#DEFINITION	Reference Metabolome for Boehmeria nivea
#IDENTTFIER	RefMeta-Boehmeria nivea.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Boehmeria nivea
#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 Boehmeria nivea was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45365	1.2
71.01385	10.5
72.99294	0.7
73.02948	1.3
81.03460	0.9
83.01402	1.4
83.05017	0.7
85.02948	3.3
87.00872	2.6
89.02449	9.1
91.04018	0.2
95.01398	1.1
95.05013	0.4
96.96002	1.1
97.02354	0.4
97.02950	5.3
97.06582	0.7
99.00879	0.4
101.02447	8.3
109.02985	0.3
109.06564	0.7
111.04537	0.2
111.08163	5.2
113.02457	4.4
119.03484	2.2
119.08642	0.3
123.04501	0.4
123.08140	0.2
125.02447	3.1
125.09739	1.2
127.07648	0.6
131.03479	0.5
137.09731	1.7
141.09245	0.2
143.03503	1.4
149.04521	0.2
151.11261	0.5
153.09242	0.4
153.12857	0.7
161.04550	2.2
162.89680	0.2
163.11307	1.5
165.09081	0.3
165.12848	3.7
167.10750	0.3
167.14397	0.2
169.05183	0.2
169.12349	2.4
171.10284	3.2
173.65649	0.2
177.12798	0.4
179.05624	2.8
179.10739	0.5
179.14412	0.5
181.12389	1.3
183.13870	0.7
185.04597	0.3
185.11784	0.4
191.14380	0.3
193.12286	0.7
193.15955	0.6
197.11833	25.0
198.12173	0.6
199.13416	1.4
207.10214	0.4
209.11815	2.4
211.13402	4.6
217.07216	0.3
217.16057	0.2
221.06551	1.1
221.11850	0.3
223.13356	0.8
225.11290	0.4
227.12900	2.5
235.08240	2.9
239.12947	0.3
245.06578	0.3
245.19019	0.2
246.55542	0.2
247.20683	2.6
253.09355	1.0
259.08328	0.2
263.07767	0.3
263.20096	1.4
265.18015	1.0
273.18640	1.7
287.07739	1.1
289.17911	0.2
291.19662	30.7
292.20068	1.5
293.21118	0.6
305.08643	1.1
309.20712	100.0
310.21051	4.1
323.09961	0.5
325.20059	0.4
333.20624	0.8
351.21854	0.4
355.42679	0.2
379.12466	1.8
380.13052	0.2
397.13504	23.6
398.13879	1.0
415.14584	12.3
416.15125	0.3
490.67731	0.2
577.25214	0.3
595.26038	0.3
597.29602	0.3
601.41248	2.8
671.33148	0.4
689.33862	4.0
707.34906	5.8
708.35614	0.6
942.63708	0.3
999.56274	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	990.6807
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05026	1.6
71.55993	0.3
78.95908	5.2
82.56676	0.2
83.05051	0.3
88.83916	0.2
96.96082	0.2
102.99785	0.2
148.45831	0.2
152.99612	1.0
164.27988	0.2
168.04349	0.8
169.39601	0.2
224.06924	2.0
236.17465	0.2
240.67068	0.2
242.07924	0.5
279.23291	21.6
280.23657	1.1
293.21088	0.2
358.07401	0.2
405.31647	0.7
407.33279	0.9
409.31555	0.3
411.32758	1.7
427.35785	1.1
439.32034	0.5
441.33710	0.7
451.32065	1.4
453.33749	16.5
454.34137	1.2
471.34802	100.0
472.35092	7.3
476.27930	0.6
485.32477	0.2
504.30981	42.6
505.31128	2.1
705.45038	0.2
931.60419	1.0
990.68103	5.1
991.68707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.592
Annotation	Unknow
Peak:m/z	Relative Intensity
70.51740	1.1
78.95905	96.0
79.62271	0.3
81.07335	0.3
92.76129	0.4
96.96008	0.4
96.96965	6.0
122.27052	0.4
124.26778	0.4
140.01186	0.6
152.99588	19.2
171.00639	21.4
196.03754	0.8
212.07693	0.5
214.04953	0.9
266.74506	0.4
279.23318	7.2
402.24335	3.2
462.02399	0.4
471.34790	0.8
476.27823	100.0
477.28110	4.6
484.70520	0.4
781.53430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5891
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	0.9
71.01019	0.5
71.01382	8.6
71.55009	0.6
72.99301	0.6
73.02929	1.6
81.03445	0.6
83.01370	1.1
83.05028	0.7
85.02954	2.0
87.00856	2.5
89.02441	7.7
91.03967	0.5
93.03442	0.2
95.01371	0.7
96.95956	0.5
97.02951	1.8
97.06581	0.3
99.00862	0.8
99.08143	1.9
101.02438	7.1
111.08157	0.4
113.02443	3.9
113.09721	1.8
115.07735	0.2
119.03505	2.3
124.94775	0.3
125.02451	3.7
127.07681	0.4
127.11275	0.5
129.09222	4.4
131.03442	0.5
133.05060	0.3
133.32080	0.3
139.03941	0.3
139.11267	0.6
141.09274	0.3
143.03563	1.3
151.11258	0.9
153.12790	0.5
155.10725	0.5
161.04520	2.2
163.11215	0.6
167.10744	0.7
167.14430	0.3
169.12308	1.9
171.10266	3.6
177.12958	0.3
179.05612	2.1
179.51221	0.3
181.12337	4.2
183.10132	0.3
183.13887	2.1
185.11781	0.5
193.12280	1.5
197.11800	6.0
198.07933	0.3
199.13379	3.1
201.11333	0.6
211.13388	12.6
212.13770	0.6
219.05196	0.3
221.06625	0.8
231.21214	0.4
235.08202	4.2
253.09207	0.9
265.21811	0.5
275.20114	1.3
277.21701	22.2
278.22052	0.8
287.07770	1.5
293.21225	8.4
294.21576	0.4
305.08810	2.3
311.22253	100.0
312.22598	4.4
323.09702	0.5
353.41644	0.3
397.13477	44.2
398.13763	1.7
415.14539	14.7
416.14902	0.4
518.90967	0.3
583.29456	0.3
675.35999	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	987.5891
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	0.1
70.77557	0.2
71.01384	1.7
72.99310	0.1
73.02953	0.2
81.03445	0.2
83.01392	0.2
83.05053	0.2
85.02934	0.4
87.00864	0.3
89.02448	1.4
95.01400	0.2
95.05037	0.1
97.02947	0.2
97.06580	0.3
99.00893	0.1
99.08157	0.5
101.01802	0.1
101.02446	1.6
111.08187	0.1
113.02448	0.7
113.09731	0.7
114.70799	0.1
115.07647	0.8
119.03461	0.4
125.02444	0.4
126.06844	0.1
127.07651	0.4
128.08450	0.4
129.09233	0.6
137.09676	0.2
139.11298	0.2
141.09212	0.2
143.03537	0.2
154.09975	0.1
155.10809	0.2
160.07469	0.1
161.04555	0.3
165.12874	0.2
167.10722	0.2
167.14401	2.2
171.10220	0.2
177.12839	0.2
179.05655	0.2
181.12297	0.5
183.13887	1.7
185.34811	0.1
193.12315	0.2
195.13899	8.6
196.14296	0.2
197.11829	0.5
199.13445	0.2
211.13390	2.2
211.15433	0.1
213.14987	0.8
235.08215	0.6
239.23837	0.2
241.14470	0.2
242.15239	0.8
247.20633	0.1
249.22231	0.5
253.09258	0.1
265.21722	0.7
267.23322	0.5
275.20087	0.5
277.21692	3.8
278.22037	0.4
281.21411	0.1
283.22812	0.3
287.07819	0.1
291.19666	0.2
293.21219	7.0
294.21478	0.4
305.08734	0.4
309.20703	0.7
310.20975	0.3
311.22266	100.0
312.22598	3.7
317.69431	0.1
323.09683	0.1
397.13498	6.8
398.13791	0.6
399.14041	0.3
415.14587	2.4
416.14957	0.2
542.74512	0.1
675.35614	0.5
677.36908	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	985.6622
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22659	0.2
69.23077	0.6
71.01379	0.2
71.05023	1.1
73.58185	0.1
83.05051	0.1
89.02478	0.1
97.06570	0.2
101.02464	0.1
103.84698	0.1
109.99783	0.1
111.08263	0.1
123.86271	0.1
152.10817	0.1
166.94292	0.1
171.87082	0.1
187.99466	0.1
197.11755	0.1
211.13440	0.2
235.08324	0.1
253.09450	0.4
277.21738	2.2
278.22375	0.1
291.19659	0.1
291.53934	0.1
292.20148	0.2
293.21277	0.5
294.21527	0.4
295.21887	0.2
309.20834	0.5
310.21033	0.4
311.21622	0.1
327.46753	0.1
339.05695	0.1
359.43137	0.1
373.25357	0.2
391.30109	0.2
393.31281	0.1
397.13364	0.1
398.14221	0.1
399.13812	0.1
405.31732	0.5
407.33270	1.0
411.32730	1.1
415.14529	0.1
416.14767	0.1
427.35812	0.7
439.32199	0.4
441.33777	0.8
451.31961	0.7
453.33762	10.0
454.33997	0.7
471.34796	100.0
472.35168	6.8
513.30884	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	985.5728
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03470	0.4
71.01381	3.4
71.05022	0.2
71.12567	0.3
72.99310	0.3
73.02953	0.7
80.02707	0.2
81.03467	0.2
83.01391	0.5
83.05029	0.3
85.02943	0.9
87.00886	0.9
89.02448	3.0
93.07106	0.2
95.01381	0.4
96.96025	0.2
97.02933	0.7
97.06612	0.3
99.00907	0.2
99.39496	0.1
101.02446	2.9
109.06586	0.4
111.04506	0.3
111.08150	1.2
113.02464	1.7
113.06032	0.2
119.03516	0.9
121.10198	0.2
125.02437	1.1
125.06084	0.2
125.09720	0.7
127.07580	0.1
127.11299	1.0
129.09186	0.2
131.03522	0.2
137.06113	0.2
137.09714	0.4
139.07657	0.1
141.09195	0.2
143.03508	0.6
151.11308	0.6
152.08516	0.2
153.09201	0.8
153.12842	2.4
155.10774	0.9
161.04543	0.4
161.09706	0.3
163.11255	0.4
165.12816	0.5
167.10767	1.1
169.12344	0.6
171.10294	0.3
179.05611	0.6
179.10753	0.6
179.14430	1.2
181.12340	2.4
183.13951	0.2
189.12828	0.1
193.16031	0.6
195.13840	0.2
197.11829	2.0
199.09882	0.2
199.13376	0.8
200.10541	0.2
201.11293	0.2
207.13902	1.4
209.11826	0.3
209.15556	0.3
211.13373	0.3
213.15102	0.2
215.12874	0.6
217.15974	0.3
221.06691	0.3
225.11429	0.2
226.12096	0.5
227.12888	0.7
228.13655	0.4
231.17758	0.2
235.08211	1.3
237.22246	0.2
238.11662	0.2
245.19012	0.3
247.20647	3.9
251.20126	0.3
253.21849	0.3
263.20175	0.7
265.21622	0.5
273.18573	2.2
277.21719	8.3
278.21991	1.0
279.22263	0.2
281.21216	1.4
287.07813	0.5
289.18024	0.3
291.19644	23.6
292.20032	0.8
305.08679	0.4
307.19162	0.7
308.16296	0.2
308.19550	0.6
309.20682	100.0
310.21054	4.1
323.09839	0.2
332.62744	0.2
397.13480	14.1
398.13821	1.4
399.13953	0.5
415.14557	4.7
416.14706	0.4
575.35272	0.2
633.79169	0.2
675.36548	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5736
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03441	1.4
70.78445	1.8
71.01382	19.7
72.99297	1.9
73.02953	2.6
75.00896	0.8
80.02670	2.6
81.03458	2.6
83.01393	2.5
83.05025	7.8
84.02148	2.6
85.02945	5.2
87.00877	5.2
89.02446	16.6
93.03442	0.8
95.01397	2.0
97.02962	3.6
97.06588	1.2
99.00873	1.7
99.08159	1.2
101.02441	16.6
109.02937	0.7
109.06596	1.2
111.04481	0.6
111.08153	1.2
113.02454	9.1
115.04047	0.7
115.07650	1.4
119.03490	5.5
121.02902	0.6
123.04557	1.2
125.02448	8.4
125.09694	2.2
127.11272	1.1
127.40469	0.6
131.03459	0.6
137.09717	11.9
139.03940	0.9
139.11299	2.8
143.03427	2.7
147.83243	0.5
149.04558	0.8
151.07602	1.3
151.11241	0.9
153.09195	1.9
153.12880	0.9
155.10789	9.1
156.11143	0.8
161.04478	4.2
163.11282	0.8
167.10768	0.9
169.04993	0.7
171.10272	16.7
179.05611	3.6
181.12360	0.5
185.04611	0.8
193.12306	4.2
193.16005	0.6
197.11848	0.9
203.14680	0.5
209.11754	1.0
209.15437	0.8
211.13377	2.0
214.56769	0.7
221.06636	1.6
235.06030	1.1
235.08202	10.7
237.08360	0.5
245.19118	0.6
247.20673	2.2
253.09293	1.9
263.07797	0.6
263.20142	1.4
265.21597	1.1
273.18655	0.7
277.21713	53.2
278.22153	3.3
281.21115	0.7
287.07724	3.2
289.18045	1.0
290.18466	0.6
291.19647	18.2
292.20074	1.0
305.08783	3.8
307.19449	0.8
308.19040	0.7
309.17343	2.3
309.20673	63.2
310.21033	2.5
323.09888	1.7
379.12634	0.6
397.13495	100.0
398.13806	6.6
399.14032	0.9
415.14569	32.0
416.14966	1.4
417.14691	0.6
438.71326	0.6
675.36023	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	983.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99794	0.4
69.03461	1.8
69.58052	1.8
71.01380	22.9
71.05007	0.4
72.99297	1.9
73.02951	3.7
75.00862	0.6
81.03448	1.6
83.01377	2.5
83.05013	1.2
85.02940	5.2
87.00398	0.5
87.00879	5.8
89.02443	19.4
89.31512	0.3
91.03988	0.5
93.03431	0.5
93.06231	0.3
95.01348	1.8
95.05019	1.1
96.96021	1.9
97.02941	3.9
97.06590	4.7
99.00871	1.4
99.04568	0.5
101.02438	17.5
107.05038	0.4
109.02942	0.7
109.06592	0.9
111.00910	0.6
111.04509	1.0
111.08168	1.6
113.02446	8.4
115.03992	0.6
119.03494	6.0
121.02934	0.6
123.00891	0.3
123.04532	0.5
123.08152	0.3
124.01630	0.4
125.02435	7.4
125.09708	0.8
131.03502	0.5
133.05052	0.6
135.08118	0.5
137.09697	0.6
139.03989	0.7
143.03485	3.7
147.11810	0.4
149.04492	0.4
149.09666	0.3
151.11272	4.3
153.09134	0.6
153.12804	1.0
155.10739	0.9
161.04541	3.7
163.11273	2.0
165.12833	6.0
167.10753	0.5
168.11591	0.4
169.04994	0.6
169.12483	0.4
177.11252	0.3
177.12851	0.6
179.05612	3.9
179.10779	2.2
181.12337	7.3
191.10765	4.3
191.14384	1.0
197.11784	0.4
209.11813	23.6
210.12201	0.6
211.13356	1.3
217.07019	0.4
221.06599	1.6
225.11316	0.4
227.12950	0.4
235.08212	9.8
245.06824	0.5
245.19087	3.4
253.09288	2.3
261.18552	0.3
263.07645	0.8
263.20117	1.8
269.71115	0.3
275.20068	0.6
277.09283	0.7
277.21707	53.3
278.22070	1.7
279.19446	0.8
287.07645	3.8
289.18073	4.8
293.21210	0.4
298.37323	0.4
305.08823	4.4
307.19147	15.3
323.09702	1.4
379.12369	0.7
397.13483	100.0
398.13773	3.3
402.79932	0.4
403.07376	0.3
415.14542	33.4
416.14890	1.2
521.14746	0.4
675.35980	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	983.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99840	0.2
69.03457	2.1
71.01382	16.7
72.99332	0.9
73.02946	2.5
81.03479	0.9
83.01389	1.7
83.05058	0.7
84.02200	0.3
85.02956	4.0
85.05587	0.3
87.00875	3.5
89.02443	13.0
93.03496	0.3
95.01424	1.1
95.05042	0.5
96.96004	1.9
97.02949	6.6
97.06613	0.8
98.20641	0.9
99.00880	1.2
99.04559	0.3
101.02444	10.9
106.66160	0.2
109.02947	0.4
109.06638	0.7
111.00906	0.4
111.04556	0.5
111.08145	2.5
113.02446	6.9
115.04053	0.5
119.03493	3.8
119.04195	0.3
119.08694	0.3
123.04510	0.6
123.08186	0.5
125.02449	3.9
125.09757	1.1
127.07679	0.6
131.03546	0.5
137.06145	0.3
137.09703	1.7
139.04102	0.4
139.11348	0.3
141.01950	0.3
141.09183	0.3
143.03494	2.4
149.04579	0.5
151.11313	0.6
153.12866	0.3
161.04561	3.0
163.11279	1.4
165.09175	0.3
165.12845	3.3
167.10823	0.5
169.12312	1.4
171.10243	3.6
175.11243	0.3
177.12836	0.6
179.05626	4.3
179.10861	0.5
179.14461	1.2
181.12361	1.2
181.99802	0.3
183.13902	0.8
185.11833	0.5
191.14447	0.3
193.12364	0.6
193.15981	0.3
195.12090	0.4
195.13898	8.0
196.14494	0.3
197.11810	11.6
199.13368	0.7
205.12242	0.9
205.16048	0.6
207.10280	0.4
209.11855	1.6
211.13403	4.0
221.06670	1.8
221.54449	0.2
223.13393	6.2
225.11395	0.3
225.15002	0.5
227.12851	2.1
228.13594	0.7
229.83511	0.3
235.08232	4.3
239.12865	0.4
247.20636	2.9
251.16527	0.4
253.09290	1.0
256.13104	1.2
263.07800	0.4
263.20105	0.5
265.18295	0.3
265.21756	0.7
273.18597	1.4
275.20132	3.7
287.07736	1.0
291.19659	26.9
292.20013	1.3
293.21216	100.0
294.21564	4.0
305.08646	1.5
309.20694	70.0
310.20996	3.1
317.21387	0.3
323.09763	1.3
333.20596	0.8
351.21805	0.5
379.12320	2.1
397.13486	32.7
398.13766	1.0
415.14545	17.9
416.14902	0.4
423.32574	0.4
469.33307	0.6
585.41406	3.7
586.42047	0.4
673.34106	1.5
689.34082	2.8
691.35211	2.5
707.35004	5.8
708.35156	0.7
754.30212	0.3
983.54999	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	1.8
71.01384	13.0
71.05009	0.7
72.99296	1.1
73.02947	2.0
76.95575	0.6
78.52867	0.7
78.95882	1.5
79.45940	0.6
83.01393	0.6
83.05024	0.8
85.02954	3.2
85.04433	0.6
87.00876	3.3
89.02443	13.1
95.01376	0.9
96.96024	3.8
97.02936	5.8
97.06574	0.8
99.00854	1.0
100.41682	0.6
101.02438	11.0
109.06565	1.3
111.08161	3.0
113.02441	5.6
119.03507	3.3
119.08692	0.6
125.02454	3.4
125.09742	1.6
127.07616	0.7
137.09735	1.9
143.03476	2.0
161.04550	4.3
163.11243	2.0
165.12904	3.2
167.10843	0.8
169.12320	1.7
171.10236	3.8
177.12804	0.7
179.05591	4.5
179.14517	0.7
181.12325	1.7
193.12375	1.1
193.15926	0.8
195.13901	7.0
197.11795	10.5
205.15923	0.9
209.11780	1.6
211.13361	5.6
221.06659	1.6
223.13370	5.9
224.13759	0.7
227.12878	1.6
228.13586	1.4
235.08202	3.0
247.20689	2.2
256.13403	1.1
263.07623	0.7
263.19983	0.8
273.18521	1.0
275.20096	4.2
287.07764	0.8
291.19641	26.7
292.20053	0.9
293.21213	100.0
294.21600	5.8
295.29196	0.8
305.08746	1.5
309.20700	86.7
310.21042	4.3
323.09705	0.8
379.12332	1.7
397.13486	33.4
398.14145	1.0
415.09036	0.9
415.14551	18.1
415.19846	1.5
416.15094	0.9
469.33044	1.2
471.34845	2.2
585.41534	3.5
689.33905	3.0
691.35199	2.5
707.34656	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	981.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72735	8.4
71.01369	5.5
89.02447	4.5
89.06302	1.5
96.96011	5.2
97.06542	1.8
101.02443	2.1
111.08171	2.1
111.73727	1.4
113.02440	2.4
113.09010	2.3
113.09727	30.9
117.25327	1.6
120.72920	1.5
124.11533	1.7
131.84558	1.6
139.11311	2.0
161.04567	1.7
167.10774	5.1
177.12878	2.1
179.10765	3.5
195.13869	5.1
197.11821	3.0
249.22153	3.3
255.23256	2.4
291.19662	14.5
293.21219	90.2
294.21558	4.7
309.20743	10.5
397.13480	13.2
415.14206	3.1
455.17047	2.2
467.17291	2.9
473.18536	1.9
495.16476	8.0
497.21851	3.4
499.16132	5.6
511.12662	2.2
512.13202	3.1
523.16455	9.9
525.14563	2.3
526.14844	15.7
527.15845	5.2
527.19458	4.9
538.18658	2.2
539.16156	2.8
541.20520	4.6
553.14355	2.3
554.14240	3.1
555.13837	2.0
558.17511	3.4
567.19000	2.4
569.16620	13.1
570.14050	6.0
581.16840	2.5
583.19269	2.1
590.16156	2.5
596.19073	29.6
597.19861	23.7
598.18951	3.7
599.20972	2.0
601.23108	43.4
602.23004	4.0
612.18658	40.3
613.18762	5.6
614.19922	8.8
627.20941	20.2
628.17914	13.0
631.23975	25.6
632.22174	3.3
655.20416	69.7
656.20624	7.4
657.22284	9.1
672.20740	100.0
673.21307	9.9
673.50055	1.9
687.11115	3.7
687.22992	75.9
688.22943	8.2
704.19971	3.4
981.44904	58.7
982.45734	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	973.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	5.8
70.28967	1.1
71.01383	21.5
71.11220	1.1
71.15479	1.2
72.99319	1.6
73.02952	3.4
75.00839	1.2
81.03478	1.2
83.01362	2.5
85.02967	5.8
87.00882	5.3
89.02443	21.1
91.09563	1.1
95.01392	2.6
96.96012	12.1
97.02952	7.2
98.88112	1.5
99.00900	1.4
101.02438	14.7
111.08168	4.5
112.34437	1.3
113.02460	7.4
116.92863	2.7
119.03512	4.9
121.03045	1.6
125.02461	6.4
125.09731	1.8
135.84283	1.3
137.09752	1.7
143.03505	2.4
145.86006	1.2
153.09216	1.5
160.24088	1.1
161.04553	4.9
162.31500	1.1
163.11282	1.2
164.74637	1.1
165.12851	3.3
167.10828	3.4
169.12361	3.7
171.10329	2.9
179.05585	6.3
179.10760	1.4
179.14388	4.7
183.13947	1.9
193.15892	1.3
195.13884	9.7
197.11838	21.5
205.12349	8.4
209.11813	1.9
211.13423	4.7
221.06657	2.7
223.13388	82.1
224.13673	2.1
227.12965	2.6
235.08241	6.0
247.20728	3.3
287.07718	3.3
291.19696	31.7
292.19998	1.3
305.08820	1.4
309.20703	100.0
310.21106	3.9
323.09882	2.4
332.19382	1.2
343.83899	1.3
369.08939	1.1
379.12531	5.9
397.13507	47.3
398.13681	1.6
415.14630	15.4
515.33875	1.8
603.26367	8.8
621.27637	17.7
689.34021	9.9
707.34747	10.0
913.47760	14.4
914.48816	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	971.5948
Annotation	Unknow
Peak:m/z	Relative Intensity
67.68636	0.3
69.03455	1.0
69.78017	1.8
71.01382	14.7
72.99278	1.0
73.02944	2.3
81.03450	0.7
83.01398	2.0
85.02954	3.3
87.00867	3.2
89.02442	14.0
95.01366	0.8
95.05030	0.4
96.95980	0.8
97.02944	2.6
99.00860	0.8
101.01797	0.6
101.02442	10.2
111.08160	0.5
113.02451	5.8
119.03514	4.0
125.02446	5.7
130.74519	0.3
131.03474	0.7
141.09114	0.3
143.03436	1.7
149.04504	0.4
161.04523	3.0
169.04996	0.3
173.51537	0.3
177.12842	0.4
179.05621	2.9
179.14290	0.9
181.12344	0.4
195.13899	7.6
196.14560	0.4
205.12350	0.5
211.13483	0.5
221.06607	1.1
223.11301	0.6
223.13391	5.5
228.13663	0.8
231.21104	0.5
235.06039	0.7
235.08220	6.4
235.10431	0.7
245.06497	0.4
253.09180	0.9
256.13138	1.4
261.22159	0.5
263.07617	0.7
265.21722	0.6
275.20132	4.6
279.23285	43.5
280.23602	1.5
287.07623	1.7
293.21228	100.0
294.21512	4.3
305.08704	2.7
323.09601	0.6
397.13501	68.5
398.13861	2.1
415.14566	21.6
416.15454	0.8
563.69592	0.4
677.37506	5.7
678.37360	0.5
956.04590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5652
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	0.4
70.01731	1.3
71.01378	6.7
72.99307	0.8
73.02942	0.6
75.00822	0.3
78.95904	2.4
80.96286	0.3
83.01415	0.5
85.02944	1.3
87.00868	1.6
87.66901	0.3
89.02440	5.4
96.96033	0.6
97.02956	0.8
99.00866	0.4
100.78536	0.3
101.02440	4.8
104.33553	0.3
113.02454	2.2
119.03497	1.5
125.02460	2.4
129.01944	0.4
143.03482	1.1
152.99602	2.9
153.99918	0.4
154.99966	0.7
161.04527	1.3
171.00612	0.7
179.05586	1.6
179.14381	0.6
180.37320	0.3
188.67758	0.3
195.13876	7.5
205.12358	0.8
211.13425	0.4
221.06807	0.6
223.13408	5.0
224.13889	0.4
225.14847	0.4
228.13710	0.8
235.08232	1.7
245.04202	1.3
253.09140	0.4
253.21658	0.6
254.22264	0.4
255.23268	2.7
256.13159	1.2
256.23624	1.2
257.23846	0.5
275.20169	4.2
287.07669	0.4
293.21210	100.0
294.21469	3.9
305.08676	0.4
317.21234	0.3
323.09683	0.5
371.68594	0.3
379.12479	0.8
397.13480	15.0
415.14548	10.8
481.25644	2.3
482.25912	2.8
483.26697	3.6
484.27341	2.6
485.27374	1.8
569.41931	2.0
570.42505	0.4
673.34131	1.8
691.35083	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	969.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84940	0.6
69.85332	1.3
93.29847	0.3
96.96014	0.6
97.06594	0.3
98.77321	0.3
129.29706	0.3
195.13924	1.7
228.46515	0.3
264.27884	0.3
277.21744	1.8
295.22800	5.7
425.12274	0.3
427.13892	0.5
438.09805	0.6
441.15652	0.4
442.16611	0.7
444.13605	0.4
453.11969	1.3
454.09280	0.7
455.17297	6.5
456.17343	0.6
457.18964	3.4
458.18872	0.3
459.16565	0.8
468.10544	0.5
469.11310	1.9
470.15967	0.5
473.11935	0.5
473.18323	8.1
474.15900	1.3
475.14346	0.3
481.11560	1.0
482.12143	0.7
483.12256	0.6
485.18466	1.9
495.13464	0.5
496.13675	6.5
497.11621	1.7
497.13983	1.6
499.16165	1.0
501.17871	0.5
502.14682	0.6
510.15302	0.7
511.16306	9.8
512.13220	13.7
513.13751	2.5
515.19690	0.7
526.14972	9.8
527.07733	0.6
527.15723	12.5
528.16461	3.1
529.17169	1.2
539.19574	0.6
543.19263	1.2
555.15564	1.0
559.18152	0.8
560.15509	2.3
583.18402	5.4
584.18494	0.6
587.19489	0.7
597.19855	3.5
598.20190	0.5
599.21619	6.2
600.21429	1.0
613.19885	1.5
614.20203	100.0
615.20801	29.7
616.21582	1.8
629.22742	4.1
631.20557	0.9
645.22125	6.8
646.19202	12.8
647.19507	1.2
673.21606	4.4
674.21765	0.9
865.44781	0.9
909.42688	0.8
969.45245	3.1
970.45386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5629
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	0.2
69.03452	1.2
71.01382	22.4
72.99305	1.7
73.02953	3.6
75.00866	0.6
80.02661	0.2
81.03455	0.8
83.01384	2.3
85.02952	5.0
87.00880	4.9
87.42117	0.2
89.02444	20.7
91.04031	0.3
93.03494	0.3
95.01383	1.4
95.05018	0.3
96.95976	0.6
97.02959	4.3
97.06622	0.3
98.20642	0.6
99.00872	1.1
99.04556	0.2
101.02443	18.8
103.04051	0.3
109.02935	0.4
111.00877	0.6
111.04497	0.7
113.02446	9.0
115.04013	0.4
119.03508	6.4
121.02963	0.6
123.00864	0.3
123.91655	0.2
124.01597	0.3
125.02447	8.1
125.06067	0.3
131.03488	0.9
133.05042	0.7
139.03998	0.8
141.01985	0.3
143.03499	3.2
148.08951	0.5
149.02438	0.3
149.04489	0.6
150.10489	0.4
151.11218	0.3
161.04547	4.3
163.11264	0.3
165.12843	9.5
167.03470	0.4
169.05075	0.6
175.11275	0.2
177.12790	0.4
179.05603	4.2
185.04582	0.5
199.06172	0.4
217.07196	0.4
221.06683	1.9
229.19571	0.2
235.08228	9.0
245.06578	0.6
247.20645	4.9
248.20889	0.2
253.09242	1.7
259.20462	0.3
263.07678	0.6
273.18573	2.9
275.20172	0.2
277.21710	55.2
278.22031	2.1
287.07703	3.4
291.19653	32.9
292.19974	1.3
305.08780	4.2
323.09750	1.4
361.11511	0.3
379.12329	0.8
392.15485	0.2
397.13486	100.0
398.13882	3.1
415.14554	32.5
416.14957	1.1
675.35986	5.5
675.47003	0.5
676.36359	0.3
771.27478	0.2
953.56781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.2
69.33939	0.4
69.34343	0.1
71.01370	0.1
71.05009	0.3
72.99314	0.2
73.02951	0.2
73.50118	0.1
81.03457	0.1
83.05022	1.2
84.02168	0.7
85.02954	0.8
85.06602	0.3
95.05013	0.2
96.96011	0.2
97.02968	0.1
97.06607	0.2
99.08154	2.0
109.06550	0.1
111.00866	0.1
111.08168	0.6
113.09737	0.4
113.57931	0.1
123.08170	1.2
125.09732	0.9
129.09196	0.3
137.09735	0.8
139.07640	0.2
139.11250	0.2
141.09224	0.9
141.12839	0.2
149.09677	0.1
151.11299	0.9
151.63762	0.1
153.12849	0.7
155.10747	0.1
158.58420	0.1
161.09732	0.2
163.11285	0.7
168.27446	0.1
169.12312	0.4
171.13933	0.1
179.10759	0.2
181.12334	7.3
182.12659	0.2
187.09752	0.1
191.10733	0.1
199.13368	0.3
209.11870	0.1
225.11487	0.1
227.12874	2.3
228.13309	0.1
245.13928	2.6
263.20084	0.2
281.21262	0.1
309.20755	0.2
311.48901	0.1
327.21866	0.3
343.21262	0.2
345.22797	100.0
346.23138	4.5
485.03900	0.1
881.53314	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	963.6854
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01356	0.6
71.55720	0.2
71.56174	0.3
81.03451	5.5
83.05022	12.6
96.96002	0.7
97.02977	0.2
100.07663	0.2
101.02438	0.4
107.06116	0.4
108.04526	0.5
111.82896	0.2
113.02419	0.2
115.00307	0.2
125.07169	0.6
126.05569	0.4
143.08261	0.5
154.67535	0.2
207.15106	1.1
224.17651	2.3
225.16061	8.6
242.18748	0.5
255.33847	0.2
284.03214	1.5
291.20786	0.2
299.05533	1.4
300.05920	0.2
309.21835	0.7
333.22882	0.4
341.29111	0.7
345.16595	0.2
367.27094	1.0
433.31723	1.0
450.34357	1.0
451.32855	7.3
452.33005	0.9
458.40045	0.2
535.38440	0.3
550.43237	0.6
567.45953	0.7
593.43512	0.3
646.72552	0.2
659.48419	0.4
676.51678	0.3
677.49567	2.0
761.68237	0.2
770.80200	0.2
776.60175	0.5
885.65924	0.4
903.66425	100.0
904.66718	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	951.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	1.5
70.72607	0.8
71.01381	37.7
71.04982	0.9
71.56313	1.3
71.73663	0.8
72.99281	2.2
73.02945	12.5
77.64199	0.8
81.03477	0.8
83.01381	6.8
85.02948	14.7
87.00878	1.8
87.04500	4.2
89.02438	15.3
89.52450	0.9
94.69890	0.8
95.01378	2.3
96.96014	8.0
97.02956	2.0
99.00900	4.0
99.01444	0.9
101.01799	1.7
101.02437	26.1
101.06068	3.6
101.29945	1.0
111.00865	1.9
113.02444	16.3
115.00355	1.1
119.03504	4.8
119.82320	0.7
125.02429	3.8
131.03500	1.5
133.01385	1.5
134.03767	1.4
135.04521	1.2
135.87941	0.8
142.97823	0.8
143.03482	4.1
149.04543	0.9
159.02940	1.9
161.04536	8.0
178.02641	1.2
179.05589	2.4
179.98012	0.8
195.65192	1.0
226.57202	0.8
245.22388	0.8
255.19659	2.0
275.09167	5.4
285.03961	1.4
351.21826	1.3
381.22784	4.5
398.22092	1.0
399.23831	99.7
400.24234	6.9
417.24924	31.8
417.29306	0.6
418.25211	1.0
447.09003	1.6
447.22330	4.2
459.25974	100.0
460.26172	6.9
583.26587	0.8
693.71344	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99564	2.0
70.69057	2.0
80.96515	1.8
96.96006	7.9
97.06540	1.6
109.06571	1.8
113.09726	17.7
115.12080	1.2
139.09132	1.1
139.11263	2.0
158.68547	1.0
165.12808	1.0
167.10744	3.5
179.10718	1.4
183.13925	6.3
195.13895	5.7
199.11166	1.0
211.13371	1.5
223.13301	2.0
231.54114	1.1
249.22197	2.0
251.75388	0.9
275.20215	2.2
283.41873	1.0
293.21216	48.1
294.21686	1.7
320.88705	1.0
431.71378	1.1
441.85547	1.3
457.18945	1.3
481.11194	1.7
496.13675	6.1
497.14499	4.8
510.15515	2.4
511.16287	4.2
512.17181	1.1
513.17560	2.5
517.22192	1.1
544.16290	3.6
567.18719	2.4
571.18536	2.1
597.19830	1.8
599.21545	17.7
600.21283	2.1
600.65033	1.3
657.22095	9.3
678.90344	1.2
951.43927	100.0
952.44031	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	949.6097
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	0.7
71.01382	12.5
72.99290	0.9
73.02939	2.2
74.70313	0.2
81.03445	0.6
83.01392	1.6
83.05012	0.3
85.02956	2.9
87.00882	2.8
88.21355	0.2
89.02442	11.3
91.03984	0.3
95.01389	0.9
96.96005	0.5
97.02937	2.1
99.00870	0.8
99.04543	0.3
101.02438	9.7
102.08111	0.2
103.04056	0.2
111.04527	0.5
113.02450	5.6
113.09747	1.4
119.03513	3.0
125.02436	4.7
127.04040	0.2
131.03500	0.5
133.05048	0.4
139.03970	0.5
141.01883	0.3
143.03499	2.0
144.75842	0.3
149.04605	0.4
161.04541	2.3
179.05595	2.7
179.14372	1.0
181.12318	0.6
195.13890	13.9
196.14182	0.6
219.44214	0.2
221.06694	0.7
235.06050	0.4
235.08205	4.8
245.06621	0.5
249.68184	0.3
253.09209	1.0
255.23268	31.9
256.23608	1.0
263.07605	0.6
277.21701	12.4
278.22171	0.6
286.46133	0.3
287.07828	1.4
295.22763	100.0
296.23117	4.5
297.23453	0.3
305.08786	2.3
323.09616	0.5
366.19485	0.2
397.13477	64.6
398.13782	2.0
415.14551	18.5
416.14862	1.3
498.41702	0.3
653.37531	7.5
653.48065	0.5
654.37689	0.5
679.98193	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	15.5
71.55724	3.2
71.75269	2.9
73.02939	3.3
79.95689	3.5
85.02930	4.0
89.02413	9.8
92.92776	4.1
94.92493	3.1
96.96016	39.8
101.02445	8.8
119.03458	4.3
125.02387	3.2
172.99326	3.5
179.05608	3.7
181.12497	3.4
195.13776	3.7
197.11868	16.2
209.11925	3.7
211.13377	3.7
223.13393	49.6
291.19583	16.4
309.20700	67.8
310.21060	3.2
397.13403	35.5
397.24408	3.1
415.14539	9.2
570.51038	3.6
603.26385	10.5
621.27570	20.2
689.33862	10.7
707.34650	15.5
913.47961	34.3
914.47681	5.4
949.45490	100.0
950.46539	16.6
970.49097	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	939.6418
Annotation	Unknow
Peak:m/z	Relative Intensity
70.62752	1.1
71.01386	1.0
83.05024	0.8
96.95995	1.2
101.02454	0.5
108.78810	0.3
114.46059	0.3
115.00346	0.5
132.21829	0.3
133.03027	0.4
134.03716	0.5
135.04541	0.4
156.51752	0.3
166.42549	0.4
178.02795	0.5
213.11327	0.6
231.10153	1.1
263.72720	0.4
275.09250	2.7
284.03262	3.0
299.05588	5.5
300.05756	0.6
903.66614	2.1
939.64142	100.0
940.64233	11.4
940.83423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.7028
Annotation	Unknow
Peak:m/z	Relative Intensity
65.88646	0.2
69.33978	0.4
69.34380	1.3
71.05010	0.7
84.84028	0.2
94.10715	0.2
96.96013	2.6
98.19921	0.5
98.69318	0.2
138.31224	0.3
175.30186	0.2
244.25931	0.2
295.22839	0.3
411.32819	0.4
427.36078	0.6
444.55829	0.2
451.32065	0.5
453.33743	7.0
454.33932	0.7
471.34772	100.0
472.35098	8.7
889.81323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5944
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01885	0.2
69.03451	1.3
69.68340	1.1
71.01383	21.5
72.99320	1.8
73.02946	3.5
75.00871	0.6
79.24866	0.2
80.45850	0.2
81.03458	0.9
83.01392	2.5
83.04984	0.3
85.02956	4.5
85.06616	0.2
87.00870	4.8
89.02444	20.0
89.78536	0.2
91.04019	0.5
95.01382	1.3
97.02950	4.0
97.06583	0.3
99.00855	1.3
99.04533	0.2
101.02442	16.7
109.02973	0.4
109.06615	0.4
111.04550	0.5
111.28047	0.2
112.01642	0.2
113.02449	8.5
113.09731	9.6
115.03996	0.5
119.03494	5.5
121.02964	0.4
124.01651	0.2
125.01521	0.4
125.02451	7.9
129.02032	0.2
131.03488	0.8
133.05040	1.0
137.02437	0.4
139.04012	0.5
139.11256	1.2
141.01953	0.5
143.03503	3.4
149.04552	0.6
156.12280	0.2
161.04546	4.0
167.03520	0.4
167.10796	1.3
169.05003	0.4
171.10274	0.2
179.05611	3.6
179.10806	1.2
185.04536	0.4
195.13820	1.4
199.06006	0.3
217.07109	0.6
221.06718	1.4
235.08229	8.7
245.06598	0.4
249.22198	1.1
253.09279	1.4
255.23285	58.3
256.23602	2.5
259.07968	0.2
263.07669	0.8
275.20227	0.6
277.09195	0.4
287.07687	3.2
293.21222	52.2
294.21545	1.9
305.08701	3.4
306.09076	0.2
323.09494	1.0
379.12448	0.5
397.13486	100.0
398.13818	3.8
415.14554	29.1
416.14734	1.0
630.35425	0.2
653.37524	10.4
654.38245	0.9
741.38031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
70.29321	1.5
71.01385	12.9
71.05016	1.0
72.99319	0.5
73.02944	4.6
77.87545	0.4
81.03465	0.8
83.01389	1.2
85.02945	5.2
87.00842	0.7
89.02441	4.4
95.01394	1.4
95.04996	0.6
96.96018	1.3
97.02939	1.3
98.20554	0.5
99.00871	2.0
101.02441	5.4
109.06596	0.8
111.04523	1.0
113.02448	6.9
116.93491	0.5
119.03513	0.9
122.03654	0.4
123.08204	0.6
125.02440	1.0
125.33860	0.6
129.86534	0.4
133.01451	0.5
137.09715	0.8
138.06873	9.8
143.03465	0.7
149.04530	0.5
153.09213	29.6
161.04565	3.2
163.11293	0.7
179.05663	0.5
207.13844	3.1
225.14963	42.2
226.15295	1.5
257.69424	0.5
369.19177	37.9
370.19528	1.7
387.20178	7.7
406.10217	0.5
429.21280	100.0
430.21661	6.0
463.21838	8.1
464.22223	0.7
583.90643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93846	0.1
69.03440	0.2
71.01368	0.7
71.24890	0.3
85.02948	0.1
89.02450	0.3
101.02436	0.5
111.08163	1.8
111.23154	0.1
112.90778	0.1
113.02464	0.2
119.03482	0.1
125.02386	0.2
134.03726	0.6
153.09164	0.2
165.12840	22.9
166.13232	0.8
169.12387	0.1
176.83533	0.1
178.02664	0.2
181.12318	0.3
183.13892	97.1
184.14226	3.0
184.15866	0.2
191.10777	0.2
197.11809	1.7
199.13335	0.1
208.69583	0.1
209.11801	1.6
211.13342	0.3
227.12875	100.0
228.13203	3.1
275.09277	1.0
291.19608	0.5
292.93338	0.1
309.20685	4.5
309.24216	0.2
310.21133	0.2
371.48169	0.1
397.13461	1.4
415.14590	2.1
528.49988	0.1
707.35278	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.6953
Annotation	Unknow
Peak:m/z	Relative Intensity
68.83243	0.6
69.35583	4.1
69.36007	1.4
110.96248	0.7
111.95825	0.7
112.78258	0.6
139.91725	0.7
407.33276	1.5
455.35303	95.3
456.35681	8.3
474.42627	0.7
589.59729	0.8
607.27734	0.8
933.69562	100.0
934.69769	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	923.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
64.94997	0.1
65.00053	0.1
65.00352	0.3
69.25011	0.2
69.25417	0.5
73.02928	0.2
83.01374	0.2
89.04118	0.1
96.95952	0.1
101.02415	0.2
107.01357	0.3
118.78535	0.1
132.02170	0.1
133.03006	0.3
134.03711	0.4
148.01642	0.1
151.00394	0.9
172.59311	0.1
183.04433	0.2
187.04228	0.1
200.04765	0.1
211.03946	0.3
212.04875	0.1
216.04245	0.1
221.29131	0.1
227.03464	0.4
228.04362	0.1
239.03535	0.1
255.02974	3.4
256.03726	1.9
257.04260	0.1
268.03754	0.2
269.04483	0.3
283.02493	2.0
283.05939	0.3
284.03238	72.2
285.03601	3.2
297.04102	1.3
298.04724	0.4
299.05585	100.0
300.05920	5.0
313.07056	0.2
326.04288	0.1
341.06522	1.0
446.08606	0.8
447.09216	0.1
461.10843	3.8
462.11301	0.3
769.53479	0.1
869.35883	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	921.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	1.9
69.25111	3.9
69.25538	1.9
71.01006	1.1
71.01381	18.2
72.99300	1.7
73.02932	3.8
80.02676	0.8
81.03443	1.3
83.01382	1.9
83.05000	0.7
85.02946	3.7
87.00874	3.5
89.02448	15.6
94.53978	0.6
95.01408	1.5
95.05035	0.7
96.96017	2.0
97.02950	8.0
97.06602	1.0
99.00862	1.0
101.02454	12.6
109.06568	0.9
110.70190	0.6
111.08170	1.6
113.02470	6.8
115.00358	0.7
119.03517	3.8
120.05838	0.7
123.04542	0.6
123.08195	1.0
125.02450	4.9
125.09679	0.7
135.08168	7.7
137.09724	25.4
137.15512	0.6
141.01987	0.7
143.03508	2.3
151.11272	0.6
161.04579	3.1
163.11250	2.4
165.09157	0.7
165.12849	5.4
169.12321	0.9
171.10300	5.1
179.04099	0.5
179.05615	3.3
179.14371	1.2
180.81502	0.6
181.12376	0.9
183.13881	1.4
185.11697	0.8
193.12392	0.9
193.15942	0.7
197.11746	2.8
207.10220	0.8
208.74226	0.8
209.11874	2.9
211.13354	2.8
213.11349	3.2
214.11848	0.5
221.06589	1.3
223.13382	1.4
225.11360	1.0
227.12878	3.4
235.08269	3.9
247.20670	3.4
253.09308	1.3
273.18579	1.2
287.07739	1.0
291.19656	30.5
292.20074	1.5
293.52805	0.7
301.81876	0.7
305.08841	1.4
309.20709	100.0
310.21182	5.0
310.72183	0.6
323.09650	0.7
397.13492	51.5
398.13843	2.1
415.14569	39.2
416.14734	1.5
461.10266	0.6
672.07007	0.7
707.34985	14.3
708.35199	1.3
742.72784	0.6
756.83002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00552	6.7
71.01378	64.1
73.02943	24.9
83.01379	6.3
85.02943	33.2
89.02441	11.0
95.01398	6.8
96.96010	11.3
99.00864	8.3
101.02448	47.1
113.02457	23.7
115.00303	5.2
119.03464	4.4
135.04527	10.2
159.03012	5.6
161.04564	21.0
177.01826	3.6
179.03484	6.4
211.17029	4.4
230.92747	3.5
231.36198	3.1
268.03802	10.5
269.04593	4.1
285.03925	6.4
371.14832	4.3
373.22314	61.4
374.22736	5.1
379.40750	3.5
415.23370	100.0
416.23563	5.7
431.09723	9.3
437.66663	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	1.2
70.34009	0.4
71.01381	39.6
72.01732	0.6
72.99308	1.7
73.02946	51.1
75.00879	1.4
81.03473	0.5
83.01383	16.6
85.02946	6.3
87.00870	1.6
89.02438	8.8
95.01394	2.5
96.96021	0.6
97.02972	0.9
98.19791	0.4
99.00871	0.6
101.02441	46.0
102.02780	0.6
113.02448	18.5
113.32749	0.4
119.03509	5.9
125.02461	2.1
131.03502	4.6
134.03622	0.5
135.04507	0.5
143.03500	5.5
149.04547	9.1
155.03487	1.8
161.04553	16.5
203.05566	2.0
221.06677	6.0
230.39316	0.6
252.73044	0.4
255.02971	32.6
256.03531	1.9
269.04465	2.0
281.11880	0.4
283.02478	22.9
284.03241	21.5
285.03897	1.7
297.04065	5.8
298.04803	10.3
299.05591	25.4
300.05841	1.2
313.03568	2.2
371.21179	0.4
413.21814	1.4
446.08514	18.0
447.08972	1.0
461.10873	100.0
462.11258	6.8
473.52499	0.4
572.62952	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.308
Annotation	Unknow
Peak:m/z	Relative Intensity
66.21700	0.8
69.03440	1.7
71.01379	44.0
71.55431	1.8
72.99306	2.5
73.02945	37.3
73.03362	1.9
75.00877	1.5
80.21913	0.9
83.01380	12.4
85.02952	11.2
87.00874	1.3
89.02450	11.9
95.01373	3.4
96.67821	0.8
96.96008	6.3
97.02936	1.9
99.00848	1.3
101.02441	43.9
105.11050	0.8
111.19806	0.9
113.02451	32.0
119.03519	7.2
125.02396	2.4
131.03494	6.7
137.09619	1.1
143.03503	5.4
145.67523	0.8
147.03047	1.3
149.04559	9.8
155.03485	1.2
161.04552	24.7
189.12819	11.0
203.05574	2.1
221.06656	7.7
229.66574	1.0
255.02925	2.4
256.03769	1.2
284.03232	56.0
285.03677	4.4
299.05585	100.0
300.05902	5.2
308.02576	1.0
407.66656	1.0
411.20102	6.5
413.84189	1.1
415.23230	1.8
461.10803	2.0
671.13617	0.9
898.39563	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	3.6
69.36611	3.2
69.37014	1.0
71.01379	74.5
72.01720	0.7
72.99300	2.6
73.02944	100.0
74.03273	0.7
75.00864	1.7
75.02386	0.5
81.03448	0.9
83.01382	31.3
84.63015	0.5
85.02950	10.6
87.00870	2.1
89.02441	14.2
95.01382	3.6
96.96021	0.7
97.02950	1.9
99.00864	1.2
101.02440	90.7
101.08805	0.5
102.02758	0.5
113.02446	36.6
119.03511	11.5
125.02448	3.8
131.03500	11.1
143.03490	10.5
147.03011	1.2
149.04546	20.9
152.46170	0.5
155.03476	3.1
161.04547	36.7
162.04782	0.5
189.28191	0.5
191.05618	0.7
203.05602	5.6
221.04535	0.9
221.06639	14.5
222.07063	0.6
382.90048	0.5
413.21875	0.8
431.09189	0.5
899.30975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
64.62800	1.0
69.03448	2.4
71.01384	16.4
71.55737	1.7
72.99297	1.9
73.02964	1.5
83.00626	1.1
83.01393	2.4
85.02962	3.7
87.00871	2.3
89.02441	12.9
95.01385	1.3
96.96012	4.1
97.02951	3.1
99.00858	1.5
101.02439	13.0
109.02976	1.2
111.08156	7.5
113.02455	8.2
119.03493	4.2
119.22517	1.1
125.02448	4.4
135.04459	1.2
143.03484	2.0
161.04468	2.2
167.10771	2.8
177.12831	1.7
179.05638	3.0
179.10776	2.5
195.13963	6.2
209.12000	1.6
211.13422	2.1
223.13356	12.8
224.13698	1.4
235.08167	4.1
247.20720	1.5
253.09145	1.9
291.19656	100.0
292.19901	5.6
397.13510	51.0
398.13742	2.9
415.14526	22.8
416.15009	1.9
475.70633	1.2
689.33862	32.5
690.34052	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	911.7135
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81461	0.3
69.35128	0.4
71.54810	0.6
73.84227	0.4
88.65177	0.4
108.73345	0.4
124.51669	0.4
160.73264	0.4
167.08464	0.4
277.21622	1.1
291.88739	0.4
455.35287	100.0
456.35687	7.4
505.35782	0.4
618.02075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	6.0
71.01378	21.8
71.01775	1.1
71.05005	1.1
71.25579	0.6
71.55253	0.9
71.55666	0.7
72.99302	1.6
73.02941	2.8
81.03448	1.2
83.01374	2.4
83.05019	1.2
85.02956	6.1
87.00877	5.1
89.02446	19.6
95.01370	1.7
95.05017	1.0
96.96019	2.0
97.02952	7.6
97.06611	1.1
101.02441	16.8
106.76800	0.6
109.06562	1.1
111.08155	5.7
113.02450	10.5
119.03512	5.3
121.47099	0.6
125.02447	5.9
125.06033	0.8
125.09739	1.8
131.03455	1.4
137.09717	1.6
139.03941	0.7
141.53859	0.6
143.03487	2.9
149.09744	0.7
151.11259	1.2
161.04521	3.5
161.09724	0.8
163.11269	2.2
165.12880	3.5
167.10733	4.2
167.31792	0.7
169.12369	1.6
171.10269	5.5
179.05606	5.5
179.10754	1.4
179.14391	3.6
181.12247	2.0
183.13893	1.1
193.12352	0.8
195.13896	11.2
197.11819	25.9
199.13463	1.4
205.12352	8.2
209.11768	2.7
211.13423	6.6
221.06674	3.1
221.11848	1.1
223.13382	86.1
224.13710	3.8
227.12827	3.3
229.19804	0.9
235.08226	6.0
239.13159	0.6
247.20654	3.1
253.09210	2.2
263.07675	1.0
263.20212	1.3
273.18542	1.5
287.07678	0.7
289.17932	1.2
291.19662	31.0
292.19977	2.3
293.21030	1.0
299.24078	0.7
305.08664	1.9
307.19055	1.7
309.20706	100.0
310.21060	6.2
323.09952	1.6
325.20203	1.1
327.21704	3.1
379.12326	3.5
397.13477	46.5
398.14001	2.2
415.14542	16.7
515.33795	2.2
603.26556	6.7
621.27667	11.3
662.07129	0.9
689.33667	4.3
707.34857	6.2
913.48383	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	911.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86021	0.7
71.01380	10.6
71.01719	0.1
71.01953	0.2
72.99306	1.1
73.02941	0.5
77.52779	0.2
79.39885	0.1
83.01381	0.8
85.02942	2.0
87.00874	0.3
87.04481	0.2
89.02441	9.2
90.02776	0.2
95.01379	0.7
95.05028	0.2
96.96046	0.2
99.00879	0.3
101.02441	6.9
113.02444	4.0
119.03505	3.5
131.03506	0.4
137.09721	1.0
138.01970	0.8
143.03490	0.3
147.08131	0.4
155.10773	10.8
156.11090	0.2
161.04608	0.4
163.11276	11.5
164.11618	0.5
165.05583	0.2
165.09248	0.2
179.05600	1.3
181.08696	0.2
199.09744	14.7
200.10071	0.5
207.10262	1.6
225.11320	0.5
241.10788	0.5
284.12839	0.2
318.71570	0.2
361.15018	10.4
362.15356	0.5
387.16580	100.0
388.16919	5.8
554.41357	0.2
580.55438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.6481
Annotation	Unknow
Peak:m/z	Relative Intensity
67.43890	0.2
69.92757	0.2
71.01387	0.9
71.05029	0.3
71.55260	0.2
71.62397	0.2
73.02946	0.7
81.03442	1.0
83.05024	2.5
85.02953	0.4
89.02428	0.4
96.96023	0.5
97.06585	0.2
101.02444	0.6
113.02474	0.4
123.08188	0.3
125.09704	1.6
127.11292	2.5
135.04523	0.2
142.71777	0.2
143.10771	0.2
151.00407	0.2
155.14420	0.6
163.17177	0.2
165.12830	0.6
167.14391	1.6
171.10287	2.7
181.12331	0.2
183.13881	1.0
193.12346	0.6
207.15199	0.3
209.11823	2.2
211.13387	7.8
212.13757	0.3
215.08806	0.2
224.17577	0.2
225.16058	1.8
229.14427	100.0
230.14809	3.2
255.03053	0.2
284.03070	0.3
341.85495	0.2
367.27731	0.2
380.44186	0.2
426.98337	0.2
449.14786	0.3
451.32599	1.1
461.10828	0.6
535.32928	0.3
550.42847	0.2
659.48218	0.3
664.22668	0.2
677.49646	36.5
678.49841	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	907.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
70.33050	0.4
70.33411	0.4
71.01382	0.3
80.96527	0.2
96.96029	0.4
111.08180	1.2
134.03696	0.2
135.04495	0.2
151.76137	0.2
165.12846	20.6
166.13159	0.9
183.13898	83.1
184.14236	3.0
209.11827	1.5
227.12886	100.0
228.13219	3.8
240.89487	0.2
334.72223	0.2
357.84076	0.2
365.90787	0.2
375.90268	0.2
403.10645	0.2
419.08740	0.2
438.39960	0.2
517.31494	1.1
558.32904	0.2
870.80902	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78811	8.1
71.01387	2.7
74.02474	4.6
84.04574	2.3
87.05642	9.6
88.04028	4.3
89.38136	2.0
95.68175	1.6
98.02509	2.9
98.06124	3.3
100.04053	13.7
101.02433	3.0
102.05706	1.8
108.02178	3.2
110.06110	2.6
112.04037	6.3
113.03603	2.0
116.39275	1.9
124.04056	6.3
124.07690	2.0
126.05570	1.9
127.05103	5.2
127.08787	4.2
128.03546	18.3
128.07130	2.5
129.06721	2.8
136.04112	2.1
138.05634	2.6
139.08788	5.0
141.06664	4.4
142.05035	4.1
143.08232	2.1
152.01166	2.2
154.09833	4.4
156.11366	3.0
166.05080	3.7
167.08195	2.5
171.07776	4.1
172.10933	2.1
185.09270	3.0
189.08781	4.5
194.12953	2.1
195.25737	1.8
197.95483	1.8
202.07265	4.8
202.11961	14.1
226.12132	2.7
238.11975	6.7
246.10910	4.1
269.16193	2.7
282.10901	4.6
285.06018	3.6
313.15326	4.0
357.14078	4.9
412.22302	2.0
526.80591	2.1
548.20648	3.0
888.34943	8.8
889.35864	2.1
906.35779	100.0
907.36151	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	903.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01008	0.9
71.01380	15.5
71.54935	0.6
71.55318	0.6
73.02940	8.5
83.01379	1.9
85.02952	8.0
87.00840	0.5
89.02455	2.9
95.01380	1.3
96.96005	1.9
97.02936	0.9
99.00893	4.9
99.19636	0.5
101.01788	0.9
101.02435	12.4
107.04984	0.8
112.01671	0.6
113.02441	7.8
113.48309	0.5
125.02470	1.2
126.49256	0.5
126.81385	0.6
131.03476	0.7
143.03481	1.2
159.02946	1.6
161.04559	10.7
183.72073	0.6
203.07066	0.5
251.09117	0.7
269.10291	13.1
294.17242	0.6
311.11508	2.4
383.13434	0.8
401.14502	11.8
402.14944	0.6
415.15915	1.0
443.15540	100.0
444.15851	7.4
480.21933	0.6
937.88763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	2.7
71.05009	1.2
71.55002	0.3
73.02944	0.4
84.62963	0.3
85.02943	0.6
89.02444	1.7
96.96021	0.7
101.01846	0.3
101.02422	1.5
108.45992	0.3
109.56506	0.2
113.02457	0.7
115.00344	0.3
133.01427	0.4
134.03706	0.5
178.02699	0.3
220.73312	0.2
221.07983	0.4
231.10133	0.3
275.09308	0.3
293.10159	0.5
304.76358	0.3
377.28616	0.6
395.29510	0.4
400.53461	0.3
419.29846	0.4
437.30566	4.1
441.29813	0.4
455.31677	3.5
456.32016	0.5
469.29456	0.4
471.30905	0.3
499.30804	3.3
500.30869	0.4
509.28156	0.3
517.31671	100.0
518.32025	9.6
559.32776	4.8
560.33020	0.7
589.33978	0.7
679.36957	44.9
680.37164	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	900.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
65.93295	13.2
69.29951	76.6
69.30371	27.0
71.01384	23.8
74.64428	12.8
78.95884	15.9
79.95732	43.6
80.96507	92.1
92.31511	12.8
94.98098	27.1
96.96014	100.0
158.91516	13.8
191.40024	12.2
197.11725	17.9
211.13441	18.5
225.00638	24.1
246.32442	14.3
264.39249	12.2
309.20697	18.8
310.21014	19.5
311.22028	17.7
316.55313	12.5
471.34576	89.3
472.35147	75.5
568.90076	15.8
747.49237	13.8
826.48761	30.2
900.45154	82.4
901.45184	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.522
Annotation	Unknow
Peak:m/z	Relative Intensity
63.07591	0.6
63.52103	0.6
69.03482	1.4
69.33350	0.6
70.75999	2.0
71.01369	3.7
81.03464	0.6
83.05068	0.8
85.02931	0.9
89.02448	2.3
89.94071	0.6
96.95988	1.8
97.02950	5.0
97.06596	0.6
101.02441	4.1
109.06538	1.0
109.85492	0.6
111.08157	2.7
113.02438	1.8
119.03496	0.8
119.08678	0.7
125.09710	1.7
137.09718	2.1
151.11337	0.8
161.04529	1.4
163.11252	1.5
165.12852	4.8
167.40442	0.6
169.12318	0.9
171.10258	4.8
172.90588	0.6
179.14465	0.9
181.12312	2.6
183.13872	0.7
191.14471	0.9
193.12309	1.1
197.11833	10.4
199.13417	1.0
209.11827	2.3
211.13417	5.0
223.13336	1.0
227.12933	3.6
234.05908	0.6
235.08234	1.8
247.20552	3.7
253.09283	16.6
254.09637	0.9
265.14606	0.8
273.18524	1.5
291.19641	43.0
292.19937	2.5
293.21121	0.7
302.88089	0.6
309.20694	100.0
310.21063	7.0
527.28882	1.6
545.29639	6.7
601.41168	2.4
786.09796	0.7
897.41852	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00339	0.2
71.01382	0.5
73.02921	0.3
74.55357	0.2
74.91663	0.2
83.01405	0.4
85.02943	1.1
93.03458	0.4
93.07786	0.2
98.20642	0.5
101.02427	0.5
107.01379	0.3
112.96783	0.2
113.02438	0.4
117.03455	0.4
149.02458	0.6
151.00343	0.7
155.03522	0.2
156.05779	0.2
191.01939	0.5
201.11339	0.2
239.03494	0.6
240.04327	1.0
242.71916	0.2
267.03085	0.3
268.03741	46.6
269.04486	19.1
270.04947	1.2
283.05945	0.3
311.05630	0.7
338.71890	0.2
341.06558	0.2
389.25458	0.7
431.09790	100.0
432.10107	8.2
467.15546	0.3
470.85361	0.2
505.60568	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
65.14236	11.5
71.01388	14.8
71.09380	22.0
78.65674	9.8
78.95901	27.0
79.95734	21.4
80.96512	91.2
92.29094	9.2
94.98082	19.0
96.96010	100.0
127.22036	10.2
148.99069	13.0
164.98593	14.0
171.10231	16.3
197.11794	22.8
211.13455	10.0
225.00652	12.0
253.09151	14.3
291.19464	16.9
292.19839	10.9
293.21228	10.4
309.20737	37.4
310.21057	32.9
311.04001	10.7
311.21774	15.5
312.21869	9.4
366.93225	11.6
446.20807	10.2
762.18396	12.6
826.48926	50.1
900.45166	26.7
901.45978	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99564	2.8
69.03448	1.4
69.23064	5.4
70.11012	0.5
71.01369	3.2
73.02957	0.6
80.96510	1.1
81.03400	0.7
82.73153	0.6
83.05039	1.2
85.02929	1.0
87.00899	1.1
89.02441	2.1
97.02938	4.6
97.06590	1.4
98.20683	1.2
101.02417	3.3
109.06603	0.7
111.08133	2.7
112.98540	3.4
113.02431	1.9
119.59615	0.6
125.09759	1.5
127.11300	0.6
137.09702	2.2
161.04561	1.5
163.11270	1.5
165.12840	5.2
165.44791	0.6
169.12360	1.3
171.10234	5.1
179.14349	1.4
181.12312	1.3
183.13910	1.5
185.11784	0.6
193.12306	1.5
197.11804	11.8
198.12241	0.7
199.13237	0.9
207.10245	0.7
209.11839	2.5
211.13351	3.6
223.13338	1.1
227.12885	2.7
235.08244	2.5
247.20654	4.3
253.09277	19.4
263.20139	0.8
273.18588	1.6
291.19641	39.4
292.20068	1.9
293.21164	1.4
309.20691	100.0
310.21106	5.4
527.28503	1.4
545.29572	6.5
546.30017	1.0
601.41010	2.5
897.43225	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99798	0.3
69.03421	2.2
71.01385	14.3
71.05025	0.8
72.99306	1.5
73.02952	1.5
75.00876	0.3
81.03458	0.7
83.01382	1.8
83.05009	0.3
84.30326	0.3
85.02951	3.2
85.06565	0.4
87.00881	3.4
89.02447	11.2
93.03465	0.4
95.01379	0.7
95.05035	0.7
97.02957	2.5
99.00894	0.9
101.02449	9.4
101.13050	0.3
111.08174	0.5
113.02460	6.1
115.66045	0.3
119.03513	3.2
125.02462	3.3
125.09660	0.4
131.03476	0.6
133.05031	0.3
137.42619	0.3
139.04015	0.6
141.09196	0.5
143.03496	2.2
149.04463	0.3
149.09715	0.6
153.09222	0.4
161.04587	2.7
161.13376	0.4
167.10780	3.0
171.10246	0.4
177.12811	0.7
179.05618	4.2
179.10793	1.4
179.14415	3.0
181.12372	0.3
195.13902	15.3
196.14507	0.6
197.11916	0.3
205.12328	7.5
206.12796	0.4
211.13402	1.0
221.06648	1.6
223.13394	69.7
224.13773	2.9
225.15051	0.5
228.13644	0.7
231.21111	0.5
235.08218	4.2
253.09277	1.3
256.13132	1.2
259.33783	0.3
263.07767	0.5
265.14551	0.3
265.21643	0.4
275.20184	4.8
287.07693	0.7
289.18115	1.1
290.18347	1.1
291.19797	1.5
292.19815	0.6
293.21231	100.0
294.21555	5.1
305.08710	1.3
309.20584	1.9
310.21066	1.0
317.21277	0.6
323.09830	1.1
379.12473	2.8
397.13501	32.7
398.14066	1.4
415.14581	13.3
416.15182	0.4
499.34451	1.0
603.26703	5.8
604.26288	0.4
621.27631	12.3
622.28180	1.0
649.62134	0.3
673.34790	1.8
691.35632	3.0
897.47961	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	895.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	3.5
71.01363	9.0
71.24456	5.0
73.61778	2.4
82.09942	2.7
83.01355	2.9
85.02943	3.0
89.02447	5.0
97.02942	8.6
97.06601	3.8
101.02451	7.8
104.28549	3.1
111.08108	2.5
123.04528	3.1
125.09714	6.7
137.09688	4.4
139.54008	2.3
161.04535	3.2
163.11246	7.8
165.12756	8.5
171.10239	6.2
177.12924	3.5
181.12227	3.6
185.11798	5.3
191.14426	8.8
197.11807	14.5
209.11919	12.4
211.13287	5.3
227.12842	5.3
235.08141	6.8
237.11284	3.4
245.18936	12.1
247.20621	3.5
253.09274	24.3
263.20108	6.0
289.18079	73.4
290.18341	3.5
291.19632	51.0
307.19122	75.3
308.19449	6.6
309.20703	100.0
310.20999	6.2
763.63666	3.0
779.96436	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	889.371
Annotation	Unknow
Peak:m/z	Relative Intensity
68.50495	1.3
69.03450	2.3
71.01380	98.7
72.99305	3.2
73.02943	43.4
75.00870	1.7
83.01380	9.3
85.02952	26.7
87.00875	6.1
89.02441	60.7
95.01380	8.3
96.96011	2.4
99.00876	52.5
101.02437	50.1
109.03062	1.7
113.02448	49.5
119.03506	17.6
125.02449	3.0
131.02657	1.5
131.03502	9.7
131.04320	1.7
138.05627	3.2
143.03476	5.3
149.04547	29.0
161.04543	24.8
173.09607	2.6
179.05602	6.4
189.12823	25.1
191.05612	20.8
207.13878	3.6
233.06645	7.4
286.67130	1.5
293.08649	4.2
357.32834	1.4
369.19144	17.8
387.20215	40.1
388.20566	2.2
415.16074	100.0
416.16461	9.0
429.21252	97.3
430.21637	11.9
431.18732	2.2
443.15109	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	891.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
68.83971	0.5
70.49971	0.5
71.01382	8.3
73.02934	3.2
82.27085	0.5
83.01376	1.9
85.02953	4.5
89.02449	1.4
95.01393	0.7
96.55471	0.4
98.20664	1.2
99.00867	1.1
101.02443	6.4
107.01379	1.4
113.02426	3.8
117.03465	1.0
119.03413	0.7
125.02383	0.8
134.03706	0.4
149.02414	1.3
151.00372	1.1
159.02975	1.1
161.04521	2.9
165.24466	0.5
171.04512	0.8
197.99945	0.4
211.04007	0.9
211.16998	0.7
215.19565	0.4
239.03510	1.0
240.04279	1.5
255.37933	0.4
267.03104	0.9
268.03748	65.4
269.04501	27.2
270.04749	1.8
311.05453	1.0
373.17636	0.3
373.22278	9.1
374.22473	0.6
415.23337	11.5
415.28668	0.9
416.23584	0.7
431.09799	100.0
432.10065	7.5
433.10416	1.1
506.81622	0.6
639.62274	0.5
842.76709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5607
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	2.0
70.71448	0.8
71.12041	1.6
78.95903	20.6
80.96518	2.3
82.96097	1.1
83.05009	0.7
93.42711	0.7
99.03945	0.9
113.09709	2.7
128.28580	0.8
139.11340	1.1
152.99574	2.6
168.04347	4.3
169.12369	1.3
171.10257	2.9
179.14401	1.4
193.12260	1.6
195.13911	21.3
197.11751	1.4
199.13327	0.9
211.13452	3.8
218.49312	0.8
224.06810	3.9
228.98122	0.8
277.21710	15.8
278.22192	1.0
293.21234	6.4
295.22787	72.5
296.23035	2.8
311.22284	15.3
351.35455	0.9
447.21124	1.0
502.28970	0.8
536.30225	1.3
659.06830	0.9
743.44830	8.9
744.45496	1.3
814.52399	100.0
815.52740	16.5
828.53168	1.3
829.48834	1.3
888.48315	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	887.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.72881	0.5
69.39729	2.5
69.40143	1.1
71.01382	51.3
73.02905	0.5
75.23387	0.6
85.02944	1.0
89.02465	1.1
93.03368	0.5
96.96010	1.4
96.99284	1.0
97.06589	6.3
101.02457	1.7
105.03455	0.7
106.04250	0.9
113.02410	0.9
115.00377	16.1
129.01945	0.8
133.02966	4.7
134.03743	100.0
135.04576	9.1
137.02454	3.1
139.03981	0.6
147.03047	0.6
150.03134	0.6
161.71861	0.5
165.12842	4.0
170.63005	0.5
177.01924	9.1
178.02710	29.4
179.03288	2.0
183.13893	41.3
184.14233	1.7
187.41142	0.6
209.11794	0.9
227.12903	3.7
231.10249	4.1
253.09314	2.4
275.09250	30.7
276.09619	1.7
307.11859	96.6
308.12247	5.7
329.10632	0.7
381.87274	0.5
423.12903	6.2
463.21851	69.8
464.22256	5.0
639.36060	0.8
681.37506	1.4
708.61987	0.6
769.40991	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.545
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	21.5
68.99190	1.1
69.03462	1.8
69.23766	11.9
71.01379	1.4
77.65765	1.1
78.95911	24.0
79.95743	5.0
80.96522	9.2
94.98096	2.8
96.95998	1.8
101.02435	1.5
113.09747	1.6
124.64575	1.1
148.99138	1.2
152.99565	5.3
168.04337	5.5
169.12227	1.2
171.10280	3.8
176.90353	1.3
177.75751	1.3
178.31703	1.6
195.13911	11.9
196.14305	1.7
197.11855	3.1
209.11826	4.2
211.13365	3.8
223.13394	4.8
224.06911	1.6
225.00739	2.6
227.12820	2.0
275.20132	4.0
277.21732	5.8
291.19562	2.9
293.21255	44.0
294.21555	3.1
295.22787	16.7
296.22949	1.2
309.20819	2.4
311.22287	10.7
333.44287	1.3
343.39566	1.2
397.13321	2.5
417.08173	1.2
432.40741	1.4
455.17322	1.2
536.29999	1.6
741.43195	11.7
742.43384	2.3
812.50824	100.0
813.51251	18.5
826.52472	1.9
827.47266	1.8
848.49597	1.6
886.47119	12.7
887.47363	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	885.485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	0.3
69.03456	0.4
71.01370	1.3
71.05025	2.7
71.55158	0.2
71.55589	0.2
79.95740	0.2
80.02670	0.8
80.96497	0.2
81.03022	0.3
81.03448	1.4
83.05025	1.0
89.02449	0.3
93.03465	0.2
95.05031	1.2
96.96004	3.3
97.02982	0.3
97.06577	0.5
98.03739	0.9
101.02426	0.2
106.04227	0.8
107.05019	0.3
109.02961	0.3
109.06590	8.8
110.03761	0.2
110.06949	0.2
111.04520	3.9
111.08164	1.0
111.81952	0.2
112.05286	0.4
113.02473	0.2
120.05830	0.2
121.06585	0.6
123.04485	0.3
123.08140	1.2
127.07660	1.9
130.52814	0.2
131.63895	0.2
133.10202	0.2
135.08125	0.5
135.11772	0.2
137.06062	0.5
137.09700	0.7
141.09270	0.2
143.10782	1.2
145.06595	1.6
149.06056	0.3
149.09676	0.7
151.11308	0.8
159.08194	0.2
163.11247	1.0
167.10759	2.0
169.12363	0.2
171.10188	0.3
173.09790	0.2
177.09306	0.3
177.12877	0.4
179.10773	0.9
181.12306	0.7
191.14404	0.6
195.13884	2.6
199.09743	0.2
207.10263	2.4
207.17563	0.5
209.11896	0.2
215.14391	0.3
225.11313	1.4
229.15857	0.2
233.15433	0.2
235.13351	1.2
235.32800	0.2
243.17490	0.2
245.19107	4.9
246.19534	0.3
249.14925	0.4
251.16435	0.9
253.09241	0.9
261.18539	0.2
263.20111	0.2
271.17065	1.0
273.14987	0.5
287.16504	1.8
289.18082	100.0
290.18427	5.7
307.19144	17.4
308.19373	1.2
311.64059	0.2
340.48853	0.2
461.20297	0.8
462.20798	0.2
642.65448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5282
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	5.0
68.46561	1.1
69.88797	2.2
69.89202	4.0
71.01376	7.8
81.03435	1.3
89.02467	3.7
97.02968	4.4
101.02454	6.1
107.79424	1.0
111.08178	1.4
113.02458	3.5
137.09773	1.6
143.03571	1.1
161.04565	3.7
165.09180	1.2
165.12869	3.6
171.10278	4.0
181.12312	1.3
195.13908	8.1
197.11848	10.6
199.13306	1.0
201.11400	6.5
207.10225	1.5
209.11884	8.8
211.13330	4.9
223.13455	6.8
227.12897	3.9
235.08099	2.6
247.20715	1.9
253.09293	30.7
254.09476	2.1
255.23183	5.7
256.13116	1.8
275.20169	6.3
291.19669	29.7
293.21243	100.0
294.21622	5.2
309.20721	73.2
310.21017	5.2
397.13519	5.0
415.14645	2.0
527.28729	1.9
529.30475	2.0
545.29462	4.1
585.41785	4.0
623.92993	1.3
655.42004	1.2
881.50323	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	884.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.69483	0.6
78.95927	0.3
79.95739	0.3
80.96529	0.9
93.18071	0.2
96.96010	0.9
118.43967	0.2
157.00313	0.2
255.46951	0.2
281.89447	0.2
293.21133	0.2
294.21582	0.4
393.10522	0.2
759.79437	0.3
884.46094	0.3
885.46265	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	879.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03443	1.7
70.76371	0.9
71.01379	48.5
71.56197	1.7
73.02933	12.7
83.01397	6.4
85.02946	15.3
87.00871	1.8
89.02444	16.7
95.01385	2.2
96.95995	5.8
97.02923	1.6
99.00867	2.9
100.94341	1.2
101.02429	25.9
107.38779	1.1
113.02438	16.2
119.03474	5.5
125.02448	2.4
131.03520	2.9
131.33255	1.1
143.03418	3.4
145.68654	1.3
149.04532	3.9
155.10768	2.7
159.02966	1.9
161.04564	13.5
179.05571	4.2
199.09674	2.5
203.05618	11.4
209.15329	1.4
221.06595	1.8
231.10233	1.4
257.04062	1.2
289.16479	1.3
297.72040	1.2
349.53879	1.4
353.19577	4.0
371.20633	10.0
372.21011	1.3
377.22159	1.6
413.21774	100.0
414.22141	8.5
421.20612	20.2
422.21259	2.3
526.86511	1.6
697.59723	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	879.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84423	0.5
71.01385	7.8
71.51167	1.0
73.02940	3.4
83.01373	1.0
85.02950	5.3
89.02429	1.6
95.01380	1.7
95.05035	0.7
96.04877	0.6
96.95982	1.9
97.02961	1.0
99.00896	0.5
101.02452	5.5
102.98588	0.6
104.74242	0.6
113.02448	8.2
119.03532	0.8
123.08144	0.5
125.06069	0.8
137.09712	0.6
138.06862	2.5
139.11282	18.5
147.59143	0.5
153.09209	11.3
161.04581	2.3
163.11273	1.0
165.09140	1.3
179.10793	0.6
181.12334	11.4
182.12592	0.9
183.10252	22.4
184.10626	1.1
191.05673	0.5
193.99811	0.5
199.13370	6.1
206.99481	0.7
207.13930	1.0
225.11349	13.3
225.14920	12.8
243.12355	98.4
244.12675	4.8
250.88281	0.7
257.13950	2.2
267.07788	0.8
281.09363	1.7
285.13416	33.0
286.13763	1.4
293.09424	0.6
295.07199	0.7
296.07797	0.7
311.10349	6.5
315.14487	1.3
329.11395	2.5
340.59659	0.6
345.15472	4.4
361.22464	0.8
369.19211	8.8
370.19608	0.9
373.10431	3.0
387.16306	4.0
387.20856	0.8
405.13358	4.7
405.17630	100.0
406.17941	6.5
429.21252	24.4
430.21463	2.5
519.05664	0.6
895.48523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	0.2
62.76337	0.1
64.16228	0.1
69.03455	0.3
71.01389	0.3
71.05005	0.3
71.56313	0.2
80.72673	0.1
83.05043	0.5
85.02950	0.4
89.02450	0.1
96.95998	0.6
97.06595	0.4
99.08154	3.6
125.09733	0.9
127.11298	2.5
129.09247	0.2
137.09703	0.4
139.11284	3.5
143.10733	0.2
154.69395	0.1
155.10776	0.4
155.14391	0.6
157.12361	0.6
165.12816	0.4
167.10710	0.2
167.14401	0.8
171.10263	10.6
172.10558	0.4
173.11046	0.1
183.13879	2.8
185.11729	0.2
193.12343	1.2
197.11771	0.2
199.13431	0.4
201.11311	0.3
209.11842	1.0
210.12329	0.2
211.13376	20.4
212.13686	0.9
229.14427	13.8
230.14806	0.6
253.09309	0.3
291.19687	0.6
293.21158	0.9
309.20764	0.9
311.22198	0.9
311.25296	0.1
327.21820	1.0
328.22137	0.4
329.23291	100.0
330.23627	7.7
331.23822	0.2
340.00519	0.1
597.27051	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	875.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	5.9
70.14962	5.7
70.15353	6.2
71.01380	4.1
77.36314	2.3
78.08702	2.3
78.19924	2.6
85.02937	4.6
88.24283	2.4
89.02470	4.3
96.96009	8.2
109.06651	2.5
135.20279	2.6
171.10277	6.8
195.13815	2.9
195.41524	2.7
211.13396	10.1
223.13368	3.1
229.14320	5.9
235.08189	7.9
253.09297	49.8
291.19656	5.9
293.17932	5.3
293.21225	100.0
294.21597	6.6
309.20755	10.6
327.21716	83.6
328.22113	7.2
358.64987	2.9
361.73071	2.5
529.30115	8.8
545.29797	8.6
563.30737	28.3
603.42096	7.3
728.79657	2.8
839.51514	17.7
840.51056	4.1
875.49115	67.5
876.49805	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	873.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98806	6.4
70.28400	12.1
70.28791	15.4
77.67410	6.1
195.20758	6.8
197.11792	15.5
211.13338	11.7
235.08118	5.4
244.64186	5.6
253.09250	19.3
291.19647	23.7
306.27792	5.9
309.20657	100.0
346.76776	5.3
471.55789	6.0
545.29504	17.8
873.47644	90.6
874.48303	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	874.495
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	1.3
69.03454	0.5
71.01381	2.6
71.56190	0.2
72.99322	0.3
73.02937	0.6
83.01390	0.3
85.02945	0.9
87.00870	1.0
89.02439	2.6
93.03453	0.7
96.96011	1.8
101.02444	2.8
108.64965	0.2
111.08137	0.6
113.02457	1.1
119.03459	0.6
121.02950	12.0
122.03760	1.3
123.04493	0.3
125.09715	0.3
134.03752	0.9
135.04539	0.3
143.03456	0.4
145.05022	0.4
150.05617	0.3
151.06393	6.7
152.07173	10.6
154.02737	0.3
161.04553	1.2
165.12836	0.4
167.10767	0.4
167.14406	0.6
171.10309	0.6
179.05647	0.4
179.14391	0.3
183.13892	6.2
193.12323	1.5
195.13872	4.3
201.11247	0.4
209.11897	1.1
211.13380	100.0
212.13724	3.8
223.13420	2.7
225.14932	0.3
235.08231	6.3
253.09276	10.3
254.09628	0.5
256.13098	0.5
275.20139	2.9
293.21219	45.5
294.21487	2.8
300.41626	0.3
316.19141	1.0
327.21811	0.7
334.20102	0.3
344.18665	2.2
362.19833	1.0
429.21033	0.3
447.22330	15.8
448.22705	1.3
487.34109	1.1
511.29187	1.3
529.30347	2.0
598.28583	1.4
723.43091	4.4
724.43646	0.5
874.49774	4.5
875.49597	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	0.8
69.03455	0.4
71.01385	3.5
71.15285	0.4
73.02953	0.6
81.03466	0.4
83.05019	0.5
85.02943	1.4
87.00881	0.3
87.04515	0.4
95.05029	0.6
96.96015	6.1
97.02941	0.4
97.06590	1.2
98.03718	0.3
101.02460	0.5
103.68776	0.3
109.06590	1.3
113.02438	0.3
113.09724	8.6
113.79719	0.3
115.00390	0.5
123.08157	0.4
125.06086	0.6
125.09727	4.5
127.11299	4.9
133.02957	0.8
134.03729	1.1
137.02434	0.8
137.09718	1.6
139.11267	0.8
141.09204	1.2
141.12862	0.4
143.10855	0.4
151.07684	0.4
151.11292	2.0
153.09187	0.9
155.10780	2.1
163.11287	0.8
165.09206	2.0
166.09946	0.4
169.12387	0.6
171.10257	6.6
172.10667	0.3
177.01854	0.4
177.09183	0.3
178.02690	1.3
179.03438	0.3
181.12306	0.4
183.10243	1.1
183.13931	0.6
185.11728	0.4
195.10251	1.9
197.11848	0.4
199.09714	1.5
201.11311	40.4
202.11671	1.3
207.10284	3.5
209.11795	0.5
211.13390	2.1
213.11316	23.5
214.11684	1.0
225.11320	2.6
227.12862	0.8
229.14481	0.8
247.20607	0.7
253.09261	1.4
275.09326	0.5
291.19647	5.7
309.20679	6.1
310.20880	0.4
323.18536	0.4
325.20285	0.6
327.21741	100.0
328.22052	6.7
372.95139	0.3
397.13495	0.3
461.20056	1.2
462.20770	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.4
69.33455	0.6
69.33874	2.1
71.01377	3.3
71.05010	0.7
72.02174	0.8
73.02943	0.7
75.71986	0.3
80.02676	0.7
81.03448	0.9
81.07097	0.3
83.05019	3.5
84.02180	2.0
85.02948	0.8
92.32727	0.3
93.03426	0.5
95.05038	1.1
96.95997	1.9
97.02912	0.4
97.06593	2.6
98.03707	0.3
99.04531	0.6
99.08160	2.1
108.02160	0.4
109.06588	1.6
111.08149	0.8
112.05314	0.8
113.06097	0.4
115.07632	1.4
121.06585	0.4
123.04508	0.8
123.08142	0.6
125.06081	0.8
125.09737	3.2
127.07656	9.1
127.11321	0.5
135.08179	1.7
137.02399	0.5
137.09717	1.0
139.07675	2.4
141.09218	1.0
141.12843	0.6
151.11339	0.4
153.08041	0.6
153.09213	6.5
153.83188	0.3
155.10725	2.1
156.91743	0.3
163.11305	2.9
165.12842	1.7
171.10243	8.7
178.02635	0.4
178.10014	1.7
179.10715	0.3
181.12335	0.9
185.11818	11.3
186.12120	0.3
191.10779	1.3
191.14357	1.3
193.12404	0.5
197.11819	12.5
198.12166	0.4
201.11168	0.3
207.10231	2.1
209.11813	50.5
210.12051	2.3
211.13435	0.9
219.13875	0.6
225.11357	1.2
227.12865	0.7
236.10483	0.9
237.11348	0.4
237.14975	2.1
238.12115	3.7
239.16434	0.7
245.19063	2.9
247.26204	0.3
251.16449	0.7
253.09300	1.4
253.18008	0.8
255.12331	0.4
256.13092	1.9
261.18350	0.4
263.20184	1.0
265.17960	0.8
271.17062	0.6
279.19672	1.3
281.21069	0.7
289.18094	9.1
290.18433	0.6
291.19662	0.6
297.20758	0.4
307.19128	73.5
308.19434	4.9
309.20682	1.8
325.20166	100.0
326.20520	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	871.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	12.2
67.87541	4.2
71.01390	10.5
75.08584	4.0
88.15575	4.6
96.96014	88.7
98.20753	8.9
102.60468	3.9
116.45843	4.1
116.92867	40.7
117.92849	15.5
118.92685	13.4
118.96941	12.6
119.03455	4.0
128.79280	4.0
134.06877	4.8
134.79623	4.9
135.54936	4.7
171.10188	7.0
184.72987	4.2
197.11801	14.5
211.13396	8.2
253.09392	21.8
289.15115	7.3
289.18121	99.2
290.18423	6.5
291.19580	23.4
293.21216	8.0
307.19189	9.2
309.20740	72.6
310.20920	8.3
343.08411	5.9
525.27081	12.1
545.29761	7.7
553.04852	4.3
666.67407	5.0
737.40686	6.0
817.47272	9.6
871.46191	100.0
872.46112	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	868.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
73.31702	0.2
81.65166	0.2
96.96025	0.5
98.19860	0.5
293.21323	0.4
294.21539	0.6
312.09204	0.2
369.31601	0.2
523.57489	0.2
546.58624	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	2.3
65.55745	0.4
65.67869	0.4
69.03443	0.7
71.01371	1.3
71.54811	0.5
73.02941	0.8
78.95890	0.5
79.95747	1.1
80.96509	1.1
83.05003	0.9
96.96014	25.4
97.02941	1.8
97.06592	0.7
101.02533	0.5
109.06595	0.5
111.08166	8.4
125.09671	0.6
127.07592	1.0
137.09763	0.9
153.12843	0.6
165.12805	1.6
169.12343	3.2
171.10245	2.0
181.12354	1.4
183.13840	1.5
195.13908	1.4
197.11827	30.5
198.12199	1.0
199.13393	1.8
209.11760	1.1
211.13380	6.0
221.15416	1.3
223.13361	1.1
227.12857	0.9
233.15591	0.6
247.20657	1.1
251.16512	0.6
253.09238	1.1
263.20160	1.9
265.18027	0.8
273.18668	1.5
279.50482	0.5
291.19662	16.3
292.20126	0.9
309.20709	100.0
310.21060	7.4
323.22369	1.6
325.20325	0.6
869.40515	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
62.54253	0.4
69.03481	0.5
69.45195	2.9
71.01380	16.0
71.05016	1.3
72.99301	0.7
73.02943	5.0
74.40494	0.4
81.03447	0.5
83.01385	1.5
85.02948	6.2
89.02438	7.1
95.01384	1.4
95.05016	0.8
97.02935	1.4
99.00880	3.8
99.08122	0.5
99.29912	0.4
101.02439	8.0
109.06586	1.0
111.04477	0.4
111.16453	0.4
113.01796	0.3
113.02445	9.3
119.03503	2.7
123.08163	1.0
125.06045	0.5
131.03506	0.8
137.09709	1.2
138.06862	12.0
139.07162	0.4
143.03477	0.9
149.04536	1.4
153.09209	35.8
154.09549	0.9
155.76590	0.4
156.17938	0.4
159.03020	0.4
161.04541	4.2
165.12845	0.6
179.05617	0.5
191.05600	0.8
207.13911	3.5
225.14946	50.7
226.15332	2.1
233.06461	0.6
235.22234	0.5
275.09265	1.1
276.09335	0.9
369.19153	43.9
370.19595	3.0
387.20230	7.6
388.20914	0.6
393.17633	10.2
394.17712	0.8
395.50247	0.4
429.21249	100.0
430.16263	0.8
430.21564	8.3
846.57538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
68.13495	1.0
69.81190	6.2
71.01373	25.8
72.99294	1.3
73.02945	9.5
83.01364	1.6
85.02949	7.3
87.00847	1.3
89.02443	25.8
95.01357	2.5
96.95557	0.9
96.96014	10.4
97.95779	1.0
99.00262	1.9
99.00877	31.5
99.01524	1.6
101.01875	1.3
101.02444	12.2
113.02446	15.0
114.00574	1.1
117.26259	1.2
119.03493	4.9
129.61409	1.0
131.03465	4.5
143.03450	1.5
149.04562	12.4
161.04562	6.2
178.36844	1.1
179.05635	2.0
189.12880	3.1
191.05600	12.4
193.75958	1.0
233.06638	3.3
293.08713	1.7
347.20679	1.6
363.22220	1.2
369.19156	2.0
387.20132	4.9
393.17429	3.6
415.16058	100.0
416.16449	9.3
429.21262	14.7
430.21338	1.4
451.13708	61.9
452.14087	5.1
734.54169	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	3.1
68.47638	1.2
69.12543	1.1
71.01383	13.2
71.11996	1.8
72.99297	1.1
73.02974	1.8
80.96522	1.8
83.01387	1.9
85.02957	3.2
87.00865	3.0
89.02462	12.4
97.02924	1.4
101.02436	9.9
113.02456	4.2
119.03509	2.5
125.02441	2.4
129.30293	1.1
143.03499	1.2
165.12874	5.3
172.47997	1.2
179.05553	1.5
183.13901	31.5
209.11801	2.3
221.06558	1.4
227.12834	1.5
235.08255	1.9
240.47926	1.1
251.94669	1.1
255.23297	48.7
256.23596	3.2
294.07993	1.3
323.09909	1.2
350.20441	1.1
379.12714	1.3
397.13608	7.1
863.50061	100.0
864.50488	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01707	2.2
66.48749	0.7
71.01381	15.8
71.05003	0.9
73.02931	6.7
74.37852	0.7
81.03458	0.8
83.01379	2.5
85.02939	6.1
87.00873	0.8
89.02451	5.3
96.95985	4.1
97.02956	1.7
99.00877	2.5
101.02441	6.8
102.98602	1.5
108.02202	1.5
110.73673	0.8
111.04524	1.1
111.51784	0.7
113.02439	7.8
119.03461	1.0
123.08202	0.9
137.09731	1.0
138.01952	6.7
138.06844	13.5
139.02306	1.9
143.32953	0.8
151.57877	1.0
153.09206	38.7
154.09554	2.2
159.02914	1.0
159.79509	0.8
161.04520	3.9
163.11290	1.0
187.09846	0.9
207.13878	3.5
225.14944	50.3
226.15292	2.5
283.04919	2.2
294.87027	0.8
311.09900	0.9
369.19150	40.2
370.19507	3.4
387.20261	9.8
429.21255	100.0
430.21567	9.7
707.73773	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01727	6.1
71.01381	31.9
71.05017	1.7
71.24129	2.4
72.99300	1.1
73.02941	11.6
74.23631	1.0
83.01384	4.2
83.05009	1.9
85.02949	12.5
87.00858	1.6
89.02445	10.7
91.08953	1.0
95.01387	2.5
96.96009	7.6
97.02950	1.2
99.00896	2.3
101.02440	17.8
113.02444	13.1
119.03497	3.5
123.08161	16.6
131.07024	1.0
134.03729	4.0
137.09755	5.9
138.06825	4.4
143.03510	2.8
149.04512	1.2
153.09213	13.5
159.02946	1.5
159.16104	0.9
161.04546	15.0
163.11288	18.6
171.11731	1.9
173.09741	1.2
173.99947	1.0
179.05548	1.2
189.11151	1.6
189.12849	30.8
190.13231	1.9
193.05164	5.0
203.05600	3.7
207.13889	40.1
208.14186	2.5
221.06729	1.5
225.11365	1.3
225.14952	27.2
226.15297	1.4
295.10699	1.1
369.19061	1.7
387.20282	25.1
429.21280	100.0
430.21539	8.6
431.19144	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	859.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01707	6.6
69.28907	6.9
69.29340	8.2
71.01003	3.4
71.01378	43.7
71.05035	1.5
72.99314	2.8
73.02946	13.1
83.01385	6.2
83.05029	2.2
85.02944	12.0
89.02438	23.5
95.01372	2.1
96.96023	4.8
97.02971	2.9
97.06595	1.7
99.00880	2.3
101.02438	30.8
113.02447	17.2
114.74117	1.8
119.03487	13.4
123.08160	17.7
134.03752	6.1
137.09740	7.6
138.06821	3.4
139.55107	1.7
143.03510	4.2
149.04546	3.2
149.06006	2.6
152.08415	5.6
153.09192	15.2
159.02925	1.9
161.04553	14.7
161.09753	2.0
163.11272	18.8
164.04701	3.7
176.84352	1.9
179.05594	5.4
179.07181	4.8
179.10788	4.4
186.74673	1.7
189.12819	27.2
193.05023	15.5
203.05630	6.2
205.12289	4.4
207.13866	32.3
221.06613	2.5
223.13383	7.2
225.14948	7.8
265.14316	2.4
293.08829	2.1
315.64771	1.7
367.17563	14.4
368.17957	3.9
369.18658	3.1
387.20190	12.6
427.19611	16.9
428.20322	4.1
429.21323	100.0
430.21585	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	857.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98847	35.8
70.57674	14.3
71.17407	29.5
72.69786	15.3
108.34502	14.9
116.92879	23.3
197.11934	16.9
201.37860	19.0
236.58762	15.9
253.09344	24.1
293.21295	100.0
309.20859	86.5
857.48474	99.5
858.49194	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	29.7
66.62048	19.4
71.55856	25.6
73.19859	19.4
78.95872	20.0
142.32985	25.0
151.39856	19.0
192.01242	18.4
232.86522	24.6
253.09169	28.5
274.04678	20.9
275.67578	19.1
277.14780	23.9
293.21326	100.0
309.20694	69.2
425.13260	22.9
453.70142	22.7
593.92072	22.1
855.23737	27.5
857.48566	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	0.4
68.12568	0.3
69.03451	1.2
71.01377	1.0
73.02934	0.4
75.08341	0.2
83.05034	0.3
84.02164	0.6
85.02950	6.6
89.02469	0.4
95.05046	0.4
96.96001	0.5
97.02946	0.8
97.06580	1.7
99.76742	0.2
105.86478	0.2
110.03741	0.3
111.08147	0.5
115.07635	0.3
121.02972	0.5
123.08081	0.3
125.09743	1.3
127.11272	1.0
137.09729	1.9
137.16316	0.3
139.11288	0.3
155.10768	1.2
165.01927	0.4
165.12817	0.5
167.10680	0.3
167.14359	0.3
171.10266	21.0
172.10597	0.8
177.12801	0.5
181.12297	0.4
183.13910	2.0
185.11829	1.1
187.09685	0.3
193.12279	0.8
197.11816	2.3
199.09605	0.3
199.13379	0.4
201.11324	2.0
206.52844	0.3
209.11784	1.5
210.12148	0.5
211.13380	9.5
212.13626	0.5
213.11252	0.5
221.11827	1.7
227.12892	1.8
228.13214	0.8
229.14426	7.5
230.14723	0.3
239.12857	1.1
251.16399	0.3
253.09279	1.2
291.19656	2.7
293.21127	2.1
294.21564	0.6
299.58890	0.3
307.18985	0.5
308.19373	0.4
309.20786	1.4
325.20145	1.9
326.20547	1.5
327.21738	100.0
328.22061	6.6
328.25992	0.4
343.57611	0.3
518.59753	0.3
619.91870	0.4
848.57837	0.4
864.10468	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.345
Annotation	Unknow
Peak:m/z	Relative Intensity
66.72752	0.5
71.01382	64.8
71.55090	1.0
72.01707	1.0
72.99322	0.9
74.20877	0.5
78.22232	0.6
83.01402	0.7
89.02481	0.8
93.03471	0.8
96.96030	3.1
97.06587	3.9
101.02496	0.7
105.03471	1.9
106.04282	0.8
115.00375	58.4
116.92879	1.7
120.50776	0.5
121.02976	2.3
133.01434	81.6
133.02921	18.5
134.03743	86.1
135.04543	30.1
136.04999	0.8
137.02443	11.2
137.03384	1.1
139.04036	3.5
146.51875	0.5
149.02339	0.8
150.03262	1.4
162.03221	1.0
175.02559	0.6
177.00328	0.7
177.01926	23.0
178.02705	77.7
179.03484	24.2
180.03879	0.7
191.05550	0.9
213.09184	1.2
231.10310	6.4
232.10420	0.7
247.09676	0.7
275.09250	41.2
276.09628	2.2
285.03876	0.6
293.10306	100.0
294.10657	7.1
409.11279	15.5
410.11737	1.2
447.22339	0.8
857.39893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.345
Annotation	Unknow
Peak:m/z	Relative Intensity
66.72752	0.5
71.01382	64.8
71.55090	1.0
72.01707	1.0
72.99322	0.9
74.20877	0.5
78.22232	0.6
83.01402	0.7
89.02481	0.8
93.03471	0.8
96.96030	3.1
97.06587	3.9
101.02496	0.7
105.03471	1.9
106.04282	0.8
115.00375	58.4
116.92879	1.7
120.50776	0.5
121.02976	2.3
133.01434	81.6
133.02921	18.5
134.03743	86.1
135.04543	30.1
136.04999	0.8
137.02443	11.2
137.03384	1.1
139.04036	3.5
146.51875	0.5
149.02339	0.8
150.03262	1.4
162.03221	1.0
175.02559	0.6
177.00328	0.7
177.01926	23.0
178.02705	77.7
179.03484	24.2
180.03879	0.7
191.05550	0.9
213.09184	1.2
231.10310	6.4
232.10420	0.7
247.09676	0.7
275.09250	41.2
276.09628	2.2
285.03876	0.6
293.10306	100.0
294.10657	7.1
409.11279	15.5
410.11737	1.2
447.22339	0.8
857.39893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34234	0.6
61.98821	1.1
71.01381	84.9
71.55199	1.1
72.01714	1.4
72.99304	1.7
73.02943	0.9
85.02930	0.9
87.00861	1.0
89.02438	1.2
93.03468	1.4
93.86449	0.6
94.43057	0.7
96.96002	8.0
96.99344	0.7
97.06585	3.7
98.19902	0.7
101.02440	1.1
101.87231	0.6
105.03466	1.6
106.04268	1.1
106.43105	0.8
115.00372	66.9
116.00732	1.3
116.92827	1.1
121.02939	2.8
133.01431	94.5
133.02911	16.3
134.01711	2.0
134.03738	94.1
135.04535	38.6
136.04904	1.2
137.02446	13.7
139.04018	3.5
147.04471	0.6
148.05305	7.1
150.03203	1.6
162.03259	1.2
163.07639	8.2
171.90503	0.6
177.01924	24.2
178.02704	92.5
179.03484	31.4
180.03773	0.9
191.05559	1.0
191.18584	0.8
199.90025	0.6
209.63316	0.6
211.13327	1.2
213.09229	0.7
231.10217	7.1
275.09250	40.9
276.09528	2.3
285.03918	0.7
293.10309	100.0
294.10663	7.3
323.82813	0.7
409.11353	10.8
410.11826	1.3
447.09521	0.7
610.86719	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	13.1
71.54673	0.5
83.05034	0.7
88.04010	0.6
89.02402	0.3
96.96011	2.2
97.06576	0.7
107.01386	0.5
109.02917	0.8
112.12097	0.3
115.00375	12.8
116.00682	0.5
121.02934	0.6
132.02992	0.6
133.01430	16.8
133.03004	1.0
134.03738	18.4
135.04460	2.3
136.01653	10.2
137.02480	2.8
146.03696	1.2
147.04430	0.5
148.05280	0.9
151.00313	0.5
151.04080	0.4
158.03740	5.4
159.04498	6.7
160.04941	0.5
162.03226	0.7
172.05295	1.2
173.06075	3.5
174.06818	2.5
175.07655	2.3
183.10176	0.4
187.04120	1.9
187.07637	23.8
188.08105	1.5
198.06914	0.6
201.05508	1.3
201.09163	0.7
202.06367	5.4
203.10745	7.1
213.09187	2.8
215.07167	0.6
216.07832	0.9
231.06500	1.2
231.10240	32.7
232.10567	2.1
233.08194	1.6
243.12381	1.7
247.09779	0.9
256.03711	0.5
263.09189	1.1
275.09238	81.0
276.09573	5.9
284.03253	7.2
285.04034	14.2
286.04321	2.0
287.04599	0.6
292.09052	0.5
293.10300	100.0
294.10675	5.8
342.70767	0.4
391.10443	0.4
405.17523	0.7
408.13007	0.8
409.11310	11.7
410.11890	1.1
435.50040	0.3
444.21027	0.3
447.09308	14.0
448.09567	2.0
449.09692	1.0
449.80286	0.3
450.09955	0.5
483.55103	0.4
619.08722	0.4
759.90717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
61.45746	0.5
61.98831	1.7
69.03455	2.7
69.67733	2.6
70.03835	0.5
71.01379	7.7
72.99311	1.0
73.02938	1.4
79.50878	0.6
81.03458	0.6
82.95430	0.5
83.01408	1.2
83.05043	1.2
83.16716	0.5
84.02160	0.5
85.02953	9.9
87.00890	1.9
88.52579	0.5
89.02444	5.9
95.01373	0.7
95.05035	0.9
96.96011	12.8
97.02947	4.8
97.06581	2.1
98.19891	1.0
98.95619	1.2
101.02435	6.0
109.06606	1.3
111.08157	4.7
113.02454	2.4
119.03510	1.6
123.08150	1.1
125.09718	1.4
127.11311	1.4
137.09746	3.5
143.03493	0.7
153.09172	0.7
153.12877	0.5
155.10803	1.0
161.04482	3.1
163.11261	1.6
165.12842	5.0
169.12323	1.8
171.10268	30.8
172.10622	0.7
179.05612	1.2
181.12326	1.3
183.13948	3.3
185.11804	1.2
193.12224	1.3
195.13875	0.8
197.09984	1.0
197.11819	19.5
199.13374	1.8
201.11295	1.3
207.10358	0.7
209.11871	3.6
211.13383	17.0
212.13748	1.0
213.11307	0.6
221.11833	2.4
223.13370	0.8
227.12802	2.8
229.14436	10.2
235.08224	7.9
239.12857	1.9
247.20615	2.7
248.45898	0.7
253.09270	37.6
254.09691	1.4
263.20166	0.8
265.18243	0.7
273.18637	0.8
291.19641	28.7
292.19955	1.3
293.21228	2.3
309.20700	91.8
310.21057	6.4
327.21744	100.0
328.22110	6.4
343.21347	0.7
356.98349	0.5
423.59686	0.6
545.29681	5.9
546.30444	0.6
563.30701	8.3
564.30933	1.0
619.42303	5.4
620.42621	1.3
855.50690	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	855.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19694	0.3
61.98828	0.7
63.86697	0.3
69.03456	1.3
71.01380	3.9
71.05031	0.3
71.55515	0.3
72.99294	0.4
73.02941	0.9
80.96491	0.8
81.03455	0.4
83.05025	0.8
83.33624	0.3
84.02165	0.5
85.02962	0.6
93.03467	0.5
93.07089	0.4
95.05030	0.7
96.96006	1.3
97.02930	0.5
97.06580	1.3
101.02442	0.8
105.07070	1.0
106.04227	0.6
109.06559	1.4
111.08158	8.3
113.02432	0.5
119.08720	0.4
119.19942	0.4
123.04490	0.5
123.08155	3.4
125.09719	2.5
127.07633	0.5
127.11289	2.7
133.01451	0.3
135.08165	2.3
137.09738	1.2
139.11284	1.2
141.09273	0.3
141.12878	0.4
149.09744	0.7
151.11292	0.8
153.09239	1.7
153.12804	0.5
155.10777	3.0
157.12364	0.4
163.11290	0.8
165.09181	1.0
165.12744	0.3
167.10765	3.3
169.12338	1.8
171.10262	17.2
181.12276	0.4
183.10266	2.2
183.13840	0.8
185.11812	12.3
186.12178	0.6
191.14391	0.8
195.10229	1.2
195.13869	0.8
197.11829	6.9
199.09843	0.4
201.11317	17.3
202.11629	0.8
207.10248	0.9
207.13974	0.4
209.11816	1.0
209.15543	0.3
211.13431	0.7
213.11317	4.1
223.13385	0.9
225.11397	1.0
225.14958	1.0
227.12981	0.8
235.13371	0.4
237.14943	0.7
238.14871	0.3
245.19089	1.6
253.09248	4.8
261.18585	0.3
275.20190	0.5
289.18100	4.4
293.21222	9.6
294.21466	0.7
305.17651	0.7
306.17780	0.4
307.19122	2.5
309.20749	0.6
323.18564	0.6
325.20175	100.0
326.20486	8.2
529.30017	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	4.1
71.01382	4.5
71.05010	1.8
71.56214	1.8
73.02921	1.6
80.67338	1.2
80.96545	3.3
81.03487	1.4
83.05006	1.6
85.02967	1.5
96.96021	4.6
97.06567	3.6
101.02432	1.9
111.08146	7.1
123.08150	3.7
125.09704	4.4
127.11298	3.3
137.09746	1.8
151.11263	3.0
153.09175	2.3
155.10815	2.7
163.11249	2.2
165.12846	3.0
167.10764	3.0
171.10280	33.2
172.10675	1.7
181.12317	2.7
183.13928	1.5
185.11874	10.6
195.10161	1.3
195.13893	2.4
197.11806	8.1
199.13402	9.6
201.11353	20.1
207.10022	1.5
209.11880	10.7
211.13411	5.9
213.11256	2.0
215.12828	1.6
223.17023	1.3
225.11288	2.1
227.12886	30.2
229.14423	4.8
245.19162	2.9
251.16502	5.5
253.09351	15.2
289.18091	6.0
291.19550	6.4
292.20111	1.6
293.21201	17.0
294.21698	2.0
307.19183	15.4
309.20728	19.0
310.21011	1.5
325.20200	100.0
326.20551	6.4
327.21805	10.6
661.59113	1.5
855.41229	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	855.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	0.4
69.03448	0.4
69.63934	0.8
69.64362	0.6
71.01385	2.0
71.05017	4.2
73.02942	0.3
79.95716	0.3
80.96522	0.3
81.03423	0.3
83.01396	0.3
83.05012	0.6
85.02946	0.6
85.11148	0.2
87.00855	0.4
89.02438	1.6
93.07101	0.3
95.01396	0.2
95.04993	0.4
96.96017	4.2
97.02971	1.0
97.06586	2.0
101.02451	2.0
107.04992	0.7
109.06591	0.3
111.08159	2.6
113.02416	0.8
116.92803	0.4
117.48531	0.2
119.03487	0.5
119.08652	0.4
121.10235	2.4
123.04527	0.4
123.08158	0.5
125.09721	3.1
127.07619	0.2
135.03221	0.2
135.04440	0.2
135.08122	0.3
137.09711	4.8
138.10013	0.4
141.12837	0.3
147.08142	0.3
148.08864	0.3
149.09682	0.2
151.11195	0.3
161.04546	1.3
163.11296	0.5
163.14745	0.2
165.12868	1.0
169.12314	0.7
171.10272	9.5
171.13986	0.2
172.10666	0.3
177.12793	0.3
179.05560	0.4
179.14380	0.4
181.12312	0.7
185.11826	4.4
186.12076	0.3
193.12315	0.3
195.13980	0.3
197.11826	12.8
198.12137	0.5
199.13400	0.9
207.10240	0.3
207.13817	0.5
207.17384	0.5
209.11803	1.6
211.13383	2.6
219.13892	0.6
223.13371	0.5
227.12854	0.9
233.15300	0.3
235.08235	0.3
235.16966	0.7
237.14932	0.9
247.13390	0.3
247.20648	1.5
251.16508	11.9
252.16838	0.7
253.09273	17.7
254.09656	0.6
263.20059	0.7
265.18280	0.4
273.18530	0.9
289.18045	0.3
291.19650	31.7
292.20068	2.2
309.20697	100.0
310.21048	7.0
317.45694	0.2
323.19373	0.2
426.88092	0.2
433.20905	0.6
527.28290	0.5
545.29547	3.9
546.30048	0.3
849.48889	0.3
878.64874	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	48.8
69.60806	100.0
93.49635	17.3
176.29463	17.6
177.37581	18.1
232.01361	16.7
283.14249	16.8
293.21283	35.0
326.43103	16.4
335.47855	19.2
389.55460	19.4
590.34088	20.3
855.46259	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	855.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71264	8.9
61.98830	23.2
63.71874	10.2
68.76324	9.5
71.55038	14.4
96.96014	64.2
116.92835	36.4
118.96990	8.9
146.03358	11.4
185.10452	10.3
194.87798	8.9
234.30255	10.4
253.09285	26.8
289.18060	97.2
290.18405	10.2
293.21231	100.0
301.89261	9.7
307.19217	11.9
432.70242	9.0
560.19580	10.9
578.73822	10.0
628.41241	11.2
683.59863	9.8
855.46570	97.6
856.46777	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	855.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01699	5.1
61.98839	10.0
71.01377	38.0
71.55915	2.4
73.02940	19.4
83.01389	6.0
83.05019	3.9
85.02950	14.6
87.00887	2.3
89.02426	10.7
95.01370	2.0
96.96004	5.9
97.02969	2.8
99.00882	6.3
101.02442	28.2
101.45146	1.6
113.02433	12.2
114.06911	1.5
115.00400	2.3
115.46703	1.6
119.03497	3.1
123.08157	22.1
125.02356	2.9
134.03743	3.6
134.26553	1.9
137.09677	6.2
147.08177	1.8
159.02995	2.4
161.04547	12.3
163.11275	18.4
173.09660	2.3
189.12843	30.9
190.13171	2.5
193.05038	8.1
203.05573	2.2
207.13876	39.7
208.14198	3.2
225.14899	10.5
249.13396	15.0
346.00027	1.8
381.17575	53.1
382.18011	4.8
387.20334	14.6
429.21249	100.0
430.21576	8.4
431.19315	1.8
480.37170	1.8
835.69928	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.277
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02401	0.6
65.00334	0.5
69.26737	3.6
73.65012	0.3
83.01407	0.8
85.02944	0.6
98.19910	0.7
101.02428	0.6
107.01396	1.3
113.02416	0.9
132.02145	0.5
133.02969	2.3
139.11290	11.8
140.11575	0.5
149.02444	0.8
151.00366	2.7
163.11215	0.5
175.03976	0.8
175.65732	0.4
181.12332	7.8
183.10242	16.1
184.10599	0.8
188.51321	0.4
195.04564	0.4
199.03935	1.1
199.13391	6.8
217.05043	0.8
219.66058	0.4
225.11353	5.4
241.04973	0.9
243.12347	87.8
244.12709	4.2
249.11282	0.6
256.03705	2.6
267.03082	0.5
269.04663	0.4
284.03244	42.5
285.04010	100.0
285.13394	1.5
286.04333	6.8
297.04095	0.5
327.05075	1.2
403.23117	0.6
405.17615	47.4
406.18082	4.9
447.09283	94.8
448.09576	8.5
719.44220	0.4
732.99084	0.4
792.21368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
61.98822	1.1
69.35139	1.3
69.35567	1.0
71.01379	21.9
72.01702	0.3
79.94805	0.3
89.02449	0.4
89.03976	1.8
90.19901	0.3
96.96007	2.4
97.06570	0.7
101.00926	0.3
101.02433	0.5
105.03442	0.6
107.04996	0.3
115.00368	9.6
115.74054	0.3
117.03455	8.5
120.88519	0.3
121.02938	0.5
133.01466	1.6
133.02953	6.9
133.03903	0.6
134.03737	21.6
135.04524	18.2
136.04854	0.5
137.02457	2.5
139.04013	0.8
145.02966	1.4
149.02391	0.7
150.03214	0.4
160.03145	0.3
161.02431	4.1
162.03221	18.0
163.03493	0.4
167.49936	0.3
177.01932	6.3
178.02705	8.6
179.03282	0.4
209.11819	0.4
223.13370	1.4
231.10237	4.9
275.09235	100.0
276.09546	6.1
289.18317	0.3
391.10477	4.7
391.15244	0.9
392.10654	0.5
423.66064	0.3
549.58344	0.3
562.22015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.7
61.98843	0.4
69.28654	1.1
69.29080	1.4
71.01381	32.4
73.02949	2.5
77.03973	0.7
79.95750	1.5
83.01385	0.4
85.02931	0.6
89.02467	0.5
89.03976	0.4
95.05045	0.9
96.03752	0.3
96.96009	48.2
97.06586	1.0
98.19992	0.6
101.02432	1.7
105.03453	3.7
112.98490	0.3
113.02444	0.9
115.00372	11.1
116.46063	0.3
117.03463	1.3
121.02989	0.7
123.04539	1.1
125.02425	0.5
133.02962	12.6
134.03738	26.6
135.04543	6.2
137.02455	2.1
139.04022	1.0
143.03488	0.8
143.10776	4.6
145.02954	0.7
149.02451	0.7
155.03456	0.4
157.12375	0.6
159.04561	0.4
161.02440	2.3
162.03226	11.6
163.03481	0.4
170.00330	0.4
177.01924	5.9
178.02708	4.2
179.03221	0.3
185.11786	0.4
187.07678	0.9
203.05551	0.4
203.10753	0.5
207.10278	0.3
209.11858	0.7
225.11421	0.4
231.10239	22.5
232.10550	1.2
275.09235	100.0
276.09592	6.5
289.98981	0.4
391.10223	5.7
491.87433	0.4
652.56531	0.3
709.40881	0.5
851.38184	0.8
872.04590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	0.1
61.98830	100.0
62.98528	0.2
86.78568	0.1
94.06046	0.1
101.49798	0.1
129.10390	0.3
139.08762	0.1
140.07256	0.1
152.99652	0.2
191.50566	0.1
200.14081	0.2
207.15094	0.4
224.17731	0.2
241.13300	0.1
242.11986	0.1
242.18805	0.4
252.13754	0.1
259.14548	0.1
295.21591	0.2
313.22678	0.1
323.99185	0.1
337.26480	0.1
377.40393	0.1
782.51813	5.6
783.51941	1.3
792.06006	0.1
833.45056	0.2
845.52216	0.2
864.83289	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	845.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01714	0.9
61.98841	0.6
62.13591	0.4
69.13076	0.4
69.27544	2.8
69.27966	1.4
71.01377	10.3
73.02943	7.9
83.01405	1.3
85.02946	4.3
87.00947	0.5
89.02455	2.1
95.01437	0.8
95.05023	0.7
96.96001	7.0
99.00864	1.0
100.51401	0.5
101.02438	6.1
107.58042	0.5
109.06571	0.8
113.02448	4.7
115.00344	0.5
119.03533	1.0
121.06590	0.6
137.09846	0.5
143.03488	0.6
161.04567	3.1
161.09579	0.5
163.11269	4.3
168.27917	0.5
181.12331	43.3
182.12633	2.5
207.10271	1.3
209.15497	1.2
210.76892	0.5
223.09802	0.6
225.11307	88.3
226.11638	4.7
249.11354	0.9
267.12347	0.6
295.15094	0.5
299.05298	0.7
343.25082	0.5
371.20746	3.1
387.16599	20.3
387.24023	1.2
388.16953	2.1
413.21805	12.0
414.21887	0.8
626.00983	0.5
820.39233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
62.39651	0.1
63.50853	0.1
69.03442	0.3
70.29086	0.3
70.29479	0.3
71.05028	2.5
76.99861	0.1
78.95909	2.0
79.62916	0.2
80.02663	0.7
81.03460	1.2
83.05017	0.7
85.06578	0.2
95.05024	1.2
97.02892	0.2
97.06602	0.4
98.03726	1.0
99.08208	0.1
106.04244	0.6
107.05029	0.5
107.08714	0.2
109.02927	0.3
109.06592	9.0
110.03730	0.2
111.04527	4.0
111.08163	1.1
112.05318	0.2
113.09710	0.2
117.49100	0.1
119.05006	0.2
120.05795	0.3
121.06580	0.4
121.10251	0.2
123.04539	0.2
123.08156	1.3
125.06002	0.2
127.07656	1.9
129.09251	0.2
135.08173	0.4
135.11766	0.4
137.06075	0.5
137.09737	0.7
138.06847	0.2
141.09225	0.2
143.10768	1.1
145.06584	1.5
147.08165	0.3
149.06087	0.4
149.09776	1.2
151.11295	0.7
152.99686	0.2
159.08096	0.2
161.09724	0.2
163.11240	0.5
167.10791	1.8
169.12355	0.2
175.11249	0.2
177.09189	0.4
177.12807	0.6
179.10770	1.2
181.12329	0.6
191.14433	0.5
195.13896	3.1
207.17470	0.4
215.14511	0.3
217.15977	0.2
224.06897	0.6
227.18146	0.3
229.15919	0.3
235.13339	1.3
243.17496	0.2
245.19086	3.9
246.19536	0.4
247.16995	0.3
249.14992	0.3
251.16505	0.9
261.18570	0.5
263.20056	0.2
271.17014	1.1
273.14984	0.5
277.21683	0.9
287.16531	1.6
288.54550	0.1
289.18085	100.0
290.18427	6.9
292.00726	0.2
295.22763	3.1
307.19150	18.3
308.19455	1.3
520.30457	7.1
521.30652	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.5
61.98824	0.9
62.22152	0.3
63.99697	0.3
69.03466	0.9
71.01385	1.8
71.55299	0.4
73.02953	0.7
79.28176	0.3
83.05051	0.6
84.95115	0.8
88.77204	0.3
89.02456	1.0
93.07072	0.5
96.96020	1.4
97.02966	0.4
97.06603	0.8
99.08157	0.4
101.02453	1.3
109.06609	1.1
111.08164	11.8
113.02441	0.5
119.03503	0.4
119.08655	1.2
121.10205	0.3
122.61739	0.3
122.96441	0.3
123.04502	0.4
125.09719	0.9
127.07642	1.8
127.11261	0.5
137.09712	3.1
151.11278	1.2
153.12881	0.8
155.10773	0.4
161.04561	1.0
163.11263	0.4
165.12820	0.5
167.10768	1.0
169.12335	4.2
171.08801	0.7
171.10268	11.7
172.10590	0.4
178.09676	0.4
179.10822	0.4
179.14433	0.5
181.12331	2.1
183.10178	0.5
183.13893	0.7
185.11807	2.9
193.12329	0.5
195.13933	4.1
196.14345	0.4
197.11829	45.5
198.12161	1.7
199.13469	1.5
201.11356	1.1
209.11795	1.1
209.15402	0.7
211.13397	7.9
212.13779	0.4
213.11255	0.6
218.82622	0.4
221.12001	0.3
223.13483	0.5
223.17049	0.4
225.11308	0.6
225.14938	0.5
227.12857	1.0
233.15517	0.4
235.08170	0.4
237.14957	0.8
247.20691	0.8
251.16513	1.0
253.09274	15.5
254.09691	0.6
263.20154	1.7
265.18027	1.1
273.18652	1.4
277.21655	3.6
278.21826	0.4
284.43842	0.3
291.19650	19.9
292.19965	1.1
295.22769	37.8
296.23138	3.2
309.20700	100.0
310.21042	8.8
312.13867	0.4
363.72668	0.4
404.53574	0.4
479.51453	0.3
531.31488	2.0
841.40424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.2
61.98827	1.2
67.01907	0.5
69.03454	1.5
71.01376	1.2
71.05023	1.0
72.48588	0.3
73.02932	0.6
80.02647	0.4
80.65691	0.4
81.03457	0.3
83.05029	1.2
83.38014	0.3
85.02908	0.4
85.06576	0.8
89.02451	1.0
93.07087	0.5
95.05022	0.7
96.95998	1.6
97.02950	6.4
97.06565	1.0
101.02452	1.1
102.35864	0.4
107.20998	0.3
109.06580	0.9
111.08145	3.4
113.02460	0.7
119.08678	0.4
123.04534	0.4
123.08167	0.4
125.09698	0.8
127.07645	0.6
137.09700	1.4
147.29886	0.4
161.04523	0.7
163.11269	1.1
165.12874	1.8
167.10852	0.4
169.12331	1.0
171.10277	4.5
177.12897	0.4
179.10843	0.6
179.14381	0.6
181.12354	0.9
183.13866	1.1
193.12303	1.7
195.13892	6.1
197.11821	10.1
197.13567	0.8
198.12051	0.5
199.13359	0.7
207.10223	0.3
209.11859	1.9
211.13362	4.0
217.15935	0.5
221.15398	2.0
223.13348	1.4
223.16866	0.7
227.12875	1.3
233.15514	0.6
239.16531	0.4
247.20647	2.5
251.16628	0.9
253.09271	10.7
254.09738	0.5
263.20200	0.8
273.18500	2.1
277.21606	2.4
291.19653	25.1
292.20068	2.0
295.22769	25.3
296.23209	2.0
307.00375	0.4
309.20697	100.0
310.21042	9.6
439.01190	0.3
531.31860	0.9
683.53748	0.4
745.47845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98858	17.2
72.21544	14.3
79.95718	16.3
80.96516	26.7
90.75585	15.9
102.55553	15.0
137.96638	16.3
293.21115	100.0
320.64706	17.2
438.34113	16.6
841.49390	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01700	1.3
61.98814	4.2
65.73957	1.6
69.03433	4.6
71.01006	2.8
71.01382	46.9
71.09579	2.1
72.99304	2.4
73.02943	7.7
75.00880	1.8
83.01385	6.1
85.02953	20.9
87.00868	5.1
89.02430	10.0
95.01377	5.0
96.96004	9.0
97.02950	6.0
98.95569	1.7
99.00849	4.7
101.02445	21.5
111.00878	3.2
113.02438	22.7
115.00392	4.0
116.92844	2.0
119.03465	3.0
121.02918	3.4
124.01637	2.8
125.02454	10.9
129.01921	1.7
133.01413	2.5
133.02960	2.1
134.03717	5.9
135.04585	2.0
137.02397	2.9
138.70880	1.4
143.03452	5.7
161.04555	4.4
162.03104	1.5
165.05605	1.6
178.02702	3.3
181.12321	1.6
194.55859	1.5
211.13367	4.5
225.07565	1.5
275.09152	7.8
299.25912	2.2
345.29968	4.9
471.32886	1.5
489.34134	10.8
507.35309	6.7
615.37164	1.9
633.38452	42.2
634.38953	4.9
651.39545	57.1
651.50427	3.3
652.39972	6.7
669.40607	11.8
670.40405	2.3
693.40570	36.9
694.41559	8.7
711.41608	40.7
712.41730	8.0
753.42572	8.5
841.34375	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	841.407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01700	1.3
61.98814	4.2
65.73957	1.6
69.03433	4.6
71.01006	2.8
71.01382	46.9
71.09579	2.1
72.99304	2.4
73.02943	7.7
75.00880	1.8
83.01385	6.1
85.02953	20.9
87.00868	5.1
89.02430	10.0
95.01377	5.0
96.96004	9.0
97.02950	6.0
98.95569	1.7
99.00849	4.7
101.02445	21.5
111.00878	3.2
113.02438	22.7
115.00392	4.0
116.92844	2.0
119.03465	3.0
121.02918	3.4
124.01637	2.8
125.02454	10.9
129.01921	1.7
133.01413	2.5
133.02960	2.1
134.03717	5.9
135.04585	2.0
137.02397	2.9
138.70880	1.4
143.03452	5.7
161.04555	4.4
162.03104	1.5
165.05605	1.6
178.02702	3.3
181.12321	1.6
194.55859	1.5
211.13367	4.5
225.07565	1.5
275.09152	7.8
299.25912	2.2
345.29968	4.9
471.32886	1.5
489.34134	10.8
507.35309	6.7
615.37164	1.9
633.38452	42.2
634.38953	4.9
651.39545	57.1
651.50427	3.3
652.39972	6.7
669.40607	11.8
670.40405	2.3
693.40570	36.9
694.41559	8.7
711.41608	40.7
712.41730	8.0
753.42572	8.5
841.34375	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	841.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.7
71.01380	40.2
72.99323	1.0
73.02940	0.6
80.82405	0.5
89.02447	0.6
96.96027	1.4
97.06597	3.2
101.02489	0.6
105.03463	0.8
105.82751	0.4
107.05057	0.6
108.02156	0.8
109.02940	4.9
110.91431	0.5
115.00371	33.4
116.00735	0.6
121.02955	1.1
133.01427	38.4
133.02876	3.1
134.03735	78.2
135.04553	20.1
136.01640	3.8
136.04837	0.7
137.02423	4.0
139.03999	0.5
150.03224	0.8
151.03999	2.6
152.29292	0.4
162.03214	0.8
168.55362	0.5
174.06842	1.5
175.07620	0.9
177.01910	5.5
178.02698	21.1
178.04288	1.0
179.03482	7.3
187.07578	0.9
189.70239	0.5
195.02945	1.1
202.06374	0.8
203.10767	2.3
203.12671	0.7
213.09198	1.5
231.06743	0.6
231.10245	9.6
236.46709	0.5
238.81671	0.5
242.33838	0.5
242.86040	0.5
246.05307	0.9
247.09694	0.8
268.03619	2.6
269.04346	1.0
275.09229	23.7
276.09586	1.9
285.04105	0.7
293.10294	100.0
294.10626	6.1
409.11362	10.9
410.11517	1.2
431.09811	2.4
432.09689	0.6
841.30524	0.7
860.07025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	5.8
60.68216	3.2
61.67398	3.4
61.98822	14.3
69.38029	13.3
69.38451	13.8
69.60026	3.3
71.01392	9.8
79.95737	5.0
80.96545	6.3
82.95405	12.0
83.59354	3.6
84.95109	4.3
85.02925	3.5
87.55857	3.4
94.05383	3.2
96.96011	28.1
98.20715	7.2
111.08145	13.9
148.64874	3.7
169.12286	3.9
171.10269	4.9
181.12347	4.3
183.35054	4.0
194.86719	3.6
197.11815	49.5
207.10252	7.3
209.11774	3.8
211.13385	10.3
225.11349	10.1
253.09283	7.2
291.19672	11.8
293.21228	4.2
309.20673	100.0
310.20932	11.2
495.94879	3.8
656.04315	3.9
839.40222	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	839.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	0.6
59.01379	6.7
61.98814	0.8
69.03454	2.1
69.90694	1.7
71.01378	6.0
71.05020	0.4
73.02949	0.9
79.23682	0.3
81.03452	0.3
83.01370	0.8
83.05028	0.5
85.02952	7.3
86.37318	0.3
87.00878	1.3
89.02435	4.4
95.01367	0.4
95.05019	0.8
96.95998	1.8
97.02956	1.5
97.06587	2.1
99.00900	0.3
99.80302	0.3
100.88889	0.3
101.02444	4.7
111.08177	0.8
113.02447	2.8
119.03504	1.1
121.52949	0.3
125.09726	1.0
127.11285	1.2
137.09697	2.0
141.01788	0.3
143.03514	0.5
146.81505	0.3
155.10783	0.7
159.95810	0.3
161.04514	2.7
165.12840	0.6
167.10744	0.4
167.14359	0.8
171.10262	21.8
172.10507	0.4
177.12828	0.7
179.05617	1.3
179.14401	0.7
181.12379	0.5
183.13901	2.7
185.11813	0.6
193.12225	0.9
195.13876	7.1
195.44031	0.3
196.14435	0.3
197.11818	0.5
201.11304	0.9
205.12402	0.4
205.15854	0.4
209.11897	1.5
211.13371	14.5
212.13684	0.5
221.11794	2.8
223.13319	5.2
224.13643	0.4
227.12823	0.4
229.14417	10.1
230.14635	0.5
235.08203	5.3
239.12895	2.1
247.20677	0.4
247.81880	0.4
253.09270	35.6
254.09544	1.3
256.13065	0.8
257.13580	0.5
273.18872	0.4
275.20123	4.5
276.20450	0.7
291.19568	4.5
293.21210	100.0
294.21570	7.7
299.32425	0.3
309.20679	8.1
310.21042	1.1
311.21564	0.4
327.21738	84.9
328.22089	6.2
529.30219	2.5
545.29749	2.6
563.30695	8.2
564.30859	1.1
582.50696	0.4
603.42688	5.0
604.42920	0.8
839.50885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.8
61.98835	3.2
67.71975	0.5
69.03455	0.9
69.48722	3.7
69.49136	1.0
71.01364	1.1
71.05022	7.1
78.95907	0.6
79.95718	0.9
80.96512	1.9
82.68490	0.5
83.05048	0.8
89.02457	1.0
96.96014	14.8
97.06593	3.4
100.33096	0.5
101.02433	1.0
101.99461	0.7
109.06590	2.0
119.08639	0.6
121.10281	1.4
124.67903	0.5
125.09723	1.8
137.09718	7.8
151.11241	1.2
161.04599	0.6
171.10272	23.0
172.10690	1.0
181.12314	0.7
185.11864	4.4
195.13889	3.7
197.11864	1.5
207.13940	0.9
209.11816	0.7
211.13419	1.6
212.13670	0.8
221.15533	1.5
233.15445	1.7
235.17052	1.6
237.14911	1.7
239.16559	3.0
245.19070	1.1
246.19452	1.1
247.20631	1.2
251.16547	9.4
253.09302	13.1
273.18564	2.3
275.20093	1.7
289.18100	9.6
290.18518	7.6
291.19641	25.6
292.19998	1.7
293.21240	23.0
294.21512	1.9
307.19168	2.6
308.19504	2.3
309.20709	100.0
310.21045	8.4
529.30151	0.9
839.40588	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
67.01895	0.8
69.03456	0.5
70.26286	0.3
71.01387	0.4
71.05015	0.5
71.18352	0.7
81.03455	0.3
83.05029	0.7
89.02451	0.6
89.43228	0.3
93.07086	0.5
96.96004	1.6
97.06593	1.2
99.08202	0.3
101.02413	0.4
109.06564	0.7
110.88029	0.3
111.08175	0.8
121.10245	6.2
123.08156	1.0
125.09731	5.4
127.11195	0.4
137.09705	0.8
139.11295	0.4
141.12843	1.1
147.08160	0.5
151.82222	0.3
163.11243	0.3
167.14410	1.1
171.10292	3.4
185.10223	0.7
185.11838	8.8
186.12173	0.9
195.13889	1.8
197.11868	2.4
207.10167	0.4
209.11769	0.5
211.13391	55.0
212.13705	2.3
223.13361	1.5
223.17038	1.1
225.14830	0.3
233.15518	0.7
234.57156	0.3
245.19109	1.1
246.19551	0.4
247.13461	0.6
247.20601	0.7
251.16496	3.6
253.09273	6.2
254.09564	0.4
273.18509	1.4
275.20145	0.4
289.18115	4.7
290.18399	4.4
291.19656	100.0
292.19989	6.6
293.21216	10.1
294.21552	1.1
307.19128	2.2
308.19495	2.6
309.20703	32.7
310.21051	2.7
642.26093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98829	3.7
69.03458	2.7
71.01379	49.6
71.01775	2.5
71.05028	2.4
71.10601	2.1
72.99274	2.7
73.02941	12.6
83.01392	12.0
85.02941	23.6
86.00140	1.2
87.00875	4.8
89.02438	5.4
95.01383	6.3
95.68723	1.4
96.96008	24.9
97.02950	5.4
98.95602	3.9
99.00886	5.8
101.02437	25.2
108.99096	1.3
111.00887	4.2
112.98556	1.4
113.02444	20.3
113.09724	1.4
115.00372	4.8
121.02962	2.1
123.00845	1.4
124.01679	4.1
125.02433	10.7
125.42029	1.4
133.01457	2.4
134.03732	4.2
135.04523	2.1
141.01874	1.7
143.03519	6.7
143.10767	6.1
150.10855	1.2
153.58865	1.4
159.03032	3.4
161.04555	6.6
162.03224	2.3
167.10732	1.8
177.01901	2.9
178.02736	2.0
191.05652	2.0
209.11832	5.2
211.13405	5.0
214.76410	1.4
225.39075	1.3
231.10225	4.2
275.09241	14.6
285.03973	2.2
313.27533	1.8
325.27124	1.6
343.28735	6.3
389.06165	1.4
447.09464	1.4
469.31888	4.1
487.32800	16.3
505.33685	9.0
543.84937	1.5
549.09735	1.4
557.02716	1.5
613.36029	2.6
631.36902	40.9
632.37360	6.2
649.37988	65.4
650.38458	9.0
667.39050	15.2
668.40826	2.1
691.38959	29.2
692.39288	6.3
709.40131	42.8
710.40576	7.8
723.31964	1.7
751.41138	9.6
752.41675	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	839.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01692	1.6
61.98820	1.8
62.34449	0.7
69.03455	2.8
70.45535	2.5
71.01381	45.7
72.01743	0.9
72.99303	2.8
73.02954	11.5
75.00869	0.9
76.67049	0.8
81.03449	2.0
83.01388	10.1
85.02951	21.6
87.00874	6.4
89.02443	14.3
95.01391	5.5
96.96015	12.7
97.02960	5.1
99.00864	5.4
101.02444	24.8
102.02861	0.7
104.22712	0.7
111.00885	3.7
112.01626	1.9
113.02456	25.7
115.00391	1.4
116.92840	2.9
119.03531	4.4
121.02947	1.2
123.08165	1.1
124.01615	2.4
125.02450	13.7
129.01892	1.0
134.03734	1.7
135.04523	0.9
143.03519	6.2
143.10753	6.1
159.03015	2.2
161.04559	4.2
171.10202	1.1
203.34967	0.9
209.11887	3.9
211.13361	1.7
275.09308	2.2
297.48566	0.8
313.27310	1.1
325.27408	1.2
340.42212	0.8
343.28598	2.9
460.60764	0.9
469.31653	1.1
478.62839	1.0
487.32822	9.9
505.33865	5.8
595.34589	1.6
601.36133	1.2
613.36017	1.7
631.36938	42.0
632.37451	7.1
649.38037	68.7
650.38391	9.6
667.39185	18.5
668.39276	2.5
691.39014	29.1
692.39709	5.7
709.40204	44.8
710.40857	7.5
751.41150	11.4
752.41479	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.3
69.42885	0.8
71.01378	16.9
71.01768	1.0
71.55863	1.3
73.02949	8.3
83.01376	2.3
83.99969	0.8
85.02948	9.5
89.02437	2.5
96.96012	11.5
97.02942	1.1
99.00886	5.6
99.09891	0.8
101.02435	17.4
106.22922	0.9
113.02443	10.0
135.04478	1.3
143.03554	1.2
144.86226	0.9
159.03017	1.9
161.04556	14.6
173.64391	0.9
189.07625	0.8
269.10254	14.3
387.16605	1.4
401.14474	100.0
402.14774	9.4
437.12134	47.8
437.20105	8.4
438.12598	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	839.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.1
61.98817	0.7
69.03446	0.5
71.01381	37.3
71.55519	0.5
72.01714	0.5
72.99311	0.7
73.02947	6.0
75.00830	0.3
79.69651	0.3
83.01388	1.9
85.02941	1.6
87.00875	0.5
89.02448	1.9
89.03962	0.7
91.83364	0.3
95.05003	1.5
96.96012	7.9
97.06579	1.2
99.00882	0.6
101.02447	7.0
105.03453	3.9
111.00855	0.8
113.02440	2.9
115.00368	12.8
116.92850	0.7
117.03464	1.8
119.03487	1.1
119.05024	0.5
120.98342	0.3
121.02935	1.0
123.04523	0.8
125.02425	0.9
131.03506	0.6
133.02962	14.5
134.03743	25.8
135.04529	6.7
137.02454	3.3
139.04007	1.2
143.03502	1.0
149.02435	0.7
149.04546	1.1
150.03139	0.4
155.03494	0.4
161.02472	2.3
161.04515	2.0
162.03223	10.7
163.03688	0.4
167.83095	0.4
168.80786	0.4
177.01924	11.3
178.02701	6.7
187.07582	0.8
203.10754	0.6
209.11948	0.6
213.09036	0.5
221.06673	0.6
231.10248	19.8
232.10535	1.5
275.09238	100.0
276.09537	5.6
391.10336	6.5
392.10452	0.5
432.97638	0.4
487.32550	0.7
631.36963	2.3
649.38031	3.9
650.38855	0.6
667.39252	0.9
691.39392	1.6
709.39801	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.537
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99582	0.5
59.01374	4.7
61.98816	0.8
69.03452	1.9
69.16887	0.4
71.01385	5.8
72.99294	0.5
78.95916	0.9
80.96546	0.4
83.05029	1.0
85.02938	1.1
89.02442	3.1
92.42705	0.5
93.07031	0.5
96.96003	1.5
97.02943	4.7
97.06563	1.0
101.02434	4.6
104.77218	0.5
109.06558	1.5
111.08153	5.8
113.02455	2.8
119.03488	1.1
119.08654	0.6
125.09711	1.0
133.05075	0.5
136.24242	0.5
137.09698	1.5
143.03482	0.7
151.11279	2.0
152.39664	0.5
153.12820	1.5
161.04515	2.3
163.11244	1.5
165.12836	3.4
169.12305	3.0
171.10284	4.7
177.12862	0.8
179.05563	0.6
179.14331	1.3
181.12292	4.2
183.13870	1.0
193.12244	1.5
195.13737	0.9
197.11821	35.4
198.12129	1.2
199.13353	2.5
207.10202	0.7
207.13824	1.4
209.11757	2.4
210.12508	0.5
211.13354	5.7
213.14870	1.8
223.13385	1.0
227.12843	3.2
229.19737	0.6
235.08160	2.5
239.12836	0.7
241.14456	0.7
247.20551	3.5
253.09270	22.8
254.09515	0.9
263.20135	2.0
273.18512	3.1
274.19135	0.7
277.21701	19.6
278.21985	1.4
289.18124	0.6
291.19641	46.8
292.19925	3.2
293.21219	4.9
305.21246	1.9
309.20694	100.0
310.21072	6.7
323.22244	84.4
324.22568	6.1
325.20056	2.6
527.28204	0.9
545.29919	3.0
601.41125	2.3
837.49615	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.4
61.15649	0.4
61.98821	1.4
67.01876	0.7
67.39169	0.4
69.03455	1.1
69.75075	0.4
71.01389	3.9
71.05022	0.7
71.55428	0.7
73.02931	0.6
81.03474	0.5
83.01353	0.6
83.05012	1.2
85.02943	0.7
89.02444	2.8
93.03457	0.6
95.05009	0.4
96.95998	2.0
97.02946	2.2
97.06579	1.1
101.02418	2.9
107.04998	0.4
109.06586	1.1
111.08154	3.7
113.02456	1.9
119.03480	0.6
121.10218	0.7
123.08162	1.0
125.09699	3.1
137.09724	1.3
149.09592	0.6
151.11244	1.3
161.04549	1.5
163.11288	2.0
165.09230	0.9
165.12814	2.4
167.10776	0.7
169.12300	1.6
171.10260	4.4
176.87906	0.6
179.05569	0.7
181.12341	3.9
185.11797	0.8
191.14520	0.7
193.12305	1.2
195.13873	0.9
197.11824	20.6
198.12097	0.9
209.11806	2.2
211.13382	11.7
213.14938	2.4
220.14735	0.9
221.11839	0.8
221.15407	0.5
223.13315	1.0
225.14876	1.1
227.12831	0.8
235.08199	1.7
239.12810	1.3
244.13306	0.6
245.19102	0.6
247.20685	2.2
248.93430	0.6
253.09288	14.3
263.20105	0.8
273.18500	3.0
275.20224	0.9
277.21701	24.4
278.22070	2.2
289.18207	2.3
290.18417	0.6
291.19650	32.8
292.19998	2.9
293.21194	7.0
294.21518	1.0
305.21207	2.2
307.19156	1.4
308.19968	1.4
309.20694	28.3
310.21133	2.3
311.22189	0.5
323.22250	100.0
324.22592	8.2
325.20212	5.7
356.84314	0.5
481.41327	0.5
527.28430	1.2
545.29779	1.3
837.49896	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	837.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01117	0.1
59.01374	1.5
61.98809	0.3
66.54208	0.1
67.04713	0.1
68.47361	0.1
69.03458	0.5
69.30800	0.7
71.01384	0.4
71.04644	0.2
71.05016	2.4
73.02921	0.1
79.95694	0.1
80.02674	0.7
80.96500	0.1
81.03451	1.4
83.05029	0.9
89.02425	0.1
93.03447	0.2
94.04197	0.1
95.01387	0.1
95.05030	1.5
96.95998	0.1
97.02924	0.4
97.06586	0.5
98.03288	0.1
98.03731	0.8
101.02422	0.1
101.62400	0.1
106.04256	0.7
107.05037	0.5
107.08649	0.1
108.02160	0.1
109.02919	0.3
109.06587	9.7
109.28612	0.1
110.03697	0.1
110.06855	0.1
111.04517	4.0
111.08154	1.0
112.05286	0.3
113.02425	0.2
115.07651	0.1
119.05011	0.2
119.08662	0.1
120.05803	0.3
121.06588	0.5
121.10183	0.2
122.77472	0.1
123.04534	0.6
123.08160	1.4
124.08498	0.1
125.02489	0.1
125.06071	0.1
125.09714	0.8
127.07645	1.9
129.09193	0.2
131.05034	0.1
133.10175	0.2
135.08151	0.6
135.11760	0.3
137.06087	0.6
137.09714	1.2
138.06792	0.1
139.11311	0.1
141.09236	0.2
141.12839	0.2
143.10760	0.9
145.06586	1.7
147.08110	0.2
149.06067	0.6
149.09720	0.9
151.11281	0.7
153.09167	0.2
155.10617	0.1
159.08104	0.3
161.04588	0.1
161.09662	0.3
162.10408	0.1
163.07622	0.2
163.11259	1.1
164.08391	0.2
165.09175	0.2
167.10768	1.8
167.46138	0.1
169.12265	0.2
171.10278	0.1
173.09521	0.1
174.10472	0.1
175.11279	0.2
177.09215	0.2
177.12846	0.6
179.10756	0.9
181.12350	0.6
185.11797	1.5
187.11192	0.1
189.12790	0.1
191.10747	0.1
191.14389	1.8
193.12306	0.2
195.13893	2.7
196.14218	0.2
205.12321	0.2
205.16154	0.2
207.10211	0.5
207.17555	0.3
215.14377	0.3
216.15117	0.1
217.12305	0.1
217.15874	0.3
223.13342	0.3
225.11319	0.5
226.12056	0.1
227.17932	0.3
229.15987	0.3
231.13826	0.1
233.15399	0.3
235.13379	1.2
236.13701	0.1
243.17456	0.3
245.19083	6.1
246.19414	0.4
247.17000	0.3
249.14943	0.4
251.16528	0.9
253.09259	1.8
254.09636	0.1
259.13474	0.2
261.18549	0.3
263.20123	0.2
265.18015	0.1
271.17014	1.4
272.17313	0.2
273.14978	0.6
275.20203	0.1
287.16452	1.8
288.16782	0.1
289.18069	100.0
290.18408	7.6
293.21219	3.4
294.21518	0.3
294.41879	0.1
307.19125	27.9
308.19434	1.8
464.03287	0.1
529.30286	0.2
750.59412	0.1
837.39642	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.6
61.98807	0.2
69.03452	0.4
69.20644	0.5
69.21072	0.7
71.01383	0.4
71.05016	2.6
80.02683	0.6
80.96526	0.1
81.03449	1.4
83.05021	0.8
85.06567	0.2
89.02424	0.2
93.03460	0.2
95.05023	1.4
97.02940	0.5
97.06580	0.6
98.03736	0.9
101.02439	0.2
106.04234	0.5
107.05013	0.4
109.02921	0.3
109.06591	8.2
110.03746	0.2
110.06925	0.3
111.04527	3.4
111.08160	1.1
112.05264	0.3
119.05063	0.2
119.08569	0.1
120.05795	0.2
121.06581	0.5
121.10271	0.1
121.33801	0.1
121.93962	0.1
123.04493	0.7
123.08163	1.3
125.09710	0.9
127.07645	1.9
133.10255	0.2
135.08191	0.6
135.11818	0.3
137.06044	0.5
137.09724	1.1
141.09232	0.2
141.12831	0.2
142.02699	0.1
143.10788	1.0
145.06619	1.3
149.06064	0.4
149.09712	0.9
150.10504	0.1
151.11287	0.7
152.11234	0.1
159.08144	0.3
161.09721	0.2
163.11296	1.3
165.09215	0.1
165.12805	0.1
167.10753	1.9
169.12289	0.1
171.10349	0.2
175.11342	0.2
175.65932	0.1
177.09227	0.3
177.12869	0.6
179.10771	1.1
181.12337	0.8
185.11832	1.6
187.11234	0.2
189.12799	0.2
191.14384	1.4
195.12279	0.2
195.13902	2.4
205.12270	0.2
207.10323	0.7
207.11887	0.1
207.17563	0.4
215.14450	0.3
216.15115	0.1
217.15942	0.3
223.13290	0.3
225.11308	0.7
227.18063	0.2
229.15970	0.2
233.15439	0.3
234.86519	0.1
235.13353	1.2
243.17612	0.3
245.19098	6.8
246.19456	0.3
247.17030	0.3
249.14966	0.4
251.16373	0.7
253.09309	1.6
259.13388	0.2
261.18689	0.2
263.20224	0.2
265.18149	0.2
271.17017	1.7
273.14966	0.4
275.20178	0.2
287.16528	1.5
289.18085	100.0
290.18439	7.2
293.21201	3.9
294.21667	0.2
307.19138	29.2
308.19467	2.1
529.29736	0.2
705.13794	0.1
837.40424	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00755	0.2
59.01379	4.1
59.01648	0.3
61.98841	0.6
69.03465	1.8
70.87698	0.8
71.01382	4.2
71.01709	0.3
72.99324	0.5
73.02982	0.7
74.37063	0.2
76.65965	0.3
76.79415	0.3
80.02681	0.4
81.03487	0.9
83.01422	0.6
83.05054	0.9
85.02987	1.2
87.00912	0.8
89.02444	3.2
95.01408	0.3
95.05064	0.7
96.96041	1.0
97.02946	5.8
97.06635	0.8
101.02438	3.9
107.05034	0.3
109.06620	1.0
111.00907	0.3
111.08166	4.4
111.08887	0.3
113.02451	2.2
114.56338	0.3
119.03535	0.9
119.08700	0.4
121.06647	0.4
121.65848	0.3
123.08136	0.3
125.06106	0.4
125.09744	1.2
127.07655	0.5
127.11366	0.2
137.09732	1.8
143.03510	0.4
151.11269	0.3
153.12865	0.8
161.04547	1.5
161.09727	0.4
162.10437	0.3
163.11299	1.6
165.12840	4.3
166.10001	0.3
167.10764	0.6
169.12338	2.3
171.10258	5.4
177.12869	0.5
179.05597	0.6
179.14452	0.8
181.12306	1.5
183.13895	1.3
191.14421	0.3
193.12410	1.2
193.16013	1.0
195.14020	0.4
197.11824	23.7
198.12167	0.9
199.13408	1.2
207.10175	0.4
209.11835	2.4
211.13385	5.1
223.13397	0.9
227.12856	3.5
230.35680	0.3
235.08218	2.8
239.13049	0.3
247.20682	3.4
253.09279	18.1
254.09685	0.9
263.20151	1.5
265.18066	0.8
273.18674	1.7
289.18301	0.4
290.19305	0.3
291.19650	42.4
292.20029	3.0
293.21164	1.3
309.20691	100.0
310.17480	0.4
310.21045	7.7
325.20328	0.4
367.42911	0.3
433.20828	0.5
509.02151	0.3
527.28448	1.1
545.29950	2.2
546.29980	0.5
601.41260	2.1
602.40723	0.4
837.49426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.1
61.98837	0.8
62.87971	0.3
67.01891	0.5
69.03459	1.7
71.01386	4.1
71.55766	0.6
73.02946	1.2
76.40382	0.4
79.62568	0.3
80.02707	0.5
81.03469	0.8
82.57321	0.3
83.01395	0.7
83.05017	1.0
85.02953	1.6
87.00381	0.4
87.00880	1.3
89.02444	3.6
95.01389	0.7
96.96008	1.2
97.02948	6.9
97.06583	1.3
101.02452	3.9
109.06610	0.7
111.08157	3.6
113.02496	2.0
114.23978	0.4
119.03504	0.9
119.08668	0.5
121.10254	0.6
121.88708	0.4
123.08141	0.6
125.09724	2.2
127.07648	0.4
127.11355	0.5
134.18541	0.4
137.06091	0.4
137.09738	2.2
147.71213	0.4
151.11240	0.4
153.09196	0.4
153.12852	0.7
161.04535	2.1
163.11299	2.3
165.12837	4.6
166.09779	0.4
167.14621	0.4
169.12398	1.0
171.10275	6.6
177.12941	0.4
179.05608	0.5
179.10753	0.5
179.14375	0.9
181.12340	1.5
183.13869	1.7
185.11781	0.9
188.26561	0.3
189.12793	0.3
189.88094	0.4
193.12320	2.0
193.15955	0.8
195.13789	0.9
197.11839	15.7
198.12167	0.7
199.13435	0.5
209.11865	3.2
211.13373	6.0
212.13615	0.4
221.11699	0.4
223.13437	1.8
227.12888	3.9
235.08188	2.4
247.20705	3.5
253.09276	19.4
254.09674	0.7
263.20108	1.0
273.18631	2.1
273.58441	0.4
277.21881	0.9
283.78360	0.4
289.18323	0.6
291.19669	44.9
292.20001	3.3
293.21158	3.8
294.21579	0.4
307.19229	0.9
309.20721	100.0
310.21078	8.3
323.22235	5.7
325.20215	1.4
519.88043	0.4
527.28693	0.7
545.29645	3.4
601.41046	3.0
717.52808	0.4
806.41449	0.4
807.11127	0.4
837.50342	2.2
838.51318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.4
60.99947	0.4
61.98840	2.5
69.03453	1.4
71.01376	5.5
71.05027	1.6
71.54963	0.3
73.02948	0.7
78.95947	0.4
81.03473	1.1
82.95417	5.4
83.01425	0.6
83.05032	1.2
85.02962	1.6
87.00885	0.7
89.02452	2.7
95.05048	0.9
96.96015	8.5
97.02966	2.6
97.06604	0.9
98.03732	0.5
100.04491	0.4
101.02444	4.1
106.04257	0.8
109.06587	7.7
109.08286	0.4
111.04551	2.4
111.08162	5.4
112.05309	0.5
113.02448	1.9
119.03492	0.8
121.10184	0.6
123.08170	1.7
125.09684	0.6
127.07672	1.0
137.09712	1.3
143.10818	0.9
145.06604	1.7
149.09691	1.3
151.11299	0.8
153.12796	0.7
159.08052	0.4
160.87267	0.4
161.04570	2.1
161.09743	0.5
163.11292	0.9
165.12825	1.6
167.10782	1.5
169.12306	2.2
171.10240	2.4
177.12816	0.7
179.05592	0.9
179.10771	0.7
179.14473	0.4
181.12334	1.4
183.13957	0.4
185.11861	0.4
191.14418	0.8
193.12323	0.6
195.13858	2.0
197.11838	27.1
198.12109	0.7
199.13347	1.3
209.11842	1.1
211.13397	3.9
221.11906	0.4
223.13382	0.7
227.12910	1.6
235.08188	3.6
235.13445	1.2
245.19086	3.9
247.20647	1.6
251.16498	0.5
253.09297	17.7
254.09734	0.6
260.33890	0.4
263.20236	1.9
265.18100	1.1
271.17004	1.1
273.14990	0.8
273.18414	0.7
287.16608	3.3
289.18094	100.0
290.18408	6.8
291.19666	23.9
291.22995	0.7
292.19983	1.5
293.21075	0.8
305.17413	0.4
307.19159	4.8
309.20706	57.4
310.21060	4.1
433.20667	0.7
525.27045	3.8
526.27283	0.6
527.28693	0.5
536.43683	0.4
545.29602	1.5
581.38495	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	30.7
60.01704	0.3
69.03442	0.3
71.01385	2.5
71.05031	0.7
71.55025	0.2
72.99302	0.2
73.02955	0.7
73.24600	0.2
81.03439	0.3
83.05024	0.9
84.02171	0.8
85.02945	1.8
85.06580	1.4
86.68626	0.2
89.02458	0.6
89.49490	0.2
89.89212	0.2
95.05019	0.3
97.06590	0.6
98.19878	0.6
101.02446	0.7
101.65697	0.2
110.95222	0.2
111.08172	0.5
113.02410	1.3
113.06107	0.4
113.09760	0.4
115.07652	2.6
123.08154	0.8
125.09740	0.5
137.09700	0.6
138.06845	1.9
141.09193	0.5
141.12837	0.2
145.08699	0.3
151.11285	0.7
152.92220	0.2
153.09212	5.7
153.12796	0.3
154.09531	0.2
155.10701	0.3
161.04584	0.5
163.11273	0.7
165.12875	0.2
177.58215	0.2
179.10716	0.4
181.12335	5.1
199.13359	0.3
207.13879	0.5
221.15602	0.3
225.14920	6.1
226.15279	0.4
227.12920	2.0
244.41710	0.2
245.13896	2.5
343.21207	0.5
359.20609	0.2
361.22284	100.0
362.22629	7.9
369.19128	4.2
370.19357	0.5
375.20245	0.2
387.20166	0.9
429.21252	15.1
430.21960	1.0
741.97992	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01727	1.2
62.96766	0.4
71.01381	18.7
71.55659	0.5
72.99309	0.9
73.02944	8.5
75.00854	0.4
83.01386	2.6
85.02946	6.9
85.32640	0.3
87.00898	1.0
89.02441	2.0
95.01410	1.2
96.96009	1.6
97.02937	0.6
99.00841	2.0
101.02443	10.6
113.02451	6.2
115.00407	0.6
119.03552	1.0
125.02464	1.2
131.03471	0.6
133.01422	0.5
137.09718	3.8
139.04041	0.7
143.03510	1.6
149.04585	1.3
151.11322	1.2
155.10773	39.5
156.11087	2.0
159.03026	0.9
161.04547	8.4
161.05853	0.4
163.11267	2.6
181.12315	2.6
187.07582	0.3
189.12891	1.6
189.39000	0.4
199.09744	48.1
200.10117	2.4
203.05603	6.1
203.07256	0.5
205.12285	0.9
207.13855	6.7
207.15598	0.5
208.14337	0.9
213.11171	0.4
213.58760	0.4
221.06635	0.7
223.13438	0.6
225.14954	8.9
226.15355	0.4
241.10872	1.1
275.09265	1.0
276.41678	0.4
284.03210	0.5
285.03763	0.5
300.29404	0.4
309.17206	0.6
325.16516	0.9
361.15015	7.8
362.15451	0.4
369.19208	6.6
370.19733	0.8
376.58698	0.4
385.18851	0.6
387.20175	8.0
388.20853	0.5
388.81033	0.4
411.20380	0.5
429.21259	28.4
430.21661	2.8
457.70544	0.4
828.44977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
61.79234	0.2
61.98833	100.0
62.98540	0.2
68.42709	0.2
71.01362	0.2
75.00897	0.2
75.07701	0.2
78.95940	0.2
80.96516	0.2
82.95407	0.2
84.42762	0.2
96.96004	0.2
104.85990	0.2
112.57508	0.1
118.96572	0.2
151.11176	0.2
156.99080	0.2
192.21667	0.1
232.72337	0.1
253.09439	0.3
277.21942	0.2
289.18088	1.1
290.18500	0.4
309.20801	0.2
397.13779	0.3
453.09161	0.3
454.09564	0.2
520.25513	0.1
714.31421	0.3
737.85394	0.2
775.78839	0.2
861.94305	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	23.6
69.19842	7.2
71.01385	15.4
72.99319	1.3
80.05074	0.9
83.01391	1.2
85.02980	3.6
87.00871	0.8
89.02440	10.3
95.01365	0.9
96.96009	2.6
101.02435	7.0
104.05043	1.2
106.06633	4.3
113.02430	3.5
119.03474	4.0
120.04556	1.1
121.71500	0.8
122.06128	8.5
132.04527	2.2
133.01421	1.0
134.06122	23.3
136.07675	1.1
144.75188	0.8
146.06041	1.0
148.04031	1.0
152.07162	4.9
158.02646	0.8
160.04033	1.2
160.06433	1.4
161.04784	0.9
174.05586	1.4
180.06668	2.1
188.07182	1.4
190.05060	1.5
209.11809	1.7
211.08754	1.6
213.10309	5.6
225.10301	2.3
226.11105	1.1
227.11867	0.8
235.08691	0.9
236.09494	1.0
237.10153	1.7
238.07446	1.2
239.11874	4.4
241.13486	4.0
249.10240	1.6
250.07504	1.2
251.08235	3.2
251.11877	3.9
253.09828	4.8
263.08212	2.7
264.09006	1.4
265.09784	4.7
266.10513	1.3
267.11377	4.4
277.09827	3.6
278.07092	1.5
278.10556	4.1
279.07712	3.6
279.11325	5.6
285.12451	6.9
291.07910	1.9
291.11530	1.0
292.08524	2.9
293.09390	8.2
293.12738	1.4
294.10016	4.0
295.10788	5.8
305.09326	3.3
306.10092	1.5
307.10907	5.3
309.12555	1.0
314.12592	0.9
321.08673	2.4
328.10913	0.9
337.08258	1.7
337.11942	1.2
338.08847	0.8
339.09705	3.9
343.13205	1.1
344.13815	1.1
351.09769	3.5
356.14081	1.4
358.15598	2.4
370.11679	1.4
370.15765	1.8
384.13303	1.8
385.14285	1.1
397.13895	1.5
398.14838	1.5
400.16605	4.1
410.15018	1.4
412.16650	3.1
414.18423	1.1
424.16727	1.3
444.15109	1.5
458.17050	1.9
486.16806	3.1
504.17914	1.3
571.18396	0.9
605.24371	1.3
620.22668	2.8
630.20679	0.8
638.23694	8.3
639.24078	1.2
648.21906	4.9
649.22308	2.0
666.22925	22.7
667.23627	2.9
680.24493	2.7
698.25629	1.9
712.26990	5.4
727.29877	3.3
771.28802	40.9
772.28857	8.1
803.31421	100.0
804.31805	23.3
835.34045	35.0
836.34509	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	833.5629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.0
61.98814	0.5
69.03449	1.0
71.01384	1.6
73.02940	0.3
83.05020	0.4
85.02956	5.2
87.00847	0.3
87.60413	0.2
89.02451	0.5
90.89342	0.2
95.01381	0.3
95.04983	0.3
96.96014	4.1
97.02952	0.9
97.06591	2.6
99.00884	0.2
101.02444	0.5
109.06594	0.4
113.02462	0.4
119.08657	0.2
124.03446	0.2
125.09732	0.9
127.11285	1.0
137.09743	1.5
155.10741	0.4
155.14380	0.4
163.11351	0.3
165.09175	0.3
165.12823	0.8
167.14407	0.5
171.10260	16.5
172.10573	0.7
177.12772	0.5
181.12389	0.2
183.13867	2.2
185.11797	0.7
193.12346	0.7
197.11882	0.4
201.11411	0.3
207.10214	0.7
209.11790	1.7
211.13380	13.8
212.13728	0.7
221.11806	2.4
222.12025	0.2
225.11304	1.0
225.90973	0.2
227.12843	0.3
229.14436	9.1
230.14766	0.6
239.12964	1.2
241.09897	1.2
256.12070	0.5
291.19653	2.3
309.20792	0.8
315.13519	1.4
327.21747	100.0
328.22098	8.9
349.20029	0.2
397.13690	0.4
505.33829	2.1
541.29639	0.4
622.02057	0.2
623.25342	0.3
725.27405	0.4
833.37854	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.0
68.07577	0.1
71.01382	13.2
71.25385	0.2
72.01708	0.2
75.39407	0.1
89.02446	0.2
89.03963	1.0
89.36506	0.1
90.37952	0.1
96.96008	0.5
101.02442	0.2
106.04245	0.2
111.52998	0.1
113.02486	0.2
115.00373	5.2
116.00720	0.2
117.03463	4.2
119.03540	0.1
121.02956	0.2
133.01457	1.3
133.02936	0.4
134.03740	50.3
135.04068	1.7
137.02446	1.3
139.03999	0.4
149.02286	0.1
149.06082	5.7
150.03157	0.2
150.06415	0.3
153.12177	0.1
155.10854	0.2
165.05565	0.1
178.02707	4.9
179.03470	0.3
193.05046	100.0
194.05382	4.7
199.09723	0.2
307.13956	0.4
308.14273	0.2
309.06161	6.0
309.09680	0.3
309.14072	0.2
310.06528	0.4
361.15149	0.1
387.16431	0.6
837.77185	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	831.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45655	1.1
61.98816	3.0
63.96234	1.6
64.83735	1.1
70.20408	2.5
70.20792	3.6
71.01385	6.9
75.41314	1.4
78.95894	1.8
78.98604	6.2
79.95737	31.4
80.46812	1.2
80.96514	78.0
85.02950	2.2
85.10400	1.1
87.00859	2.7
94.98087	18.3
96.96021	1.6
97.02968	1.3
101.02411	1.8
102.54778	1.2
106.98074	3.6
122.97564	4.5
125.02382	2.3
134.97585	5.0
136.99149	2.3
148.99127	7.3
152.98618	6.4
153.04774	1.2
155.35535	1.2
164.98630	9.1
165.15747	1.1
201.53070	1.3
206.99686	2.8
216.77185	1.3
225.00742	18.6
255.23232	3.7
283.05017	2.2
295.22797	1.4
305.56384	1.3
341.05518	2.0
355.06943	1.7
537.27118	1.5
572.55774	1.3
575.25684	2.1
831.49323	100.0
832.49756	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	1.3
59.01375	100.0
60.01721	0.7
66.10136	0.4
66.83060	0.4
69.03446	2.5
71.01376	47.1
71.56120	0.6
72.01735	0.5
72.99304	2.0
73.02942	57.0
74.03291	0.9
75.00863	1.2
79.67293	0.4
81.03436	0.5
81.21238	0.4
83.01384	16.9
85.02942	5.0
86.31088	0.4
87.00871	1.1
89.02435	9.3
91.64691	0.3
91.80836	0.4
95.01376	2.7
96.96004	0.8
97.02946	1.1
99.00898	0.8
101.02436	49.4
102.02750	0.9
113.02441	18.5
114.02730	0.6
115.05052	0.5
119.03500	6.6
125.02401	1.7
131.03491	5.3
133.01373	0.5
143.03490	6.6
147.02905	0.6
149.04559	10.3
155.03513	1.9
161.04547	22.4
175.02312	0.6
191.05421	0.7
203.05531	2.5
211.21330	0.4
221.06633	7.2
229.14400	0.6
230.14592	0.5
234.87515	0.4
371.20395	1.2
413.21295	0.7
546.84576	0.4
730.88440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.4
59.01378	100.0
60.01714	0.9
64.42302	0.2
69.03474	0.8
69.49388	1.5
71.01382	12.9
72.01719	0.3
72.99306	0.9
73.02941	11.8
83.01379	4.0
85.02954	2.9
87.00890	0.4
89.02443	5.1
95.01391	0.9
96.95999	1.5
97.02922	0.3
99.00890	0.5
101.02441	12.4
102.02736	0.2
113.02446	6.2
119.03502	2.7
124.04070	0.3
125.02442	0.8
131.03493	1.5
133.01460	0.2
143.03479	1.4
149.04561	2.7
155.03482	0.3
161.04555	5.1
162.95390	0.2
179.05655	0.7
203.05577	0.5
221.06662	1.8
275.09296	0.3
325.13370	0.3
371.20694	2.0
403.86639	0.3
413.21780	5.7
413.27103	0.3
414.22617	0.5
449.80222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00611	0.3
59.01378	100.0
60.01716	0.8
69.03449	0.4
69.53446	0.6
69.53880	0.8
70.88751	0.2
71.01379	11.3
72.99326	0.4
73.02945	3.4
75.30296	0.2
80.50623	0.3
83.01392	1.3
83.05006	0.2
85.02947	3.4
87.00897	0.5
89.02444	3.7
95.01407	0.8
96.96007	1.4
97.02953	0.3
99.00880	0.8
101.02430	6.2
103.58502	0.2
111.92068	0.2
113.02451	4.3
119.03523	1.8
125.02451	0.3
131.03542	0.4
137.09741	0.2
143.03510	0.7
149.04536	1.0
159.03072	0.5
161.04552	3.6
179.05621	1.8
203.05594	1.9
209.15561	0.4
221.06738	0.6
273.29514	0.2
371.20685	2.0
371.24472	0.2
391.84296	0.2
413.21762	6.4
413.27032	0.4
414.22284	0.5
444.91037	0.2
816.19989	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.8
61.98822	1.8
69.03443	1.5
71.01385	1.5
71.55293	1.5
72.01765	0.7
73.96079	0.8
78.23566	0.7
78.95902	7.4
80.02697	1.4
81.03443	4.2
82.95422	4.4
83.01388	9.4
83.05031	4.1
84.95133	1.9
93.03442	1.1
95.05037	2.9
96.41190	0.7
97.02947	4.6
97.06582	8.4
106.04230	1.9
109.06573	1.9
119.08659	1.1
121.06596	1.2
123.04532	6.9
123.08162	3.5
125.06097	1.2
125.09715	14.1
135.08154	2.6
137.06064	2.4
137.09714	8.1
139.11293	1.1
141.12878	1.4
142.02750	1.2
149.06033	1.9
152.99562	1.6
160.08920	1.1
161.07661	0.7
161.09703	1.6
162.10483	1.1
163.07597	1.9
163.11287	16.9
164.11540	0.9
165.09210	1.5
165.12817	4.1
167.10764	1.7
168.04298	1.2
171.10324	1.6
175.11221	1.1
177.12909	1.0
179.10831	1.2
181.12299	2.9
185.11813	11.3
189.12859	0.9
191.10776	4.1
191.14412	14.8
195.10262	1.0
197.11876	1.0
207.10254	9.4
209.11815	77.5
210.12172	5.1
211.13397	1.2
217.15945	2.0
224.06940	1.2
225.11264	7.7
227.18008	1.4
230.99149	0.7
242.07930	3.6
245.19086	29.2
246.19354	1.8
247.16968	0.9
263.20145	2.6
271.16953	2.4
277.21704	90.2
278.22134	4.8
279.19553	1.0
289.18082	100.0
290.18405	7.7
307.19138	93.9
308.19431	6.9
339.14505	0.7
358.14230	0.8
490.12622	0.8
502.29410	45.6
503.29855	5.1
613.98773	0.8
644.47137	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00652	0.5
59.01379	3.4
61.98825	1.5
68.68147	0.6
69.03448	2.3
71.01379	6.4
71.04999	0.9
71.55927	0.6
78.95908	22.0
80.02679	0.9
81.03461	1.5
83.05030	2.8
90.63123	0.5
93.03466	1.1
95.05029	2.8
96.95995	1.1
97.06593	15.3
98.06931	0.5
106.04230	0.8
107.05039	1.2
108.02215	0.6
109.02908	0.6
109.06586	1.9
111.08177	4.7
121.02986	0.6
123.04549	1.4
123.08235	1.2
125.09698	2.9
127.07646	0.5
134.03732	0.8
137.06078	0.6
137.09714	1.5
147.11829	0.9
147.55026	0.5
149.09697	1.9
151.11287	14.7
152.99605	2.6
153.05611	0.7
153.09242	1.2
153.12863	1.9
155.10756	3.1
159.08093	0.5
161.09712	1.1
163.11279	4.5
165.12845	20.3
166.13132	1.3
167.10767	2.5
168.04298	1.9
169.12325	1.2
173.09688	0.7
177.09074	0.7
177.12857	1.4
179.10794	9.2
181.12341	25.1
191.10788	14.6
191.14432	2.3
192.11290	0.8
195.10254	0.7
197.11801	0.9
205.12405	0.9
207.10258	0.8
209.11827	100.0
210.12195	5.7
211.13399	3.5
224.06920	6.8
225.11299	0.9
227.12871	2.6
239.09248	2.0
242.07991	1.8
245.19098	13.0
246.19315	0.7
253.06847	0.5
256.43091	0.5
261.18652	0.7
263.20093	3.6
271.17142	1.2
275.20233	0.8
277.21729	59.2
278.22092	5.0
279.19690	1.8
289.18088	14.4
290.18491	0.8
307.19150	61.0
308.19504	4.6
502.29413	78.5
503.29810	8.0
794.33185	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.6
61.98845	0.7
69.03471	2.1
71.01383	6.6
71.05013	1.0
71.54999	0.3
73.02944	0.9
80.02681	1.8
81.03443	0.7
82.95432	0.3
83.05018	3.2
84.02170	0.3
85.02977	0.3
89.02448	0.3
93.03461	0.7
95.05021	2.3
96.95992	0.3
97.02946	0.3
97.06580	3.7
99.08176	0.4
101.02458	0.3
107.05054	0.8
107.08675	0.3
109.06573	1.2
111.00816	0.2
111.08157	4.2
113.02457	0.4
113.09722	4.4
115.07647	1.1
123.08189	0.6
125.06142	0.2
125.09697	2.0
127.07695	0.4
127.11265	0.6
129.09232	2.0
134.03693	0.3
135.08153	0.4
137.09727	0.7
139.11293	1.5
144.00667	0.3
145.10196	0.5
147.08226	0.2
147.11786	1.3
149.09689	1.4
151.11279	21.6
152.11664	1.2
153.09207	0.6
153.12849	2.2
155.10783	0.5
161.09709	0.6
163.11290	3.9
163.66290	0.3
165.12840	22.4
166.13170	1.0
167.10770	2.3
169.12326	0.4
171.10124	0.3
173.09666	0.5
177.09177	0.4
177.12903	0.3
179.10782	7.0
179.14377	1.0
180.11078	0.3
181.12335	27.0
182.12648	1.3
183.13852	0.4
189.28152	0.2
191.10770	14.9
192.11084	0.6
193.15971	0.8
195.10251	1.1
195.13930	0.8
197.11826	3.0
209.11821	100.0
210.12175	4.9
211.13371	4.4
225.11249	0.5
227.12857	2.9
229.19649	0.3
247.20656	5.7
248.20869	0.4
251.20117	0.3
253.09314	2.0
263.20175	2.5
265.21741	3.3
273.18552	1.5
277.21735	9.7
278.22101	0.7
281.21219	4.0
291.19656	15.0
292.20007	1.3
309.20697	50.9
310.21100	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	823.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	90.1
64.18530	13.0
71.01381	26.6
71.55621	15.1
79.95726	14.7
80.96500	30.3
96.95981	56.4
99.10553	13.6
109.06664	17.4
111.00799	19.5
155.06094	12.9
171.10309	15.3
197.11916	24.7
209.11871	97.0
227.12878	30.7
253.09286	26.0
289.17798	17.6
289.32718	14.1
291.19620	22.2
295.49002	16.0
309.20728	83.6
310.20871	16.5
527.28955	15.7
686.27301	15.4
763.01239	16.7
823.42120	100.0
824.42639	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
57.50785	0.4
58.00606	0.5
59.01379	6.2
61.98846	0.6
64.19101	0.4
66.48024	0.4
69.03458	1.1
71.01382	5.5
71.54772	0.8
72.90053	0.3
73.02948	1.3
80.96473	0.4
83.01405	0.4
83.05023	0.8
85.02956	2.0
87.00888	1.0
89.02436	4.5
95.01381	0.7
96.96017	0.7
97.02946	2.3
97.06583	0.4
101.02444	5.5
108.07303	0.4
109.06608	0.6
111.00893	2.2
111.08165	7.5
113.02460	3.1
119.03519	1.5
123.08173	0.5
125.09748	0.7
127.07672	0.5
131.03476	0.5
137.09779	0.7
141.09198	0.4
143.03494	0.8
153.12875	1.0
161.04591	2.4
163.11288	1.1
165.12799	1.9
167.10764	0.5
169.12292	3.2
171.10266	1.8
177.12849	0.6
179.05620	1.2
179.10854	0.5
179.14384	1.6
181.12364	1.4
183.13878	0.8
188.52080	0.5
193.12262	0.6
195.13907	8.8
196.14458	0.4
197.11826	37.1
198.12175	1.8
199.13391	2.2
205.12396	1.1
205.16049	0.4
209.11867	1.6
211.13399	6.4
223.13367	6.8
227.12904	1.6
228.13574	0.7
231.21141	0.5
235.08264	1.9
239.16707	0.4
247.20712	1.4
253.09274	30.2
254.09627	1.9
256.13101	0.9
263.20145	1.8
263.82346	0.4
265.18042	1.0
265.21970	0.5
273.18649	1.0
275.20142	5.3
291.19659	23.5
292.20084	2.0
293.21225	100.0
294.21579	8.1
309.20706	68.8
310.20941	5.7
382.44943	0.6
433.20621	1.1
527.28857	0.8
529.30029	1.1
545.29456	2.6
550.72113	0.5
585.16400	0.5
585.41510	3.0
586.41705	0.5
601.21991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.5
59.01382	4.3
59.01649	0.4
61.98834	0.6
69.81269	2.7
71.01369	4.4
71.61564	0.5
73.02970	1.3
83.05035	0.7
85.02979	0.9
87.00884	0.6
89.02417	3.6
95.04977	0.7
97.03033	0.5
98.19992	0.6
101.02435	4.0
107.60248	0.4
111.00916	1.3
111.08157	6.0
113.02446	2.0
119.03526	1.1
127.07701	0.7
130.18983	0.4
143.03549	0.5
151.11333	0.6
152.99585	0.5
153.12813	0.7
161.04541	2.3
167.10857	0.5
169.12335	3.1
171.10294	0.6
179.14412	0.8
181.12334	1.2
195.13892	7.2
197.11823	33.5
198.12170	1.4
199.13416	2.1
205.12349	0.8
211.13380	6.3
223.13368	4.7
224.13625	0.5
227.12860	1.3
228.13725	0.7
235.08215	2.4
247.20590	0.5
253.09261	30.2
254.09740	1.2
256.13245	1.5
263.20135	2.7
265.18127	0.8
273.18555	0.8
275.20129	6.1
279.10440	0.5
291.19644	13.7
292.20148	1.0
293.21210	100.0
294.21542	7.8
294.24628	0.6
302.24319	0.4
309.20691	57.3
310.20972	4.5
358.61246	0.4
433.20840	0.6
492.22333	0.6
529.29730	1.0
538.14056	0.5
545.29364	1.8
585.41547	2.6
586.41608	0.9
770.67072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.1
59.01383	5.3
61.98821	1.6
69.03444	1.6
71.01370	5.8
71.09351	1.2
71.09703	1.8
77.22771	0.8
85.02970	0.9
87.00874	1.1
89.02447	3.4
97.02966	5.2
101.02452	5.1
111.00882	4.5
111.08154	3.3
113.02483	2.0
118.67047	0.8
119.03533	0.9
124.87730	0.7
127.07631	0.8
129.06493	0.8
137.09703	1.4
153.16447	0.9
161.04504	2.8
163.11259	1.2
163.14403	0.9
165.12831	1.9
167.10820	1.3
169.12321	0.9
171.10275	4.6
179.05618	1.5
179.14249	1.0
183.13864	1.2
193.12326	1.9
195.13847	7.1
197.11824	13.1
205.12305	1.1
209.11760	2.1
211.13441	5.0
216.97818	0.8
223.13373	5.7
227.12849	1.5
235.08211	2.5
239.12904	1.0
247.20689	2.4
253.09261	31.7
254.09634	1.3
263.20120	1.3
273.18436	2.5
275.20151	4.6
288.41611	0.9
291.19638	32.9
292.19907	2.4
293.21213	100.0
294.21472	8.3
309.20685	85.1
309.23544	1.1
310.21066	6.1
369.18143	1.0
528.81171	0.8
545.29407	4.0
585.41431	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	821.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	1.0
59.01379	21.9
69.58195	2.3
69.58596	1.6
71.01382	13.6
72.99311	1.2
73.02959	1.0
80.05068	3.1
83.01384	1.1
84.00168	0.7
85.02932	3.2
89.02438	7.7
95.01433	1.0
95.59718	0.7
96.96011	12.6
98.19898	1.4
101.02447	6.5
104.05105	1.1
106.06628	4.2
107.03779	0.8
108.04572	2.1
113.02441	4.7
118.06645	0.8
119.03530	2.6
122.06126	5.0
132.04546	2.1
134.06120	21.2
136.07701	5.1
137.07063	0.8
146.06172	1.9
152.07175	4.3
158.02475	1.0
160.04045	1.6
171.10379	1.2
174.05588	1.4
180.06642	4.4
188.07161	5.1
189.44989	0.7
190.05029	3.2
195.06757	0.7
201.11464	0.7
211.08873	1.0
224.09578	1.7
225.10298	3.7
227.11707	1.5
235.08748	0.9
237.10283	1.4
238.07396	1.3
239.08374	1.1
239.11830	2.0
249.10335	1.9
251.08154	4.5
251.11888	2.5
252.08978	3.1
253.09787	7.2
254.10451	0.9
263.08246	2.3
264.08957	2.1
265.09793	2.9
267.11377	5.7
277.09796	3.7
278.07083	0.8
278.10312	0.8
279.08304	5.2
279.11044	5.8
280.08176	1.0
280.11978	0.7
284.03336	1.1
291.07709	1.3
292.08545	2.9
293.09290	9.2
294.10013	4.5
295.10880	11.5
296.11395	1.6
299.05746	2.6
305.09399	2.5
307.10867	12.3
308.11267	1.3
311.10184	1.1
314.12494	0.8
321.08780	4.9
322.09344	1.0
323.10419	1.4
333.08759	2.7
337.11847	1.3
339.09857	6.6
340.09988	0.9
341.19153	0.8
351.09772	4.7
352.10199	0.8
357.14755	1.1
359.20926	1.6
372.17087	1.4
381.08899	0.7
381.68906	0.7
400.16623	1.2
414.18225	1.9
440.16275	2.4
442.17545	1.6
458.17328	2.3
468.15442	3.2
486.16666	4.4
517.18091	3.8
602.20917	1.1
620.22253	4.5
622.23761	0.8
638.23438	7.3
639.24036	1.0
648.21985	2.8
652.21545	1.1
666.22980	90.2
667.23413	14.9
693.51202	0.8
698.25604	100.0
699.26001	17.2
771.29401	3.4
789.29840	6.4
790.30463	1.6
803.31281	2.5
821.32141	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	819.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17641	0.2
59.01131	0.2
59.01377	4.5
67.01880	0.7
69.51032	1.2
69.51441	0.3
71.01385	1.3
73.87163	0.2
79.05541	0.5
79.95710	0.3
83.01385	0.2
89.02459	1.2
92.92854	0.3
93.07034	0.2
93.85113	0.2
95.05033	0.4
96.96014	5.1
101.02439	0.6
106.06623	0.2
107.03762	0.4
108.04538	0.5
113.02428	0.3
115.00311	0.3
119.03511	0.4
120.04543	2.6
121.05343	2.3
122.06116	6.9
122.72948	0.2
132.04518	0.5
133.01408	0.4
134.03757	0.2
134.06126	2.9
134.17314	0.2
135.06915	1.3
136.07678	12.1
137.08015	0.5
146.06126	0.3
148.07684	0.4
151.04044	0.2
152.07111	0.4
158.02399	1.1
158.06067	0.2
160.04012	0.3
160.06256	0.3
161.07211	1.0
162.05576	0.3
171.11818	2.2
172.07693	0.2
179.03645	0.2
184.07646	0.3
186.09186	0.8
189.10291	0.4
190.05077	4.9
191.05473	0.3
192.06654	0.3
198.09229	1.7
199.10022	1.2
200.05850	0.2
208.16347	0.2
212.10803	0.4
213.06656	0.3
214.07515	0.7
214.12354	11.9
215.12646	0.7
225.06628	0.3
226.07491	0.8
227.08241	2.3
228.09036	1.0
229.09808	5.5
229.13278	0.2
230.06897	0.3
230.09700	0.3
230.11867	4.7
239.11836	0.4
240.10254	0.2
241.09790	7.9
242.10576	16.7
243.10887	0.9
255.11328	0.2
256.12079	0.8
257.12930	84.6
258.13254	5.9
274.09525	0.3
283.10669	0.4
293.10187	0.3
300.11206	0.4
301.11902	100.0
302.12244	7.7
304.02908	0.2
314.12350	0.4
323.10416	0.3
337.11887	1.5
338.12613	0.5
357.14209	0.2
366.64987	0.2
517.18219	22.0
518.18481	3.3
743.29492	0.3
747.28082	0.4
775.32092	0.7
787.28430	1.0
788.27362	0.2
819.30768	3.1
820.31012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.5
66.36863	0.4
67.01894	0.7
69.03448	0.5
70.55325	1.3
71.01374	3.2
71.44948	0.4
78.13094	0.4
79.05511	0.7
79.95725	0.9
85.02950	0.7
89.02440	1.0
90.62954	0.5
92.92772	0.7
95.05027	1.0
96.96008	28.6
100.16637	0.4
101.02441	1.2
102.34411	0.5
108.04540	0.6
111.00922	0.4
115.00368	1.7
119.05067	0.5
120.04523	2.5
121.05331	1.9
122.06123	5.6
123.04589	0.5
132.04620	0.5
133.01459	2.2
133.02946	0.6
134.03735	1.6
134.06107	2.7
135.04517	1.2
135.06911	1.1
136.07664	10.5
137.02438	0.5
141.23277	0.4
146.06125	0.5
158.02454	1.0
161.07242	0.6
162.05611	0.7
171.11766	2.2
177.01909	0.5
178.02690	1.6
190.05077	5.3
198.09200	1.3
199.09941	1.8
209.11797	0.7
214.12367	10.4
215.12544	0.6
227.08214	1.7
228.09004	0.9
229.09834	4.2
230.11852	3.7
241.09784	6.9
242.10594	15.7
243.10847	0.7
251.72409	0.5
256.12119	0.5
257.12943	81.1
258.13257	5.2
293.10342	1.2
301.11917	100.0
302.12247	8.3
337.11771	1.6
428.32416	0.4
517.18237	23.0
518.18542	2.7
775.32141	0.5
787.28650	1.2
819.30994	3.7
820.33319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	2.0
66.03473	1.0
71.02512	0.7
71.34292	0.5
71.55582	0.6
71.94569	0.4
78.95889	0.5
80.96490	0.4
82.06615	1.6
84.08192	0.5
87.05698	4.5
94.06620	1.0
97.04068	1.0
98.02487	0.8
110.03659	0.8
111.01970	0.5
112.07671	1.3
113.03568	0.6
118.00988	0.4
118.06613	0.8
121.04076	1.9
127.08811	1.0
129.10341	17.2
130.08740	2.1
131.05066	0.6
139.08757	3.4
140.07185	3.2
146.06090	2.0
153.10312	0.9
155.08272	3.6
155.11852	1.2
164.07193	0.6
164.09544	3.2
165.10321	4.8
167.08180	0.7
174.05409	0.5
177.10280	0.4
180.11389	0.9
182.12958	2.2
183.11406	2.1
195.14987	0.8
197.16539	2.2
200.14024	5.2
207.15016	13.7
208.13394	0.8
208.15321	1.0
216.13901	0.5
224.17677	6.7
225.16069	3.2
231.15060	0.6
241.13411	2.3
242.11720	2.3
242.18710	10.4
243.19025	0.8
259.14441	4.3
268.16638	0.9
268.20102	0.4
276.17038	1.6
295.21344	5.5
310.25009	0.9
312.17130	2.4
313.22473	4.4
317.28107	0.4
329.19760	1.1
330.18103	2.8
337.26086	7.3
347.20819	1.2
355.27075	3.7
371.24298	0.8
383.30859	0.5
389.25369	1.5
425.25397	0.5
426.30774	0.8
443.26563	0.9
450.33954	0.8
468.35162	0.6
539.39435	3.2
556.35150	1.0
573.37769	2.1
615.42157	0.5
782.51819	100.0
783.52100	21.6
783.66785	0.7
818.49622	14.2
819.50482	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	818.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05136	0.1
60.82652	0.1
61.80195	0.1
61.98827	100.0
71.01377	0.2
71.56061	0.2
78.95906	0.6
80.96512	0.5
95.99483	0.1
96.96014	0.2
116.92918	0.1
127.11340	0.2
146.50403	0.1
152.99638	0.3
167.92818	0.2
171.10301	0.4
191.81012	0.1
197.11833	0.2
203.63902	0.1
209.11882	0.2
211.13451	0.3
214.63065	0.1
225.00854	0.3
229.14520	0.2
237.96855	0.2
251.31169	0.1
309.20621	0.4
311.22308	0.1
329.23505	0.4
367.75354	0.2
391.06052	0.2
818.48633	1.8
819.37628	0.4
819.51550	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01712	1.0
61.98830	90.5
66.18797	0.5
69.03474	0.6
70.85245	0.5
71.01392	2.9
71.31927	0.9
73.02934	0.7
80.96503	1.2
85.02962	0.8
87.00903	0.6
89.02448	1.9
89.63699	0.5
96.96000	0.5
96.99309	1.9
97.02947	1.3
100.13082	0.5
100.20429	0.5
101.02426	1.7
119.03552	0.7
125.02458	0.8
141.01704	51.6
142.02060	0.7
142.05023	1.4
171.10234	0.6
181.86182	0.5
197.11751	1.6
219.18568	0.6
229.02017	0.7
235.08383	0.5
277.21677	6.1
309.20523	0.8
311.22205	0.6
359.21997	3.4
397.13583	9.6
415.14484	1.6
419.11563	1.3
437.13013	3.3
545.19940	0.6
675.35425	1.5
697.33905	2.5
705.61353	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.1
61.98829	100.0
71.01359	0.1
75.00871	0.2
75.47612	0.1
78.95918	0.1
80.96517	0.2
90.18369	0.1
96.96024	0.2
100.06113	0.1
195.74538	0.1
197.11714	0.1
206.10933	0.1
211.13437	0.1
223.13406	0.6
224.13754	0.4
225.14024	0.2
253.09485	0.1
292.20053	0.1
309.20749	0.3
310.21201	0.3
312.21942	0.1
325.20798	0.1
647.34845	0.1
754.42218	0.1
815.50092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
59.01386	1.1
65.91180	0.1
68.22173	0.1
69.03445	0.3
69.27375	1.2
71.01385	1.2
71.05013	0.6
72.99318	0.2
73.02951	0.7
75.45638	0.1
80.95286	0.2
81.03466	0.2
83.05019	1.4
83.37646	0.1
84.02184	0.9
85.02951	1.7
85.06580	1.9
87.04520	0.9
89.02440	0.5
95.01376	0.3
95.04990	0.3
96.80054	0.1
96.96006	0.5
97.02949	0.2
97.06599	0.7
99.04509	0.2
101.02449	0.6
109.06583	0.2
111.08156	0.7
113.02460	1.6
113.06080	0.4
113.09733	0.2
115.07655	2.4
123.08161	1.1
125.06058	0.2
125.09705	0.8
134.04718	0.3
135.08133	0.5
136.84570	0.1
137.09715	2.6
139.07710	0.2
139.11249	0.2
141.09215	0.9
141.12836	0.2
145.08667	0.3
149.09673	0.2
151.11258	1.0
153.09198	2.4
153.12807	0.7
154.09572	0.8
155.10791	5.0
156.11162	0.4
157.08730	0.3
161.04573	0.6
161.09662	0.2
163.11279	0.7
164.30609	0.2
165.09106	0.2
167.10732	0.1
169.12312	0.6
179.10652	0.2
181.08731	0.5
181.12341	5.8
182.12709	0.3
197.08189	3.1
198.08546	1.4
199.09798	7.0
199.13307	0.4
200.10144	0.5
209.11844	0.3
213.11311	0.4
221.15379	0.3
227.12875	2.5
241.10789	2.4
245.13918	3.3
246.14111	0.2
301.12811	0.3
319.13898	0.2
343.13818	0.3
343.21127	0.5
359.13495	0.5
360.13849	0.7
361.14899	3.7
361.22284	100.0
362.15497	0.4
362.22629	8.8
511.65646	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
75.00870	0.3
79.10920	0.2
93.03441	1.3
103.10001	0.2
137.02426	3.0
176.66982	0.2
188.86705	0.3
208.66064	0.2
249.33334	0.2
327.13641	0.3
394.75082	0.2
439.51813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
59.01106	0.8
59.01383	10.6
61.98825	1.8
69.03465	2.8
69.43364	0.5
70.83626	0.9
71.01385	4.5
71.05008	1.3
73.02931	0.7
82.37759	0.5
83.01357	0.7
83.05024	0.9
85.02953	0.6
87.00893	0.7
89.02448	3.3
95.01363	0.6
95.05004	0.6
96.95991	0.5
97.02946	2.3
101.02445	3.2
108.05785	0.6
109.06587	1.5
111.08174	5.0
113.02462	2.5
117.72910	0.4
119.03510	1.1
125.09750	0.9
126.71848	0.5
127.07652	0.7
137.09702	0.7
139.11357	0.5
145.05078	0.6
149.09700	0.5
151.11250	0.8
153.09236	0.5
161.04552	1.6
161.13368	0.5
163.11340	1.2
165.12828	1.6
167.09583	0.6
167.10777	3.2
169.12325	2.1
171.10269	1.4
172.76440	0.5
177.12811	0.6
179.05618	0.8
179.10823	1.4
179.14407	3.1
181.12430	0.5
187.15176	0.5
193.12331	0.7
195.13914	10.0
196.14267	0.7
197.11844	22.8
198.12207	0.7
199.13391	1.5
205.12328	10.5
206.12779	0.8
209.11710	1.0
211.13359	3.2
223.13399	100.0
224.13780	5.9
227.12891	1.0
235.08238	5.9
244.77034	0.5
247.20665	1.4
253.09300	13.9
254.09680	0.5
263.20096	1.4
265.18076	0.6
273.18655	0.9
291.19672	18.8
292.19946	1.4
309.20724	53.9
310.21100	4.9
382.92593	0.5
385.82309	0.5
459.22336	15.5
460.22769	1.3
487.92770	0.5
511.84183	0.5
515.33929	1.3
527.28748	1.0
545.29651	3.6
699.00732	0.5
751.42883	4.1
752.43512	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
59.01377	1.0
61.00937	0.1
62.66598	0.1
71.01378	0.3
83.05019	0.2
96.95997	0.1
97.06568	0.3
98.20762	0.2
101.02414	0.1
113.09721	1.3
177.12799	0.4
179.14381	0.7
181.12337	0.3
181.93076	0.1
195.13893	13.0
196.14244	0.7
229.74242	0.1
233.22710	0.3
251.23734	0.3
253.09264	0.6
277.21701	14.9
278.22037	1.3
278.69827	0.1
293.21255	0.2
295.22760	100.0
296.23108	8.4
296.26636	0.2
395.58582	0.1
630.29785	0.1
655.35345	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	807.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	20.7
59.02486	15.9
61.98829	44.2
71.01392	11.5
71.55253	10.6
87.04499	21.6
89.02426	10.4
111.00892	62.0
111.60274	7.0
112.01240	9.6
131.02596	7.8
131.03467	44.4
131.07118	36.4
171.10233	10.3
173.00937	15.0
189.13094	8.4
195.13951	9.9
209.11780	100.0
227.12834	16.2
253.09163	13.6
293.21243	64.5
397.13654	14.1
434.52481	8.6
445.20645	19.0
642.77081	10.9
807.42694	63.5
808.43127	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	807.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.1
65.10197	1.0
65.20818	0.9
71.01379	1.6
85.02924	1.2
96.95999	3.7
101.02414	1.3
134.03711	3.3
193.05040	4.2
212.57603	0.9
319.90051	1.2
377.18079	4.3
421.16327	100.0
422.16638	10.7
595.47638	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01379	100.0
60.01724	1.3
61.98820	0.5
69.51179	1.4
69.51594	1.0
71.01379	11.4
72.99268	0.4
73.02943	7.8
83.01397	2.6
84.92167	0.4
85.02940	2.9
85.03319	0.3
85.43407	0.4
87.00874	0.4
89.02450	3.6
95.01400	0.4
96.95992	2.7
97.02976	0.7
99.00891	0.5
101.02440	10.3
113.02440	4.5
115.00426	0.5
119.03500	1.9
120.01251	0.4
125.02462	0.6
131.03531	0.7
133.01422	0.6
134.03717	0.5
137.02454	0.4
143.03491	1.0
149.04585	2.3
161.04549	4.8
165.02042	0.4
179.03497	0.7
179.05670	0.4
180.04266	0.5
181.05231	0.4
195.06662	0.8
203.05699	0.6
203.12883	0.4
211.17021	0.4
221.06743	1.2
237.36359	0.3
268.03793	0.5
303.14618	0.6
369.13727	0.4
373.22275	3.5
374.22736	0.5
415.23453	4.8
431.10092	0.7
491.37146	0.4
786.94989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.9
59.01138	0.2
59.01382	1.8
61.98830	1.3
67.62583	0.2
70.55019	0.2
71.01374	0.7
71.05028	1.4
78.95914	0.3
80.96519	0.3
83.05013	0.6
89.02424	0.2
95.05004	0.7
96.96008	0.4
97.06586	0.6
98.20703	0.2
101.02475	0.2
109.06608	0.4
111.00882	3.3
111.08163	8.2
113.02454	0.2
113.09727	0.5
121.06608	0.3
123.08173	0.2
126.90472	0.2
135.11790	0.5
137.09703	0.7
139.11311	0.3
149.09715	0.4
155.10841	0.3
167.10754	2.0
173.00865	0.6
177.12859	1.4
179.10783	1.8
193.15903	0.3
195.12077	0.3
195.13892	6.2
196.14185	0.2
203.14507	0.3
207.13873	0.3
225.00768	0.2
235.17079	0.2
247.20689	2.6
248.20940	0.3
253.09264	0.9
273.18613	1.2
277.18887	0.4
277.21744	5.7
278.21933	0.4
291.19653	100.0
292.20007	8.8
421.40744	0.2
444.41284	0.2
639.08099	0.2
805.40521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85929	5.1
59.01373	13.8
61.98829	49.5
71.01366	9.9
71.56256	10.9
88.98800	7.1
89.02391	7.1
96.96008	21.5
97.02979	5.0
101.02436	6.2
108.98965	5.7
165.12709	8.9
171.10225	16.8
177.99841	5.2
201.11404	6.5
207.10091	5.9
209.11890	6.6
211.13393	18.2
223.13382	88.8
225.11365	5.9
235.08185	25.9
253.09294	39.1
266.61975	6.3
309.20630	20.9
327.21658	100.0
328.22104	8.3
459.22507	36.3
545.29755	19.7
563.30695	20.3
568.29395	6.5
769.43945	49.0
770.44055	12.9
805.41089	83.7
806.41553	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	805.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00571	0.3
59.01373	2.4
59.92114	0.3
61.98831	0.9
71.01373	2.3
71.55013	0.3
76.29302	0.3
78.95891	0.4
85.02962	0.6
87.00880	0.4
89.02442	1.5
96.96002	0.5
101.02428	2.1
101.97105	0.3
103.85214	0.3
111.00884	0.5
113.02444	1.0
119.03453	0.6
161.04544	0.9
179.05649	0.4
179.10762	0.5
179.14452	0.5
181.12387	0.3
192.52260	0.3
195.13918	7.7
196.14476	0.6
205.12424	0.4
205.15961	0.4
211.13353	0.7
223.13380	5.0
228.13632	0.7
231.21126	0.5
235.08244	0.9
249.11076	0.4
253.09293	16.7
254.09726	1.0
256.13138	1.1
265.21671	0.6
275.20142	5.5
276.20395	0.3
293.21222	100.0
294.21552	8.1
306.49979	0.3
492.22095	0.4
529.30255	1.3
569.42175	1.4
570.42261	0.5
690.67902	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
61.98833	1.3
63.84231	0.1
71.01385	0.6
71.55774	0.2
71.63248	0.1
78.91866	0.1
78.95904	0.5
79.95735	3.5
85.02956	0.2
89.02467	0.1
96.96011	100.0
97.95948	0.3
98.95607	0.1
101.02431	0.1
113.02462	0.1
115.00349	0.2
121.02975	0.2
153.50511	0.1
162.03162	0.1
171.10231	0.2
185.00856	0.1
197.11865	0.2
207.10219	0.1
209.11780	0.2
211.13350	0.2
223.13428	0.1
275.09241	0.2
327.22107	0.1
397.13174	0.1
435.08047	0.1
453.09326	0.3
773.29291	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00573	1.0
59.01378	67.3
60.01704	0.7
61.98828	1.7
70.45062	2.5
71.01382	16.8
72.99291	1.6
73.02935	2.5
79.95733	1.3
80.05052	2.0
80.96518	0.9
83.01374	1.4
85.02948	4.5
87.00876	1.1
89.02441	8.6
91.33568	0.6
94.98069	0.8
95.01389	1.9
96.96008	28.3
97.02919	0.8
99.00867	1.8
101.02449	9.6
106.06632	3.4
108.04529	0.7
113.02425	5.7
119.03487	2.6
120.04548	0.9
122.06124	7.8
123.06428	0.7
125.09761	1.0
132.04568	2.8
133.01407	1.0
133.05360	0.7
134.06119	19.3
148.03998	0.8
150.29854	0.8
152.07149	3.1
160.06400	2.9
161.04588	2.5
171.10287	1.4
174.05562	1.4
190.05119	2.4
197.07230	0.8
211.08607	0.9
213.10310	16.2
217.15108	0.7
225.10300	1.4
226.11081	1.7
227.11938	0.8
235.08539	0.9
237.10358	0.8
239.11876	8.4
241.13437	7.4
242.14014	0.7
251.11835	2.2
251.97864	0.8
257.13852	2.4
267.11584	1.0
277.09875	0.8
285.09225	1.0
285.12421	21.0
286.12607	2.0
293.12973	1.4
295.10959	0.8
305.09393	1.5
314.12643	0.8
315.18237	3.6
327.21661	1.3
328.10925	1.6
337.11902	1.9
340.14551	1.8
342.12384	2.0
343.13162	1.9
355.13232	1.4
356.13846	1.9
356.17761	1.1
357.14798	1.5
357.19275	1.8
358.15598	7.4
358.19623	1.3
359.16345	1.0
370.11801	1.5
370.15646	1.7
372.17105	1.7
382.15588	0.9
384.13025	3.6
384.17694	1.4
396.13425	1.0
397.14307	2.3
398.14996	3.2
399.15823	1.2
400.16574	6.2
412.16742	6.5
413.16751	1.0
426.14499	2.1
438.14651	0.9
444.15579	2.1
475.17087	1.0
505.22134	1.2
517.18274	2.0
727.30182	4.3
728.30322	1.3
743.29736	0.8
753.27417	1.1
771.28790	100.0
772.29120	22.6
772.43140	1.0
803.31299	22.0
804.31653	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	803.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.1
59.01366	0.3
61.98834	0.9
68.99601	0.1
71.01366	0.2
71.55981	0.2
78.95893	0.3
79.95739	3.6
80.96519	0.2
82.79301	0.1
83.01410	0.1
83.25494	0.1
85.02985	0.1
89.02486	0.1
94.98096	0.1
96.96013	100.0
97.95950	0.3
98.95641	0.2
101.02428	0.2
115.00365	0.1
133.01418	0.1
134.04749	0.1
134.52754	0.1
171.10239	0.2
179.10774	0.2
209.11807	0.1
211.13414	0.3
223.13365	0.2
225.11357	0.1
235.08099	0.1
327.21506	0.2
471.15512	0.2
617.80176	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	803.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.98825	1.1
71.01375	0.3
71.01737	0.1
71.55023	0.1
71.55482	0.1
78.95891	0.4
79.95733	3.7
80.96528	0.2
89.37408	0.1
94.92478	0.1
94.98093	0.1
96.96008	100.0
97.95925	0.4
109.06654	0.1
171.10294	0.1
211.13441	0.2
253.09167	0.1
345.13867	0.1
453.08856	0.1
471.15271	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.3
59.01640	0.1
61.98826	0.3
69.52742	0.4
71.01369	0.2
75.17664	0.1
78.95901	0.5
79.95736	3.8
80.96504	0.1
85.02936	0.1
89.02455	0.1
93.03432	0.1
94.98080	0.1
96.96009	100.0
97.95950	0.3
97.96490	0.1
98.20619	0.1
101.02451	0.2
109.02908	0.1
112.98578	0.1
115.00401	0.1
121.03032	0.1
134.06096	0.2
137.02426	0.1
171.10287	0.1
199.22401	0.1
201.58640	0.1
204.87030	0.1
213.10287	0.1
239.11990	0.1
241.13504	0.1
267.06592	0.1
285.12540	0.1
289.18048	0.1
292.27234	0.1
308.66254	0.1
339.43619	0.1
343.21246	0.2
345.13834	0.2
358.15408	0.1
368.24353	0.1
412.16428	0.1
453.09213	0.1
725.27057	0.1
727.29932	0.1
771.28784	0.5
772.29828	0.1
803.31317	0.4
804.30878	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	803.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
61.98827	1.1
71.01380	0.4
71.55704	0.2
72.04822	0.1
78.95895	0.5
79.95734	3.5
80.96516	0.2
81.62160	0.1
92.92826	0.2
96.96011	100.0
97.95950	0.2
98.95610	0.2
101.02423	0.2
116.92823	0.1
133.01407	0.1
171.10257	0.3
209.11850	0.3
211.13405	0.3
247.64832	0.1
255.12263	0.1
256.12711	0.1
471.15109	0.2
511.61215	0.1
666.59705	0.1
804.38464	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	799.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.2
58.00603	1.6
59.01379	32.8
61.98828	6.6
69.03449	1.5
71.01382	100.0
71.12550	1.6
72.01722	1.2
72.99300	2.3
73.02935	5.4
75.12044	0.8
80.02672	1.4
81.03439	4.0
83.01372	2.5
83.05034	3.4
83.23025	0.8
85.02947	7.3
87.00876	4.9
89.02441	20.1
90.49884	0.7
93.03436	0.7
93.16485	0.8
95.01389	1.5
95.05019	1.4
96.96026	5.8
97.02950	10.4
97.06587	1.7
99.00879	2.9
101.02440	18.1
106.04236	0.9
107.05007	1.4
109.06587	30.1
110.03776	1.6
111.08195	1.0
113.02451	9.5
115.00406	0.8
119.03519	7.8
121.06570	1.3
125.02438	7.0
125.09692	1.6
133.01433	1.8
135.08156	2.9
136.05261	1.8
141.01918	1.5
142.02721	1.8
143.03477	2.7
149.09663	1.0
155.10770	0.9
161.04515	4.7
161.09695	1.8
163.11284	17.4
164.11571	1.7
165.09172	0.8
171.10278	10.5
179.05603	4.1
181.12349	8.0
182.12659	1.0
185.11900	1.9
189.09169	1.7
197.11989	1.2
199.09746	3.1
199.13313	0.8
199.72807	0.8
201.11328	8.7
207.10258	67.0
208.10564	4.1
209.11809	2.7
213.13008	0.8
221.06621	2.1
225.11305	60.2
226.11646	3.0
235.08205	5.3
243.12392	4.8
253.09335	2.2
287.07620	0.8
299.14954	1.8
305.08844	0.8
397.13495	27.7
398.13486	2.0
415.14514	20.0
416.15005	2.0
443.18878	1.3
453.09494	1.1
479.61554	0.9
597.24347	1.3
605.24585	1.0
623.25537	39.2
624.26105	14.1
625.26727	0.9
641.26672	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.1
58.00587	1.9
59.01377	33.9
61.98829	3.8
68.99834	1.3
69.03460	1.8
69.90852	0.6
71.01380	100.0
72.01717	1.4
72.99302	2.4
73.02942	6.3
74.54312	0.6
75.00864	0.7
75.20577	0.6
80.02661	1.1
81.03455	4.2
83.01387	2.5
83.05040	3.0
84.02158	0.7
85.02943	6.8
87.00875	4.9
89.02442	21.6
93.03436	1.1
95.01384	1.7
95.05038	1.6
96.96011	2.1
97.02955	11.0
97.06590	1.6
98.20660	1.8
99.00877	4.0
101.02441	18.8
103.03955	0.7
106.04276	0.6
107.05015	1.6
109.02951	1.1
109.06593	31.5
110.03729	1.4
111.04510	1.0
113.02435	9.9
116.92896	0.7
119.03486	7.3
121.06591	2.1
123.08167	1.1
125.02446	6.4
125.09724	1.5
127.11290	1.1
129.01907	0.7
130.80508	0.7
131.03499	0.6
133.04976	0.8
135.08159	3.8
136.05338	1.1
139.04002	0.9
141.01915	1.2
142.02684	4.1
143.03503	3.2
146.95299	0.7
147.38525	0.7
149.04613	0.9
155.10742	1.4
161.04547	4.7
161.09740	2.7
163.11275	17.6
163.12546	1.2
171.10251	7.4
179.05609	5.1
181.12326	7.7
181.13759	0.8
185.11815	1.7
189.09174	0.9
197.11832	1.6
199.09793	2.4
199.13403	1.4
201.11307	8.6
207.10249	76.1
208.10597	3.2
209.11859	3.0
215.12852	1.9
217.94563	0.6
221.06654	2.3
225.11308	61.9
226.11617	3.9
235.08177	6.0
243.12398	4.1
253.09239	1.9
263.07809	1.3
287.07758	1.3
291.49966	0.7
299.15021	0.8
305.08890	1.3
327.21613	0.9
397.13504	30.4
398.13818	2.7
415.14557	22.9
416.15079	1.6
461.20334	0.9
492.82166	0.7
597.24207	1.4
605.24475	1.6
623.25549	46.9
624.26080	15.3
625.26776	1.0
641.26959	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	798.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88230	0.2
59.01363	0.2
60.22700	0.2
61.98830	100.0
62.98542	0.2
65.55410	0.2
71.54765	0.4
78.95919	0.7
80.29980	0.2
92.01421	0.2
131.52596	0.2
152.99606	0.4
166.48793	0.2
211.13481	0.2
212.02266	0.2
223.13445	0.5
224.13666	0.5
245.04161	0.2
277.90320	0.2
293.21326	0.4
294.21799	0.3
481.26056	0.5
482.26086	0.7
798.45679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47887	0.5
57.03449	0.8
58.00581	0.8
58.02839	0.6
61.98819	0.7
64.66885	0.6
67.56102	0.6
69.71782	1.3
69.72187	2.2
71.05033	1.4
73.81583	0.6
83.04984	0.6
96.96003	2.4
97.02983	0.8
111.08154	11.6
115.24745	0.6
123.08185	0.8
127.07639	0.6
137.09587	0.8
153.12798	0.7
169.12357	4.4
171.10268	2.6
181.12311	0.7
194.54056	0.7
197.11818	50.4
198.12247	3.4
199.13396	2.0
209.11807	1.2
209.15627	0.8
211.13405	4.6
227.12941	1.8
263.20181	2.3
265.17984	1.7
273.18686	0.8
291.19644	15.7
292.20044	1.3
306.80234	0.6
309.20691	100.0
310.21017	8.4
467.31702	1.4
469.33234	11.6
470.33530	1.2
487.34262	80.9
488.34589	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	797.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
57.55997	0.4
59.01370	0.8
61.98813	1.3
69.03436	1.4
71.01360	0.6
71.05009	3.5
71.55692	0.7
71.56921	0.4
75.61452	0.4
77.68363	0.4
80.95098	0.5
83.05016	1.1
95.05013	0.4
96.96027	3.1
97.02961	4.6
97.06586	0.7
106.63700	0.4
109.06612	0.7
111.08153	1.9
119.08717	0.5
125.09710	1.1
127.07637	0.6
134.34390	0.4
135.39648	0.4
137.09706	1.8
141.94421	0.5
153.12900	0.4
153.31569	0.5
163.11261	0.8
165.12865	2.1
169.12286	0.6
171.10254	4.5
177.12906	0.5
179.14365	0.8
181.12273	1.0
183.13870	0.7
193.12289	1.7
193.25235	0.5
195.13876	2.5
197.11826	5.8
209.11780	1.5
211.13377	2.4
221.15446	1.0
223.13405	1.5
223.42603	0.4
227.12854	1.4
247.20645	3.1
273.18637	1.6
291.19635	24.4
292.19974	2.2
309.20685	100.0
310.21082	8.0
373.27475	0.6
409.30746	0.7
487.34271	79.7
488.34583	10.8
691.50043	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.7
59.01104	0.7
59.01384	10.5
61.98834	1.3
62.09787	0.4
69.03460	2.8
70.56112	0.9
71.01391	4.1
71.05021	0.5
71.12366	0.4
72.19647	0.4
72.99349	0.4
73.02930	0.6
78.95906	0.6
83.05059	0.7
85.02966	0.8
87.00860	1.1
89.02445	3.1
95.05015	0.6
95.57446	0.4
98.07017	0.4
101.02441	3.4
109.06585	1.0
113.02445	2.3
119.03537	0.9
149.09712	0.5
161.04556	1.6
167.10765	3.1
171.10211	0.5
177.01852	0.5
177.12846	0.7
179.05620	0.6
179.10800	1.3
179.14386	4.4
195.13902	15.7
196.14265	1.0
205.12346	10.8
213.42006	0.5
223.13390	100.0
224.13696	6.6
225.14932	0.6
235.08223	6.5
253.06657	0.9
253.09286	16.6
265.21625	0.7
275.20221	4.0
285.24924	0.5
293.21234	79.1
294.21588	6.3
331.52161	0.5
441.21283	0.6
441.49429	0.5
445.02933	0.4
459.22369	18.4
460.22705	2.8
499.34164	1.4
529.30145	3.0
735.42969	5.2
736.43683	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	793.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40830	0.3
57.03445	1.2
58.00608	0.3
58.79020	0.3
59.01379	100.0
59.17293	0.3
60.01704	0.7
67.99593	0.3
69.14877	0.3
71.01385	8.2
71.05042	0.5
71.54456	0.5
73.02941	2.2
75.00874	0.3
77.86167	0.3
83.01408	0.9
85.02942	3.2
89.02451	3.7
95.01396	0.9
95.05016	0.5
96.96014	6.4
97.02967	0.6
98.20675	0.3
99.00917	1.0
101.02436	4.5
107.13002	0.4
107.27914	0.4
111.08176	1.6
112.66245	0.3
113.02451	4.3
119.03529	1.1
136.07643	0.9
137.09711	0.5
138.05739	0.8
138.06837	5.2
149.02443	0.8
150.03267	1.4
151.00327	0.4
151.04044	0.4
153.09209	15.1
157.08698	6.1
161.04535	2.3
165.05585	1.4
166.02736	0.8
171.10272	1.9
179.05614	0.4
181.05127	1.2
195.06660	1.0
207.13956	1.2
223.13622	1.0
225.14954	20.4
226.15321	1.5
251.11415	1.1
257.42773	0.4
311.05688	0.5
319.13959	15.8
320.14371	1.2
361.22516	1.4
369.19150	17.6
370.19635	1.4
387.15555	0.8
387.20163	3.7
388.15811	0.4
399.14182	1.5
429.21262	38.7
430.21619	5.1
431.09885	0.7
442.36279	0.4
613.23712	0.5
631.24036	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23086	5.2
59.01368	18.7
61.98831	60.4
70.89305	5.4
71.01370	14.4
71.25108	11.7
73.02911	6.8
78.95889	7.8
96.96017	22.0
97.23479	5.0
109.06584	18.0
113.02447	5.4
114.93501	6.0
116.92853	8.5
125.06165	5.3
161.02464	6.5
171.10286	32.1
183.13896	7.6
195.13931	7.6
199.09727	33.3
201.11322	11.9
207.10213	49.8
211.13365	6.0
225.11313	58.4
235.08163	12.3
253.09264	34.6
275.19992	9.2
293.21222	100.0
294.21786	12.1
366.98837	6.4
369.96802	6.7
435.18805	6.6
443.19412	14.5
460.31360	6.0
461.20114	20.1
529.30145	6.5
553.48914	6.6
711.39581	86.5
712.39764	17.1
719.39459	8.2
737.40900	56.5
738.41443	10.4
755.41968	18.1
791.39581	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76672	0.2
59.01377	0.9
61.98827	1.9
69.95406	0.8
71.01380	0.6
73.02942	7.5
75.00877	0.8
75.73817	0.2
79.91956	0.2
87.00900	0.2
89.02436	0.6
99.00880	2.0
99.92583	10.7
100.92580	0.5
101.02423	0.5
114.93405	0.5
116.03548	0.2
116.92858	100.0
116.97239	4.2
117.01936	14.2
117.05550	0.5
117.92867	5.6
190.17580	0.2
235.08360	0.3
277.21762	1.2
289.00623	0.2
327.28644	0.2
335.17755	0.3
357.44553	0.2
397.13544	2.0
415.14685	0.4
675.36334	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49805	4.0
59.01372	10.4
61.98537	7.3
61.98834	100.0
69.63262	29.8
71.01366	12.2
88.98795	31.2
89.02430	6.5
96.95997	9.5
101.02349	4.2
147.15497	4.0
171.10275	6.4
207.10202	13.6
209.11809	11.5
211.13379	9.6
225.11345	16.5
253.09357	8.7
291.19687	10.1
291.71991	5.7
293.21213	7.0
309.20651	14.6
346.83786	4.6
435.18243	4.7
461.20175	8.7
549.31757	4.9
753.40662	12.2
754.40796	5.8
789.38257	39.2
790.37872	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	791.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	6.0
61.98830	22.7
69.81963	3.8
69.82375	9.3
71.01380	5.3
76.29916	2.0
78.95905	2.9
79.95708	3.3
87.88014	2.1
89.02420	2.4
96.96017	12.7
101.02432	4.5
163.11247	3.7
171.10246	10.7
179.05479	2.7
197.11746	9.2
199.13492	2.4
201.11238	6.3
207.10204	5.5
208.00800	2.4
209.11819	100.0
210.12166	4.0
211.13310	3.8
217.04488	2.3
225.11241	7.9
227.12878	28.1
235.08232	8.7
253.09317	24.2
254.77119	2.7
291.19650	16.8
293.21259	13.6
309.20737	57.8
309.24216	4.5
310.21008	8.1
354.73129	2.6
445.20575	8.9
461.20465	2.6
545.30334	4.7
737.41016	4.7
791.39709	63.5
792.39697	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	789.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	0.2
67.64837	0.1
69.16647	0.8
69.19458	0.1
78.95902	0.8
79.95737	3.5
91.06725	0.1
96.96011	100.0
97.95926	0.4
106.91654	0.1
171.10234	0.1
206.66869	0.1
209.11682	0.1
327.21848	0.1
453.09039	0.3
561.69519	0.1
644.50629	0.1
774.01160	0.1
789.42432	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	789.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.1
61.98835	0.2
69.72382	0.3
70.28410	0.1
71.01364	0.2
78.77274	0.1
78.95894	0.4
79.95735	3.9
82.95413	0.1
96.96008	100.0
97.02929	0.1
97.95944	0.4
145.69519	0.1
171.10289	0.2
225.11418	0.1
253.09325	0.1
293.21255	0.1
327.21533	0.1
453.09213	0.4
529.56580	0.1
729.30206	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	787.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	32.0
61.98830	76.2
67.59631	12.1
70.42731	12.5
71.01391	41.6
71.55709	22.6
96.96024	24.7
101.02424	14.0
109.06579	15.3
129.57704	15.9
171.10298	24.9
183.13925	100.0
197.11751	14.1
207.10265	51.6
209.11906	30.1
223.13338	73.2
224.35403	12.8
225.11342	44.9
241.87260	14.0
253.09253	37.0
269.77322	13.0
291.19672	22.4
309.20703	52.3
410.30020	14.3
459.22058	19.2
671.32751	46.8
677.87854	15.0
787.40570	70.4
788.41077	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	789.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.3
59.01381	36.9
65.21318	0.2
70.99410	0.6
70.99748	0.2
71.01382	8.6
72.99308	0.8
73.02939	0.4
73.50346	0.2
83.01421	0.3
84.52847	0.2
85.02943	1.7
87.00817	0.3
89.02444	9.2
95.01379	0.4
98.20650	0.3
101.02439	6.5
113.02442	3.2
119.03503	3.4
163.11293	3.5
171.13902	0.3
207.10255	8.0
208.10625	0.6
225.11465	0.3
248.04948	0.2
316.70792	0.3
377.71780	0.3
387.16580	100.0
388.16910	10.3
742.23975	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39582	8.0
59.01385	21.0
61.98825	26.3
69.03487	9.5
71.01393	29.1
89.02481	11.5
98.19923	36.9
101.02415	13.8
109.06637	24.1
115.23456	13.7
115.47033	9.3
133.90781	10.4
137.84247	10.2
141.71121	10.4
147.85561	12.3
157.68262	9.1
161.04520	12.5
165.12788	10.4
171.10280	22.5
183.13910	100.0
197.11824	16.8
207.10220	30.7
209.11794	26.2
223.13354	61.9
225.11356	28.2
253.09335	28.4
270.42984	10.5
291.19553	14.2
309.20670	43.2
420.90189	12.4
612.57739	11.6
671.32654	37.5
701.75250	15.8
787.40381	93.6
788.41150	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	785.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.2
61.98811	0.9
71.01393	0.5
71.55691	0.2
75.00872	0.3
79.95754	0.3
80.96536	0.3
83.05035	0.6
96.95998	1.5
97.06567	0.4
106.04269	0.3
124.04657	0.2
128.49896	0.2
141.01782	0.2
142.62433	0.2
177.12834	3.2
178.13222	0.2
195.13892	100.0
196.14226	6.2
203.10751	0.8
221.11809	0.6
239.12875	95.2
240.10980	0.4
240.13231	5.6
253.09264	0.3
295.77658	0.2
309.20697	0.4
471.15417	0.3
532.93549	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03449	1.4
59.01379	13.2
59.72010	0.5
63.07400	0.5
71.01381	28.3
71.54366	0.7
72.99323	0.8
73.02946	13.0
75.00858	0.6
83.01385	4.3
85.02949	12.9
87.00858	1.2
89.02439	5.0
93.49934	0.6
95.01392	2.3
96.03214	0.5
96.96011	1.4
97.02944	1.1
99.00883	7.5
101.02440	22.9
111.00828	0.6
112.01674	0.6
113.01653	0.5
113.02443	13.1
114.02762	0.5
125.02486	0.7
131.03540	0.6
134.03720	0.6
135.04550	0.9
142.40480	0.5
143.03513	1.4
159.02992	2.7
161.04562	15.4
162.04907	0.6
205.03540	0.6
223.06123	0.6
231.86740	0.5
269.10275	16.1
270.10699	1.0
275.26471	0.5
275.47641	0.5
383.13733	0.6
385.14020	0.8
401.14499	100.0
402.14893	8.7
456.61444	0.6
470.55115	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.9
59.15781	0.2
65.51398	0.2
71.01379	13.8
72.01711	0.2
78.95898	0.2
80.80278	0.2
85.03000	0.2
86.51212	0.2
87.00913	0.2
87.27908	0.2
89.03957	1.2
96.96003	1.8
98.95556	0.3
101.02445	0.3
115.00376	5.6
117.03465	4.3
121.02963	0.4
133.01373	0.2
133.02960	0.3
134.03738	51.8
135.04074	2.2
137.02417	1.1
139.04002	0.4
144.98013	0.2
149.06076	5.5
150.06401	0.3
173.06738	0.2
178.02701	5.1
179.03038	0.2
188.93919	0.2
190.52295	0.2
193.05046	100.0
194.05376	5.8
267.29071	0.2
307.13986	0.2
309.06146	4.9
310.06412	0.3
429.16861	0.3
429.21808	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.5175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65146	0.6
61.98841	0.7
64.80170	0.7
66.03477	1.2
67.35915	0.6
69.21740	5.8
71.02501	1.3
71.03851	0.6
80.05064	0.8
82.06617	2.7
82.48734	0.5
85.68233	0.6
87.05709	5.4
94.06602	1.0
96.95991	2.1
98.02459	1.0
98.95579	1.6
110.03607	0.8
112.07687	2.0
113.03557	1.1
114.09227	0.6
116.05092	1.0
118.06620	1.8
121.04068	1.3
129.10347	20.4
130.08737	2.3
139.08759	5.3
140.07172	5.1
140.10861	0.8
146.06081	2.4
148.39709	0.8
151.08830	0.7
153.10352	1.9
155.08289	4.6
155.11864	1.6
161.05182	0.6
164.09550	4.5
165.10332	5.5
167.08272	1.3
174.05597	0.9
180.11377	1.2
182.13000	3.0
183.11386	2.3
195.15004	2.0
197.16574	4.5
200.14044	5.6
207.15045	14.3
208.15350	1.4
209.84564	0.6
214.12383	1.5
216.14038	0.7
224.17667	7.1
225.16071	4.1
241.13501	2.8
242.11821	2.3
242.18756	12.9
243.19098	0.9
247.58221	0.7
259.14529	5.0
261.16028	0.7
265.14764	1.5
266.15033	1.3
267.14609	1.9
268.20218	1.4
269.21170	2.1
276.17151	1.3
277.21689	1.0
293.21213	1.4
295.21454	7.5
310.24945	0.7
312.17139	2.7
313.22623	3.4
330.18137	1.8
337.26105	9.7
347.20773	1.4
355.26935	3.0
371.24411	1.1
443.26175	0.7
518.69366	0.6
539.39380	3.4
539.46680	0.7
540.39825	1.0
556.35272	0.9
573.37640	4.2
615.42627	1.3
782.51880	100.0
783.52258	25.7
789.49579	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.5
55.22949	1.4
57.03454	2.9
59.01380	41.0
61.98830	6.8
62.61377	1.2
69.03455	1.8
69.21584	6.1
69.22015	6.8
71.01374	36.9
72.99297	3.3
73.02944	4.9
80.96513	2.7
81.03424	2.3
83.01398	3.7
85.02956	8.2
87.00864	7.1
88.98785	2.0
89.02438	29.5
95.01410	2.5
96.96021	9.1
97.02942	5.5
97.06599	1.7
98.20705	2.9
99.00866	2.5
101.02444	23.6
109.06586	3.8
111.00840	1.5
111.04461	1.3
113.02431	12.8
119.03494	6.9
119.57777	1.5
125.02416	7.4
125.09694	2.5
135.12823	1.3
143.03497	4.7
149.04593	1.7
161.04527	5.8
161.09709	1.7
163.11275	3.9
165.12854	2.8
179.05608	6.8
181.12454	1.5
197.11824	7.0
201.11453	1.4
207.10223	12.4
209.11821	5.9
211.13403	2.7
221.06601	1.7
221.11899	1.9
225.11240	6.8
227.12871	1.9
235.08199	9.9
239.12886	2.3
247.20580	1.6
253.09317	7.6
259.73877	1.4
273.18680	2.4
277.09247	1.6
287.07736	2.1
291.19687	20.0
292.19949	2.5
305.08780	4.7
323.22235	100.0
324.22635	10.6
397.13474	99.5
398.14038	6.6
415.08957	2.1
415.14551	43.7
416.14740	3.8
437.95844	1.5
458.81845	1.9
461.20236	3.0
528.03912	1.4
721.36932	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	781.35
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54131	0.2
59.01385	1.6
60.99310	17.2
61.98833	2.5
64.72490	0.2
71.01379	1.5
85.02927	0.3
87.00877	2.6
88.00415	3.4
88.01220	0.3
88.98813	100.0
89.02448	21.2
89.99130	1.0
90.02788	0.3
101.02443	0.6
108.39869	0.2
111.17680	0.2
113.02464	0.4
119.03533	0.2
125.02482	0.3
163.11270	0.2
179.05656	0.3
192.69232	0.2
199.09740	0.3
209.11775	0.5
223.13324	0.4
228.13570	0.3
235.08176	0.4
287.07800	0.2
291.19666	0.3
293.21255	4.3
294.21664	0.7
323.22238	1.9
397.13495	3.2
415.14688	2.0
416.14877	0.4
781.36707	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.3
71.01376	0.6
73.02939	0.3
73.59091	0.1
85.02949	0.6
89.02446	0.4
96.96032	0.3
100.19508	0.1
101.02452	0.4
107.05035	0.2
113.02448	0.2
115.63055	0.1
125.17095	0.1
134.03725	0.9
135.04521	100.0
136.04852	4.0
144.78938	0.2
151.04012	0.4
161.04524	0.3
179.03484	1.7
179.15105	0.2
267.88141	0.1
297.09775	36.9
298.10104	2.7
333.07428	1.5
333.15302	0.3
341.08734	8.8
342.08951	0.8
377.06519	0.3
401.14221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
58.00588	0.7
58.19891	0.4
59.01378	82.8
60.01698	0.7
61.98843	0.4
63.02422	0.4
65.00318	0.6
69.03451	0.5
71.01381	19.1
71.10007	0.8
72.01703	0.4
72.99310	0.9
73.02945	22.5
83.01382	7.3
83.01828	0.7
85.02956	2.9
87.00893	0.9
89.02438	7.4
95.01405	1.3
96.96019	1.3
97.02914	0.6
101.02440	24.3
107.01388	0.9
113.02448	8.4
117.03489	1.4
119.03502	3.6
125.02416	1.1
131.03513	2.7
135.04517	4.8
138.81882	0.4
143.03467	3.3
148.19801	0.4
149.02461	0.8
149.04558	5.4
151.00368	2.0
155.03499	1.1
161.04541	9.6
179.05676	0.6
183.04405	0.7
196.05339	0.5
203.05617	1.6
211.03967	0.6
212.04736	0.7
221.06607	3.7
225.05408	0.7
239.03482	1.6
240.04254	2.9
261.13474	0.6
267.03046	0.6
268.03751	80.8
269.04480	31.0
270.04868	1.6
303.14426	1.5
311.05557	1.1
401.15628	0.4
426.79135	0.6
431.09793	100.0
432.10114	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	777.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98534	0.2
78.46837	0.1
92.76831	0.1
111.82626	0.1
181.55310	0.1
391.89648	0.1
712.75934	0.1
780.06537	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	777.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
59.01369	0.5
69.03465	0.3
71.01397	0.3
71.05016	0.8
71.54819	0.3
71.55476	0.2
73.02956	0.4
83.05022	1.1
84.02156	0.7
85.02962	1.0
85.06609	1.1
95.05045	0.2
96.96009	1.1
97.06564	0.4
111.08147	0.6
113.09764	0.2
115.07648	2.3
116.07984	0.2
123.08171	0.9
125.09695	0.9
134.03749	0.3
137.09692	0.8
141.09261	1.0
141.12849	0.4
151.11334	1.0
153.12877	0.6
163.11266	0.5
165.05679	0.2
181.12341	6.2
182.12593	0.2
193.05023	0.3
199.13429	0.5
227.12845	2.3
245.13933	2.6
246.14259	0.3
254.90123	0.2
291.58719	0.2
343.21188	0.5
354.96982	0.2
359.20544	0.2
361.22299	100.0
362.22638	9.1
443.15533	0.3
556.47784	0.2
734.32910	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93573	1.4
57.03467	1.5
58.71600	1.3
61.98816	5.0
64.06208	1.3
70.60555	3.8
72.85780	1.3
78.95903	49.5
92.14059	1.3
93.18076	1.3
96.96925	2.7
122.97545	1.9
129.09221	2.2
139.11269	1.7
152.98373	2.8
152.99588	56.2
153.99904	1.3
156.93993	1.2
169.12325	1.6
171.00618	5.3
171.10268	5.0
181.12331	3.5
189.18272	1.5
193.12332	3.6
197.11893	8.4
199.13362	3.4
211.13382	14.0
227.03244	5.9
245.04301	1.6
253.21700	27.0
254.22046	1.6
255.23178	5.5
288.83731	1.2
293.21259	15.5
301.59674	1.5
308.29376	1.5
311.22284	33.7
312.22528	3.0
372.14096	1.4
447.21518	4.2
521.25122	4.9
539.26233	100.0
540.26630	14.9
700.25824	1.5
775.47601	83.4
776.48053	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	775.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21030	2.0
59.01371	2.6
61.98812	8.8
62.92847	1.7
65.23164	1.8
69.79539	6.7
69.79950	4.0
78.95910	12.8
83.05044	2.9
96.96004	8.3
98.95555	3.4
103.88706	2.1
146.27562	2.2
152.99594	5.5
163.11336	3.4
167.45412	2.0
171.10254	2.6
174.19530	2.0
187.45750	1.9
209.11815	100.0
210.12083	4.0
211.13280	4.0
227.12849	23.1
235.08167	9.0
253.09265	13.6
293.21231	56.0
294.21512	3.3
445.20682	13.4
447.20700	2.3
463.21408	2.5
656.09326	2.1
661.67139	2.4
775.40704	56.1
776.41144	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	775.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.2
69.50150	0.5
78.95892	0.4
79.95736	3.2
81.64747	0.1
94.98069	0.1
96.96008	100.0
97.95969	0.3
177.03497	0.1
775.46875	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00610	3.7
59.01384	51.5
61.98834	47.3
62.15961	3.4
69.03430	3.3
71.01382	100.0
73.02946	10.6
76.28455	3.4
81.03439	4.2
82.95402	9.0
83.05030	6.5
85.02942	12.7
87.00876	11.0
89.02447	39.4
95.23878	3.7
96.96047	17.7
97.02943	15.8
98.19904	7.0
99.00857	6.4
101.02443	35.5
109.06578	19.9
113.02438	16.2
119.03470	16.6
125.02523	8.3
125.06160	3.7
125.09724	4.9
125.89300	3.5
143.03493	7.4
155.10764	4.4
161.04494	10.4
163.11244	13.8
171.10258	44.2
179.05624	10.8
181.08768	5.1
181.12341	5.1
186.61093	3.5
197.11812	6.8
199.09741	71.6
199.13394	3.7
201.11285	11.3
207.10265	68.5
209.11850	70.3
210.12083	5.8
211.13406	4.2
215.12918	4.4
223.13376	8.0
225.11299	59.9
226.11760	4.5
227.12888	23.4
235.08215	14.7
243.12164	4.9
244.11368	3.6
253.09294	10.0
263.07611	4.8
379.11932	3.9
394.62363	3.7
397.13507	97.8
398.13684	6.7
415.14548	71.0
416.14816	6.6
453.89023	5.1
502.75082	3.8
597.23969	91.2
598.24091	10.9
605.22723	21.5
623.25598	64.7
624.26440	19.1
775.31073	42.5
776.32025	7.3
794.74097	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	775.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	42.6
61.98835	33.7
69.24349	27.0
70.60204	3.4
71.01382	100.0
72.99309	4.3
73.02945	8.5
75.00842	3.2
78.95895	4.9
81.03453	4.4
82.95427	5.8
83.04996	8.7
85.02949	10.7
87.00873	9.4
89.02431	36.3
89.75082	3.0
92.65611	3.2
96.96008	10.9
97.02949	9.4
97.06574	5.4
99.00870	3.7
101.02454	37.6
109.06580	19.5
113.02460	13.7
113.06113	4.3
119.03481	11.7
125.02432	9.4
125.09676	3.2
131.03551	3.8
141.01909	4.0
143.03503	8.9
161.04559	7.8
163.11278	12.5
171.10257	55.6
179.05569	18.3
179.14040	3.2
181.12361	5.9
199.09769	38.3
201.11327	18.1
207.10251	66.1
208.10605	4.7
209.11823	66.5
210.12158	6.5
215.12701	4.1
223.13409	12.1
225.11316	67.0
226.11618	3.7
227.12888	24.7
235.08264	11.5
243.12347	7.3
253.09175	10.8
258.36176	3.1
279.16034	6.3
287.07700	4.6
305.08749	3.3
370.53571	3.7
379.12595	4.4
397.13437	97.0
398.13959	9.7
415.14600	57.2
416.14728	5.7
569.25287	4.0
597.23993	56.8
598.24396	7.0
605.22534	24.6
623.25519	57.0
624.25934	23.7
625.27075	3.8
641.26367	4.6
660.68811	3.4
775.31311	60.9
775.44348	4.8
776.32062	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	773.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	22.9
60.47520	8.7
61.98828	62.4
69.95462	9.9
71.01382	25.1
77.31287	8.3
78.95897	43.8
96.95998	100.0
145.83644	9.2
152.99611	17.9
169.12306	29.1
171.10240	14.1
193.28218	9.8
197.11801	13.5
207.10248	25.2
209.11821	10.4
225.11317	41.5
229.24060	10.0
235.04610	9.7
293.21133	34.4
461.19757	28.6
488.42865	10.8
609.05389	10.6
737.41077	39.0
773.39093	91.7
774.39886	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
56.99807	0.9
57.03446	1.1
58.00599	2.4
59.01380	73.8
61.98831	7.0
71.01382	39.9
71.26928	2.1
72.99300	4.1
73.68897	1.0
75.23402	0.9
78.95901	9.9
80.96495	1.4
83.01369	2.2
84.02212	0.9
85.02950	7.0
87.00868	2.8
89.02449	44.7
92.92788	1.6
94.85814	0.9
95.01376	2.2
97.02946	0.9
101.02445	28.4
113.02458	14.0
116.97264	7.0
118.96983	8.5
119.03512	20.2
119.94695	1.0
122.97533	1.2
131.03523	2.4
141.01686	6.8
143.03497	2.2
149.04552	2.2
152.99597	16.5
161.04556	4.7
179.05606	13.7
197.11789	2.9
200.94562	6.7
200.96133	1.3
201.02565	5.0
211.13315	3.8
225.22189	10.6
253.21724	6.9
255.23293	5.1
271.22760	2.7
280.26385	3.6
280.97964	1.8
282.94739	2.9
282.97610	3.3
291.19815	1.1
293.21146	4.4
296.25867	1.6
310.20895	1.1
311.22113	5.4
364.98309	1.5
534.48804	19.3
535.49091	2.7
537.24554	2.8
538.24908	3.3
539.26208	16.1
552.49939	8.6
553.50189	1.9
621.16589	1.0
714.55231	100.0
715.55566	29.8
774.47015	3.5
775.47638	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	773.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92106	0.0
59.01352	0.1
61.98827	0.4
70.78146	0.1
71.01384	0.1
78.95895	0.6
79.95734	3.8
96.96008	100.0
97.42498	0.1
97.95937	0.3
116.38277	0.1
209.11812	0.2
215.12794	0.1
253.09212	0.1
407.17535	0.1
435.08304	0.1
438.14838	0.1
453.08890	0.1
713.31207	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.1
61.98832	0.5
71.01368	0.4
71.55440	0.1
78.95898	0.6
79.95737	3.7
80.89651	0.1
80.96532	0.1
94.92499	0.1
94.98105	0.1
96.96011	100.0
97.95946	0.3
101.02424	0.1
128.98590	0.1
171.10251	0.4
176.98393	0.1
201.11211	0.1
207.10292	0.1
209.11815	0.2
209.74223	0.1
225.11316	0.1
253.09346	0.1
293.21185	0.2
407.17731	0.1
435.08289	0.1
453.09164	0.3
713.31055	0.3
773.44226	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33254	0.5
59.01376	2.8
61.98824	2.0
71.01383	13.5
74.07278	0.5
76.92235	0.6
77.03970	2.3
79.95760	1.0
80.96509	0.6
82.81561	0.6
85.02942	1.2
86.32091	0.7
89.03983	1.2
89.59682	0.6
93.03467	1.4
94.97993	0.5
95.05024	4.0
96.96018	7.1
97.02954	4.0
98.20750	1.1
101.02441	1.3
105.03455	13.0
105.04103	1.2
106.04265	1.3
109.02944	1.5
113.02470	0.8
115.00376	11.4
121.02968	3.3
123.00845	0.7
123.04510	1.5
133.02956	100.0
134.03780	20.6
135.04587	4.4
137.02446	13.9
139.03992	4.7
139.11307	1.3
149.02406	1.7
150.03217	0.8
155.10773	2.7
159.04552	0.7
177.01929	60.5
178.02699	36.0
179.03473	8.6
181.12402	0.6
183.10252	1.5
183.13914	0.8
192.17899	0.6
194.54538	0.6
199.09729	2.1
199.13422	0.9
211.13383	11.5
215.09268	0.6
243.12375	6.5
253.09328	1.5
275.09250	2.4
301.14325	0.7
309.14969	2.4
327.16003	5.0
345.17078	1.2
447.22379	7.8
563.25195	2.2
581.26093	15.7
582.26532	3.0
625.24951	76.6
626.25269	15.4
773.29572	2.2
774.30664	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07774	0.2
59.01351	0.3
61.98830	5.7
69.89695	0.9
70.85863	0.2
79.95717	0.4
96.96008	0.7
111.08167	1.0
121.48357	0.2
155.60364	0.2
165.12839	19.3
166.13159	1.4
183.13889	84.3
184.14243	4.8
209.11873	1.3
216.53014	0.2
227.12872	100.0
228.13203	6.1
253.09325	0.2
261.21329	0.2
289.18069	1.7
292.86383	0.2
471.14618	0.3
504.04056	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
57.03452	0.7
58.00599	0.5
59.01378	13.9
60.01732	0.3
69.03450	0.3
71.01379	9.5
72.99295	0.7
73.02946	1.1
75.00874	0.1
83.01371	0.9
84.02168	0.4
85.02444	0.2
85.02943	2.4
87.00884	0.9
89.02441	7.1
90.21381	0.1
92.62411	0.1
95.01389	0.8
96.96011	0.8
97.02936	0.2
99.00884	0.4
101.02436	6.9
111.08158	9.6
112.08475	0.3
113.02442	3.5
119.03491	2.9
122.06112	0.3
123.03260	0.2
124.04025	0.2
131.03537	0.3
136.07652	1.1
138.05600	1.5
139.07645	3.2
140.08002	0.2
141.09236	0.3
143.03508	0.3
153.09196	0.9
155.07198	0.1
157.08693	36.5
158.09038	1.6
161.04559	0.2
179.05624	0.2
181.08723	0.2
184.06154	0.3
199.09720	1.2
257.12860	0.4
293.10245	0.3
297.40192	0.1
319.13950	100.0
320.14288	7.8
361.22055	0.3
384.65878	0.2
449.71912	0.2
487.57861	0.2
538.05829	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
57.03450	0.9
59.01379	100.0
59.22909	0.2
60.01714	0.9
69.03456	0.3
69.30544	2.1
71.01384	10.0
72.01732	0.3
72.99310	0.4
73.02950	3.7
83.01385	1.8
85.02950	5.1
87.00890	0.6
89.02449	3.6
95.01413	0.8
96.96008	2.6
97.02942	0.5
99.00880	2.4
101.02442	8.5
113.02451	4.3
119.03468	0.4
131.03551	0.3
134.03770	0.3
143.03476	0.4
145.08737	0.3
149.04546	2.5
159.03023	0.9
161.04547	4.4
171.28954	0.2
173.08194	0.5
179.40947	0.2
191.05626	0.6
193.05139	0.3
255.60808	0.2
269.10297	10.5
270.10754	0.8
307.14102	1.0
311.11340	7.7
312.11801	0.6
415.16193	2.6
416.16742	0.4
451.16290	0.2
573.51538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
55.72414	0.7
56.67746	0.7
57.03431	1.2
58.00592	4.2
59.01379	100.0
60.01711	1.0
69.03474	1.1
71.01380	66.8
71.54942	0.9
72.99313	4.1
73.02959	2.2
83.01412	2.8
85.02949	13.1
85.03451	0.7
87.00880	4.8
89.02444	81.6
95.01400	5.4
96.96021	3.2
99.00926	0.8
101.02441	30.6
111.00897	1.3
113.02445	27.1
119.03497	28.8
120.03888	0.8
125.02544	0.7
131.03523	4.8
134.03792	2.6
135.04523	58.1
136.04880	2.6
138.01971	2.4
143.03505	8.9
149.02460	2.0
149.04564	4.2
153.09218	1.4
161.04555	14.4
164.04771	1.8
179.05605	69.4
180.05991	2.4
205.12383	0.9
215.13208	0.8
223.06094	3.5
223.13408	1.1
258.81647	0.8
259.11707	0.7
285.04291	1.1
297.09778	22.6
297.13007	1.4
298.10187	1.8
333.07574	1.2
341.08856	2.9
385.11578	2.8
385.18784	2.9
412.40033	1.0
431.55347	0.7
436.75092	0.8
564.44598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	21.7
71.01381	40.2
91.21661	10.6
98.19769	23.4
111.09560	11.2
112.48125	11.3
148.25281	11.0
158.07344	12.8
171.10214	12.8
178.10205	11.8
181.12439	11.2
203.76636	11.0
207.10304	21.4
223.13431	74.5
225.11320	16.0
253.09225	22.0
293.21149	67.2
372.14081	13.8
459.22247	14.8
475.26117	11.0
771.41125	100.0
772.41833	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	770.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
61.98830	100.0
62.98536	0.2
62.98842	0.1
69.28336	1.1
71.01388	0.2
73.26275	0.1
75.08296	0.1
85.02946	0.1
89.02458	0.2
91.58307	0.1
96.96032	0.2
101.02480	0.2
113.02486	0.1
154.52910	0.1
163.63577	0.1
167.92104	0.1
209.12012	0.2
225.11430	0.1
227.12927	0.1
277.02216	0.1
292.20178	0.2
300.97672	0.1
309.20782	0.4
310.21088	0.6
311.21658	0.3
312.21951	0.2
399.14001	0.2
416.15009	0.2
471.14331	0.1
589.77399	0.1
710.36279	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.8
59.01380	11.7
61.98827	3.6
69.03461	3.2
70.73779	0.9
71.01373	9.1
71.05029	1.8
71.56087	1.5
72.99313	1.1
73.02953	2.2
78.05085	0.9
81.03442	1.0
83.01393	1.9
83.05028	4.9
85.02942	7.0
87.00875	1.3
89.02444	6.5
93.03487	1.1
95.05035	3.1
96.96011	4.1
97.02950	2.7
97.06588	17.1
99.00880	0.9
101.02440	8.6
101.63778	0.8
109.06593	1.9
110.03786	1.0
111.08157	18.1
113.02457	3.8
119.03520	1.6
123.08143	1.3
123.68831	0.8
125.09723	1.8
127.11260	1.3
131.03522	0.9
137.09746	3.3
147.11819	1.3
156.54733	1.0
161.04561	3.3
163.11288	5.2
165.12839	83.8
166.13254	5.4
166.64713	0.8
167.10776	3.3
171.10254	26.4
172.10635	1.0
177.12819	2.5
179.05632	1.9
179.10773	2.8
179.14404	2.1
183.13878	2.6
185.11823	1.6
195.13898	8.5
197.11833	9.9
197.15465	40.6
198.15862	1.5
199.13458	1.6
201.11320	3.4
205.12354	6.6
207.10320	1.4
209.11801	10.1
210.12213	1.0
211.13371	13.1
221.11790	2.1
223.13383	57.7
224.13663	4.0
225.11395	4.0
227.12874	1.8
229.14398	6.9
235.08231	7.7
239.12668	1.2
240.81873	1.0
241.10741	1.5
241.14444	37.7
242.14795	2.4
247.20616	1.8
253.09277	39.0
254.09676	2.0
273.18567	1.9
289.17902	1.5
291.19650	100.0
292.19983	10.8
293.21310	1.0
307.19119	1.7
309.20764	14.8
310.21115	1.2
327.21753	70.9
328.22064	5.6
459.22467	8.0
527.28595	19.5
528.29016	3.1
533.34741	3.9
545.29816	3.4
563.30908	7.7
570.14758	0.9
763.47797	1.0
769.40210	11.6
770.41290	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	769.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76207	0.6
55.01882	1.4
57.03466	1.0
58.00589	1.2
59.01376	19.5
61.98830	100.0
62.98529	1.1
63.99271	0.7
65.83619	0.6
69.03467	1.7
71.01380	16.1
71.54977	0.5
72.99309	0.8
73.02962	2.7
73.11674	0.6
79.95760	0.9
80.96539	2.1
83.01395	1.7
83.05044	0.8
83.44167	0.6
85.02962	3.1
87.00867	3.2
89.02443	12.0
94.98125	1.1
95.01389	0.7
96.95989	4.7
97.02928	4.2
97.06596	1.2
101.02435	11.6
109.06556	0.7
111.08165	0.7
113.02448	4.3
113.09750	1.5
115.00372	0.6
119.03506	2.7
121.02936	0.8
121.10236	1.3
123.08212	0.8
125.02422	3.9
125.09740	1.1
127.11321	0.7
139.04070	0.6
139.11311	3.2
140.73448	0.7
141.01770	1.3
143.03488	2.2
155.10736	1.3
157.78598	0.6
161.04587	1.9
163.11220	0.9
165.12823	1.5
167.10822	0.8
171.10269	14.1
179.05635	2.8
181.12312	0.9
185.11838	1.2
193.12360	5.2
197.11713	0.7
199.09726	1.7
207.10228	0.7
209.11826	2.2
211.13399	5.8
217.00250	1.4
221.06659	0.9
225.00806	0.8
225.11354	2.0
227.12990	1.2
235.08226	4.1
249.22232	1.4
253.09322	1.8
287.07794	0.7
289.18109	1.9
291.19473	0.7
293.21255	17.3
294.21469	2.1
305.08676	1.6
311.22256	96.5
312.22595	9.0
323.09796	0.8
397.13477	47.6
398.13782	3.5
415.14551	32.7
416.14792	3.5
471.15369	1.1
625.11847	0.7
709.36621	11.6
710.36481	2.7
725.83807	0.8
769.31085	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.2
57.03437	3.8
58.00578	2.8
59.01377	82.5
61.57182	1.1
61.98809	2.9
62.31016	1.0
66.90716	1.1
69.03445	3.5
69.34668	8.6
71.01380	57.3
72.01703	1.2
72.99304	5.1
73.02940	10.1
81.03436	1.5
83.01389	8.9
85.02945	23.7
87.00851	4.9
88.11934	1.1
88.98795	1.3
89.02441	31.8
95.01377	3.6
96.96017	4.2
97.02944	2.6
97.06597	1.1
99.00902	4.7
101.02443	35.6
107.75278	1.1
111.00877	2.4
112.01620	1.6
113.02443	26.8
119.03518	9.8
125.02444	4.6
127.55731	1.0
129.01886	1.7
131.03421	1.9
143.03488	2.7
143.10744	1.5
149.12296	0.9
153.85020	0.9
159.03006	1.6
161.04599	4.7
179.05582	2.9
245.07785	0.9
249.09714	1.1
271.22708	4.3
298.37744	1.0
323.25815	1.7
359.28073	1.8
397.51938	1.0
415.27069	2.1
433.27704	5.7
485.31036	2.6
503.32321	8.9
504.32849	1.2
521.33441	7.0
522.33325	1.2
545.32953	1.3
546.34711	1.1
554.23346	1.1
665.37500	100.0
666.37762	17.8
683.38550	66.4
684.39014	12.6
725.39594	56.8
726.39819	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	768.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23790	0.1
57.96387	0.1
59.01386	1.2
60.06421	0.1
60.66655	0.1
61.98830	100.0
62.98532	0.2
69.39031	1.1
71.01366	0.9
71.94918	0.1
73.02934	0.2
73.39266	0.1
80.96529	0.2
84.03928	0.2
85.02946	0.3
87.00907	0.2
89.02460	0.4
96.96039	0.8
97.02981	0.2
98.19933	0.3
101.02462	0.8
102.02775	0.1
109.06579	0.3
113.02443	0.3
119.03531	0.2
119.05013	0.3
125.02431	0.3
141.29449	0.1
171.10181	0.2
211.13475	0.2
289.18185	0.5
290.18512	0.7
291.19055	0.7
292.19687	0.3
309.20688	1.2
310.21054	1.0
378.32483	0.2
397.13553	0.6
398.14017	0.4
399.14267	0.3
415.14606	0.7
416.14899	0.5
417.15063	0.2
437.20425	0.2
513.67084	0.2
535.19885	0.2
536.20410	0.5
708.36365	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
61.54163	0.1
61.98828	100.0
62.98531	0.2
69.20870	0.1
69.81559	0.5
71.01385	0.7
71.34595	0.1
72.01749	0.1
72.99271	0.1
85.02989	0.1
87.00892	0.2
89.02452	0.4
96.95438	0.1
96.96029	0.6
101.02462	0.4
102.02747	0.1
113.02441	0.2
119.03509	0.1
123.37447	0.1
125.02476	0.2
133.01468	0.2
141.01755	0.1
171.10255	0.3
174.27647	0.1
178.95636	0.1
209.11888	0.4
210.12062	0.1
215.13316	0.1
225.11360	0.2
246.19527	0.2
289.18039	0.7
290.18420	0.7
291.18817	0.5
307.19049	0.6
308.19382	0.9
309.19843	0.6
310.20071	0.1
397.13727	0.2
398.13937	0.3
399.14172	0.5
400.14703	0.2
403.12766	0.1
415.14868	0.2
416.15063	0.3
417.14990	0.5
418.15643	0.2
700.74731	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.2
59.01377	2.5
61.98829	100.0
71.01383	1.8
71.55869	0.2
72.99333	0.2
73.02950	0.3
73.44366	0.1
79.34627	0.1
85.02954	0.3
87.00901	0.3
89.02447	1.1
96.96005	0.8
97.02967	0.3
101.02451	1.3
104.93727	0.2
113.02459	0.5
119.03552	0.3
125.02474	0.3
125.09762	0.2
131.03535	0.2
161.04607	0.2
171.10248	0.9
174.99239	0.2
179.05702	0.2
193.12331	0.2
209.11913	0.4
210.12251	0.2
211.13493	0.3
217.00229	0.8
225.11359	0.3
235.08234	0.3
246.19406	0.2
253.09344	0.2
289.18069	0.5
290.18433	0.4
291.18661	0.2
293.21136	1.2
307.19244	0.5
308.19571	0.8
309.20053	0.4
310.20224	0.2
311.22263	6.2
311.25763	0.3
397.13477	3.2
398.13885	0.4
399.14063	0.2
400.14670	0.2
415.14502	1.9
416.15131	0.3
417.15182	0.3
609.26654	0.2
610.26514	0.2
637.51410	0.1
709.36444	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.5833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53882	0.4
58.53445	0.4
59.01385	0.4
61.98828	2.0
71.25436	0.7
74.25394	0.5
86.76423	0.4
88.05544	0.4
91.99676	0.6
96.96036	0.7
123.96531	0.4
134.78201	0.4
138.50186	0.4
171.10280	8.5
195.13884	1.0
237.05202	0.4
265.14767	0.9
277.21732	11.3
278.22058	1.1
295.22794	54.2
296.23123	5.6
423.32797	0.6
469.73022	0.5
471.34796	100.0
472.35165	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	768.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54651	0.2
59.01374	2.1
61.98829	100.0
62.98553	0.3
71.01381	2.0
72.14194	0.2
72.76269	0.2
73.02950	0.4
79.95744	0.2
80.96518	0.5
85.02974	0.4
87.00876	0.5
87.80118	0.2
88.98746	0.2
89.02444	1.2
89.06607	0.2
96.96021	1.2
97.02962	0.5
97.06568	0.2
101.02451	1.3
112.98599	0.2
113.02462	0.6
119.03482	0.2
125.02395	0.4
133.01495	0.2
139.11264	0.3
143.03444	0.2
161.04562	0.3
163.11249	0.3
171.10211	1.0
193.12303	0.3
199.09892	0.2
209.11818	0.4
211.13391	0.5
217.00330	0.5
221.08206	0.4
235.08237	0.4
289.18130	0.5
290.18469	0.7
291.18994	0.4
293.21121	1.0
298.10754	0.4
307.19247	0.7
308.19592	0.6
309.20029	0.6
311.22272	6.1
311.25812	0.4
367.60300	0.2
384.04074	0.2
397.13455	3.0
398.14240	0.3
399.14108	0.5
415.14627	2.4
417.15244	0.3
424.78333	0.3
471.15326	0.3
709.36328	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
59.01376	5.1
61.98819	0.5
63.38343	0.2
69.03454	2.7
69.27905	2.1
71.01382	2.2
71.05008	0.9
72.99285	0.2
81.03455	0.5
83.01379	0.3
83.05025	0.7
85.02932	0.6
85.06591	0.7
87.40137	0.3
89.02448	1.6
93.03414	0.4
95.05027	1.0
96.87664	0.3
96.96019	0.5
97.02954	0.6
97.06579	0.8
101.02434	2.2
107.05072	0.3
108.05816	0.3
109.06572	1.0
111.08204	0.5
113.02429	1.2
119.03566	0.3
121.06616	0.4
123.04478	0.5
123.08142	0.7
125.09736	1.4
135.11833	0.4
137.09726	0.7
149.09682	0.7
161.04517	0.8
161.09644	0.3
161.13304	0.4
163.07602	0.3
163.11263	1.8
167.10777	4.0
177.12833	1.2
179.05557	0.4
179.09431	0.3
179.10768	1.8
179.14378	4.0
185.11780	1.6
191.14395	2.3
195.13884	11.3
196.14153	0.6
205.12325	10.9
206.12695	0.5
207.10188	0.9
209.11807	3.3
223.13377	100.0
224.13718	5.4
225.11331	0.6
235.08232	0.5
237.11327	1.1
245.19086	4.0
246.19293	0.3
253.09282	12.0
254.09567	0.5
255.64558	0.3
263.20114	1.3
271.17142	0.5
281.21310	0.3
289.18069	28.1
290.18439	2.2
291.19675	0.8
307.19128	26.2
308.19446	2.0
309.20648	0.3
424.89651	0.3
445.20691	0.5
543.28192	1.0
762.88910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45667	0.2
57.03451	1.2
59.01381	3.9
61.98839	1.1
69.03460	3.0
71.01389	2.8
71.05019	0.9
71.54848	0.2
72.99310	0.2
73.02944	0.3
75.00865	0.2
80.02679	0.2
81.03456	0.4
83.01391	0.6
83.05035	0.9
85.02928	0.6
85.06597	0.5
87.00869	0.4
88.98811	0.2
89.02431	1.4
93.03466	0.5
95.01360	0.3
95.05029	0.8
96.96003	0.8
97.02928	0.4
97.06578	1.2
100.78699	0.2
101.02459	1.9
102.35265	0.2
106.63721	0.2
109.02952	0.2
109.06583	0.8
111.08145	0.6
112.42603	0.2
113.02448	0.8
117.79742	0.2
119.03471	0.6
120.71157	0.2
123.04567	0.2
123.08166	0.3
124.14639	0.2
125.02469	0.3
125.09738	0.9
127.11305	0.2
132.62379	0.2
133.01451	0.3
135.11772	0.4
141.09229	0.2
149.09676	0.8
151.11330	1.1
153.09232	0.3
155.10786	0.2
161.04549	0.7
161.09695	0.2
161.13431	0.4
163.11305	0.6
165.12823	1.7
167.10757	4.1
169.12363	0.4
177.12889	0.9
179.05656	0.3
179.10797	1.6
179.14401	3.8
181.12321	1.1
183.13857	0.2
187.11308	0.4
191.10786	0.8
191.14523	0.4
195.13895	11.0
196.14204	0.7
197.11729	0.2
204.26405	0.2
205.12321	10.3
206.12708	0.6
207.10162	0.3
209.11832	5.0
210.12167	0.5
211.13377	0.6
223.13390	100.0
224.13724	5.8
224.58315	0.2
227.12909	1.4
235.08218	0.5
245.16776	0.3
245.19041	1.6
253.09279	5.6
254.09732	0.3
256.71402	0.3
263.20132	3.0
279.19565	0.3
289.18069	6.3
290.18411	0.7
291.19592	1.1
307.19141	16.6
308.19467	1.1
309.20709	1.8
397.13544	1.1
415.14465	0.5
431.19052	0.3
445.20789	3.5
446.20871	0.3
460.19592	0.6
493.64932	0.2
525.27106	0.3
541.12793	0.2
543.28021	4.5
544.28607	0.6
549.80383	0.2
607.26019	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07608	1.0
57.03447	1.5
58.00575	1.4
59.01109	1.4
59.01380	21.4
61.98817	2.4
69.03465	1.4
71.01381	14.7
71.54479	1.0
71.54820	1.1
73.02943	2.1
83.01384	1.8
85.02940	3.1
86.07570	0.8
87.00869	2.5
89.01933	1.3
89.02444	14.5
89.26275	0.8
95.01368	1.2
97.02952	5.5
99.00870	1.1
101.02425	11.5
109.58855	1.0
111.08131	6.1
113.02446	5.1
119.03517	2.9
125.02422	4.1
125.09682	1.5
127.07734	0.9
133.89117	0.9
136.99854	0.9
137.09631	1.1
143.03435	1.8
151.11288	0.9
153.12769	1.1
161.04533	2.0
165.12813	2.5
169.12331	2.9
171.10254	1.7
179.05565	2.8
181.12199	0.8
193.12292	1.4
197.11823	31.1
198.12173	1.7
199.13371	1.2
211.13309	6.3
221.06609	1.1
223.13306	1.0
227.12787	1.5
235.08238	4.4
247.20724	2.6
263.20071	1.5
270.17810	0.9
273.18533	1.0
291.19669	19.3
291.22937	1.2
292.19788	1.1
305.08725	1.3
309.20697	100.0
310.21027	11.2
327.07547	0.9
392.45108	1.0
397.13428	33.6
398.13718	2.4
415.14517	38.4
416.14871	2.0
423.75192	0.9
434.05109	1.0
566.05084	0.9
628.01947	0.8
707.34711	7.3
708.34650	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.4
58.00591	1.6
59.01381	40.1
61.98829	36.0
69.03455	1.9
71.01379	26.5
71.55932	2.0
73.02964	4.9
78.95924	1.5
79.95747	1.7
83.01394	2.5
83.73460	1.2
85.02966	5.6
87.00872	4.4
89.02444	19.0
95.01420	3.0
96.96020	18.6
97.02953	8.3
97.06615	2.2
99.00912	1.7
101.02447	17.8
109.03016	1.5
111.08125	6.1
113.02474	9.0
115.00382	4.2
119.03510	5.2
119.05006	8.2
125.02441	5.0
125.09734	3.0
133.01434	4.8
137.09698	1.8
141.01865	1.8
143.03513	2.9
155.10820	7.5
161.04601	4.1
163.04007	3.3
169.12305	2.1
171.10265	5.9
179.05641	4.0
183.13922	2.1
185.11787	2.3
187.07697	1.9
195.13991	1.9
197.11842	22.2
199.09720	2.8
199.13406	2.1
199.96915	1.2
209.11800	1.9
211.13387	23.9
221.06619	1.2
222.17137	1.3
235.08208	3.3
251.16653	1.6
291.19684	35.4
292.19937	2.5
305.08600	2.0
309.20709	100.0
310.21042	11.7
397.13519	51.0
398.13803	3.4
415.14594	45.0
416.15051	3.4
501.32248	3.2
502.32574	5.8
503.33032	8.3
535.19684	17.0
536.19879	3.5
559.31592	1.4
569.30127	8.6
570.29218	1.6
577.31982	2.4
609.27905	3.4
689.33313	6.2
707.34753	7.6
708.35272	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	767.37
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
59.01106	1.9
59.01379	26.7
61.98801	1.6
64.01829	0.9
69.03460	2.9
70.98667	1.7
71.01379	21.8
73.02930	2.5
80.16723	0.9
81.03461	1.9
83.01383	1.8
83.05027	1.2
83.66101	1.1
85.02949	2.7
87.00880	2.8
89.02447	16.4
97.02946	9.1
101.02438	15.8
103.00375	1.2
113.02445	6.8
119.03501	4.4
123.04539	1.4
125.02428	5.2
125.09691	1.8
137.09683	3.2
143.03525	1.5
151.89349	1.1
161.04504	3.2
163.11270	2.7
165.09209	1.1
165.12859	5.7
171.10255	5.0
179.05592	3.9
181.12328	1.4
185.04663	1.0
185.56146	1.0
193.12390	1.4
193.16060	1.0
197.11787	3.5
209.11903	2.5
211.13344	2.1
221.06667	2.2
227.12875	2.5
235.08276	5.7
247.20654	4.3
273.18460	2.2
287.07858	1.3
291.19644	32.5
292.20026	3.9
295.34631	1.1
305.08698	1.3
309.20706	100.0
310.20996	9.3
388.95139	1.2
397.13461	50.3
398.13794	4.6
411.52441	1.1
415.14566	41.9
416.14722	4.6
539.72620	1.2
707.35052	11.1
708.34937	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	767.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.0
59.01109	0.9
59.01381	11.4
61.98834	3.1
69.03455	3.1
69.41329	3.1
71.01389	9.4
71.05017	0.9
72.38063	0.6
72.99313	1.1
73.02937	1.4
75.00860	1.2
78.95918	0.7
81.03453	1.0
83.01367	1.3
83.05022	1.4
85.02944	2.2
87.00880	1.5
89.02440	7.8
95.01375	0.8
95.05011	1.0
96.96008	3.8
97.02957	1.8
97.06583	1.7
99.00819	0.8
100.41970	0.5
101.02448	5.3
105.02598	0.5
109.06595	1.1
110.49941	0.5
111.08162	0.8
113.02441	3.5
115.00394	0.8
119.03517	1.1
125.02432	1.7
125.09724	2.7
137.09720	0.6
141.01892	0.6
143.03491	1.1
149.09718	0.9
151.11270	2.2
161.04517	1.1
163.11269	1.8
165.12845	5.7
167.10770	5.1
171.10252	0.6
177.12849	0.7
179.05602	1.7
179.10785	1.5
179.14400	3.5
179.40556	0.5
181.12334	3.8
183.13841	0.7
191.10733	1.2
191.14500	0.7
193.16008	1.0
195.13896	11.1
196.14209	0.6
205.12323	8.8
209.09874	1.1
209.11816	16.7
210.12253	1.3
211.13393	1.0
223.13387	100.0
224.13748	5.6
225.11353	0.9
227.12906	3.3
235.08195	2.1
245.19096	2.4
247.20670	2.6
253.09296	6.1
263.20078	3.6
265.21729	2.1
273.18686	1.2
289.18121	4.7
291.19656	14.8
292.20047	1.0
305.08701	1.0
307.19131	14.0
308.19437	1.2
309.20706	31.2
310.21069	2.4
397.08270	1.1
397.13467	17.5
398.13962	1.2
415.09006	0.9
415.14474	12.0
416.14713	0.7
432.68594	0.5
445.20831	4.0
460.19794	0.6
543.28101	4.0
607.25897	5.3
608.25854	1.4
689.33923	0.7
707.34955	4.5
767.39709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.4
61.98520	0.8
61.98827	5.9
71.01386	4.6
71.55969	0.9
72.99298	2.6
73.02966	0.7
75.00871	100.0
76.01241	0.5
78.83914	0.4
83.01396	1.0
83.05044	0.5
83.39504	0.5
85.02953	1.4
87.00874	1.0
89.02433	3.0
96.95973	0.5
97.02960	0.5
98.20604	0.5
101.02415	3.0
113.02444	1.6
119.03490	1.2
125.02448	1.4
125.09762	0.5
139.11348	0.6
143.03561	1.0
161.04453	0.5
165.12898	1.2
171.10265	1.3
179.05669	1.4
185.16342	0.5
195.13995	1.0
209.11823	3.4
215.23494	0.5
219.79539	0.6
221.06612	0.5
223.13420	0.8
235.08235	1.2
247.20702	0.9
265.21725	0.9
287.07953	0.6
289.18167	0.9
291.19666	6.6
293.21228	17.0
294.21552	1.8
305.08646	0.6
309.20712	12.1
310.21054	1.0
397.13412	10.0
398.14099	0.9
415.14563	11.3
416.14859	0.9
424.61554	0.5
475.09308	0.5
512.73029	0.6
552.92059	0.6
607.26508	0.9
689.33331	0.5
691.35291	1.8
707.34875	1.1
767.36603	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.5661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.7
58.42596	0.9
60.99194	1.0
61.98814	1.7
64.34051	1.0
70.77639	1.6
70.77950	1.6
80.45962	1.0
83.91283	1.0
104.23206	1.0
110.89894	2.8
113.09734	8.8
116.70025	1.0
121.19550	0.9
129.32883	1.3
156.74237	1.0
167.10741	1.8
188.91251	1.2
249.22366	1.2
293.21213	84.2
294.21506	8.5
327.22983	1.1
471.34747	100.0
472.35144	15.9
717.53180	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.4
57.03448	6.4
57.08015	1.2
58.00589	2.0
59.01380	49.2
61.98829	9.3
63.70091	1.2
67.54460	1.3
69.03446	3.8
70.59700	1.2
71.01382	44.4
71.55601	2.0
72.99300	3.8
73.02943	7.5
75.00858	1.7
80.02673	1.3
80.96512	2.7
81.03454	3.1
83.01387	4.1
83.05012	4.4
85.02962	8.3
86.59149	1.5
87.00868	9.6
89.01933	2.3
89.02445	30.6
95.01390	3.6
95.05011	2.6
96.95995	8.3
97.02934	8.5
97.06594	11.1
99.00873	2.6
101.02439	28.1
109.06576	3.2
111.04539	1.7
111.08148	4.4
113.02438	14.0
119.03500	8.1
120.70007	1.3
121.06451	1.5
125.02441	12.7
125.09772	2.7
127.11307	1.5
131.03490	1.3
137.09676	2.1
143.03500	3.7
149.04514	1.8
151.11284	12.8
153.12843	2.2
155.10735	2.6
161.04538	4.7
163.11186	4.1
165.12839	16.7
167.10641	2.0
168.58553	1.3
169.12273	3.1
174.87628	1.3
179.05638	6.1
179.10745	4.8
181.12338	15.1
182.16202	1.2
183.13852	5.3
191.10759	7.9
191.14357	2.1
193.66049	1.3
197.52701	1.3
205.12355	1.8
209.11824	42.4
210.12015	3.3
211.13344	4.8
221.06572	2.6
227.12871	19.2
228.13148	1.4
233.33781	1.4
235.08289	7.5
245.19147	13.8
253.09184	1.9
263.07617	1.3
263.20169	16.5
264.20428	2.5
271.16998	1.9
279.19690	2.3
287.07684	1.4
289.18094	19.7
290.18460	1.6
305.08679	2.4
307.19128	100.0
308.19476	9.6
309.20795	1.3
391.53534	1.5
397.13477	60.5
398.13757	5.8
415.14517	41.1
416.14856	2.5
445.20715	1.5
552.20905	1.4
607.26038	54.0
608.26294	11.7
622.24603	4.0
687.33240	2.8
705.20990	1.7
705.33295	32.9
706.33618	8.1
765.34711	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	765.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
57.03440	0.7
58.00583	1.0
59.01379	21.4
61.98815	1.5
69.03451	1.3
69.73869	0.7
71.01378	15.8
71.05015	2.8
72.99313	1.0
73.02934	2.9
77.40575	0.7
81.03456	1.5
83.01398	1.7
83.05028	1.3
85.02923	3.7
87.00861	2.6
89.02443	12.7
95.01414	0.7
95.05033	1.6
96.95997	7.2
97.02961	1.7
99.00874	0.8
101.02440	12.5
106.04276	1.1
109.02885	0.9
109.06579	7.7
111.04514	2.9
111.08187	0.9
112.05330	0.8
113.02431	5.5
119.03483	4.3
123.08170	1.2
125.02434	4.0
127.07631	1.4
131.24628	0.8
137.09712	1.0
143.03459	1.5
143.10809	1.2
145.06581	1.8
149.09702	2.2
161.04550	3.0
167.10738	1.7
179.05609	3.1
179.10767	1.5
191.14517	0.9
193.05093	0.7
195.13914	2.5
204.21909	0.7
221.06706	1.1
235.08168	3.6
235.13306	1.1
245.19095	5.7
263.07654	0.8
271.17068	1.1
277.04410	0.7
287.07727	2.1
287.16449	2.0
289.18076	100.0
290.18414	8.9
305.08765	1.2
307.19153	7.6
308.19202	1.2
323.09683	1.4
377.05530	0.8
397.13480	47.6
398.13815	3.4
415.08884	1.4
415.14532	27.4
416.14893	1.8
517.30060	7.2
559.31146	5.1
560.31293	1.1
667.69287	0.9
687.32422	5.2
688.32745	1.0
705.34180	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11889	0.3
59.01378	1.2
60.99306	16.6
61.98834	1.6
63.43175	0.2
71.01387	1.2
80.96486	0.6
87.00873	3.0
88.00410	4.4
88.01221	0.3
88.98804	100.0
89.02440	32.4
89.99159	1.0
90.02779	0.4
98.20678	0.5
98.23379	0.3
101.02448	0.5
113.02415	0.3
117.40041	0.2
117.58528	0.3
171.10297	0.3
207.10229	0.6
211.13377	1.0
235.08167	0.4
253.71741	0.3
277.21738	1.4
397.08939	0.4
397.13559	2.9
398.13644	0.3
415.14777	0.8
447.22696	0.3
481.52518	0.3
765.38098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.9
57.03432	2.9
58.00581	1.7
59.01379	38.8
60.08329	0.7
61.98818	4.5
63.99097	0.6
69.03443	2.5
71.01382	30.5
71.55836	1.3
72.99312	2.4
73.02944	4.8
75.00855	1.2
80.02698	0.9
81.03450	3.7
83.01383	5.9
83.05006	2.9
85.02952	6.5
87.00883	5.9
89.02441	27.9
89.53564	0.7
93.03432	0.8
95.01390	2.8
95.05028	2.2
96.96008	1.5
97.02948	6.1
97.06577	3.9
99.00835	1.4
101.02447	24.5
106.04236	1.0
108.06515	0.6
109.02955	0.6
109.06575	1.6
111.04520	1.0
113.02438	11.3
119.03500	8.3
121.06563	1.1
123.04554	4.5
123.08171	2.7
125.02464	7.4
125.09723	7.7
131.03502	1.4
135.08182	1.3
137.06100	0.8
137.09741	4.4
141.01965	1.8
141.12868	1.3
142.02660	0.7
143.03491	5.3
149.04529	1.2
149.06061	1.2
149.09642	0.8
161.04575	5.3
161.09679	1.0
163.11272	8.7
164.08441	0.6
164.11525	0.9
165.09135	0.7
165.12843	2.0
177.12831	1.3
178.39328	0.7
179.05602	5.0
179.10803	1.4
181.12317	2.0
185.11800	9.1
186.12206	0.7
189.12819	1.0
191.10745	1.5
191.14409	9.6
194.34880	0.7
203.05717	0.7
207.10210	4.7
208.14374	0.9
209.11816	21.6
210.12175	1.1
211.13219	3.6
217.07318	0.8
217.15958	2.0
221.06644	1.9
225.11263	3.5
227.18045	1.3
235.08221	6.9
237.11273	3.8
243.17572	0.8
245.19070	18.3
246.19421	1.8
247.17049	1.6
253.09204	2.0
263.07709	1.6
263.20157	3.3
271.16995	2.2
281.21164	1.3
287.07898	1.1
289.18085	77.6
290.18381	7.4
299.58817	0.7
305.08707	1.5
307.19138	100.0
308.19531	9.7
323.09659	0.9
325.20181	1.4
397.13510	55.4
398.13583	3.4
415.14563	47.6
416.15027	3.6
482.86603	0.8
607.26392	2.1
687.32190	1.5
705.33191	10.8
706.33740	1.8
745.26605	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.2
58.00596	2.2
59.01380	36.6
61.98833	9.6
63.39258	1.3
69.03457	2.9
69.34391	9.7
71.01382	29.3
72.99313	1.8
73.02956	4.0
79.00528	1.2
81.03484	2.2
83.01385	5.1
85.02954	7.4
87.00871	5.3
89.02441	23.6
95.01393	2.4
95.04975	1.5
96.96004	2.8
97.02937	7.1
97.06578	2.6
98.84196	1.2
101.02442	21.5
111.97958	1.5
113.02467	10.1
119.03509	7.9
123.04511	3.2
123.08142	1.2
125.02456	7.0
125.09710	8.4
131.03511	1.7
135.08192	1.4
137.06120	1.3
137.09703	3.3
143.03484	2.9
144.83003	1.2
161.04550	5.7
163.11311	6.9
164.55966	1.2
165.12822	2.0
179.05608	5.0
181.12314	1.5
185.11809	8.3
191.14417	9.2
207.10240	4.5
209.11836	20.9
211.13348	2.0
221.06602	2.1
225.11317	3.4
235.08232	7.7
237.11293	2.3
245.19078	18.4
246.19414	1.6
253.09348	3.0
263.07706	1.6
263.20139	2.2
271.16727	1.6
289.18085	84.8
290.18454	7.4
291.19806	1.4
305.08578	2.7
307.19144	100.0
308.19476	8.3
346.47180	1.5
397.13483	63.7
398.13904	6.0
415.14523	48.6
416.14871	3.9
505.73636	1.2
607.26404	2.0
687.33276	1.4
705.32990	7.8
706.33636	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	765.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28763	0.3
59.01384	2.5
60.99310	18.2
61.98838	3.2
64.83864	0.3
69.95541	1.3
71.01385	2.0
80.96552	0.4
85.02960	0.4
87.00880	5.3
88.00405	4.7
88.01224	0.5
88.98809	100.0
89.02444	51.9
89.99122	1.3
90.02780	0.7
93.43345	0.3
97.02958	0.3
97.28900	0.3
98.20545	0.4
101.02443	1.0
109.06573	0.4
113.02426	0.4
125.02435	0.4
152.22127	0.3
162.30182	0.3
163.11296	0.3
171.10271	0.3
179.05623	0.4
207.10205	1.5
225.11313	0.7
235.08284	0.4
253.09340	0.5
277.21762	2.7
278.22223	0.4
397.13470	5.3
398.13998	0.6
415.14639	1.6
446.18994	0.3
765.37390	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	6.5
58.00577	1.6
58.87816	1.7
59.01382	45.0
61.98828	24.8
68.68859	1.4
69.03448	5.1
69.65908	1.4
71.01384	45.9
71.01776	2.7
71.23943	1.9
72.99306	5.2
73.02957	6.9
75.00862	2.6
79.95730	1.9
80.96520	2.0
81.03453	2.9
83.01388	4.5
83.05036	3.1
85.02946	8.2
87.00858	9.9
89.02449	34.0
95.01378	3.7
95.05018	2.8
96.96009	16.3
97.02964	7.4
97.06567	10.8
99.00864	1.8
101.02441	27.2
107.05048	2.1
109.02927	2.0
109.06589	2.5
111.08172	6.0
113.02451	12.5
115.00349	1.5
119.03507	10.0
125.02458	10.1
125.09698	2.5
131.03461	1.9
133.02875	1.6
143.03467	5.4
149.09731	2.3
151.11295	10.8
155.10811	3.9
161.04553	5.0
163.11246	4.0
165.12852	15.4
169.12282	3.7
177.09169	1.6
177.12875	2.4
179.05595	5.6
179.10730	5.2
181.12363	14.2
183.10292	2.6
183.13838	3.0
191.10841	9.5
191.14400	3.3
197.11807	1.6
205.12502	2.0
207.10313	1.7
209.11826	56.5
210.12155	3.4
211.13403	6.0
227.12933	11.6
235.08194	8.4
245.19151	10.2
253.09169	3.6
263.07617	1.8
263.20181	13.7
271.16913	2.5
279.19595	2.6
287.07758	2.1
289.18134	19.6
305.08548	2.4
307.19153	100.0
308.19421	9.1
314.38220	1.6
350.67209	1.6
397.13519	69.6
398.13742	5.4
415.14545	42.7
416.14841	3.3
593.24109	1.8
607.26068	47.3
608.26117	8.1
622.24957	3.6
637.48694	1.7
687.32300	3.4
705.21051	2.2
705.33325	40.9
706.33905	9.5
765.38123	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	0.6
59.01377	6.4
69.73809	2.0
70.32720	0.3
71.01372	2.3
73.02945	4.5
85.02954	3.1
85.06585	0.7
87.04514	0.6
89.02447	1.3
96.95988	1.7
97.02934	0.6
97.06550	0.4
98.19913	0.5
101.02438	1.0
111.65756	0.3
113.02443	1.3
119.03516	0.4
123.08164	4.2
125.09717	0.9
130.27170	0.3
134.03732	0.9
135.04543	1.7
135.08156	2.2
141.09221	31.9
142.09555	1.4
149.02405	1.1
149.06129	0.5
153.09210	14.3
154.09535	1.1
163.11302	3.1
164.04793	1.0
165.09225	0.4
167.07103	0.6
171.10268	35.8
172.10614	2.1
178.02713	0.7
179.07133	0.7
185.08177	7.6
193.05042	2.5
197.08162	7.1
208.03748	1.4
209.08247	0.5
211.09633	0.5
215.09229	100.0
216.09555	5.7
223.06123	4.2
229.08643	0.3
237.07483	0.8
239.09244	1.3
257.10303	2.0
358.27301	0.4
377.14505	45.7
378.14902	4.3
385.11465	1.3
387.16803	9.2
388.16998	0.9
403.66455	0.4
779.03607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88147	0.4
57.03431	0.6
58.00606	0.4
59.01379	33.3
60.01712	0.4
61.98837	0.5
66.25173	0.3
67.86588	0.4
69.72266	0.8
69.72680	1.8
71.01380	7.2
72.99292	0.5
73.02943	1.3
79.69231	0.4
83.01386	0.7
85.02943	2.0
89.02437	7.5
94.82491	0.4
95.01357	0.7
98.19868	0.5
101.02441	4.9
113.02460	3.3
119.03474	2.6
123.08112	0.5
134.03728	1.2
135.04517	100.0
136.04868	4.0
141.09225	3.2
142.57614	0.5
153.09222	1.7
163.04028	0.5
163.11273	3.4
164.04778	0.5
171.10265	4.1
179.03467	2.0
185.08174	0.6
197.08231	0.6
207.10233	7.0
208.03796	1.1
215.09219	17.2
216.07043	0.5
216.09454	0.8
223.06102	2.6
297.09769	28.7
298.10168	2.1
333.07416	1.0
341.08685	7.6
342.08887	0.4
343.61356	0.4
377.14243	1.6
385.11517	0.8
387.16574	92.0
388.16901	8.9
412.84113	0.5
529.86182	0.4
655.69244	0.5
773.89026	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
58.00605	0.5
59.01380	37.1
60.01680	0.5
60.91185	0.3
61.98833	0.6
71.01379	7.8
71.54517	0.4
72.99290	0.6
73.02946	2.3
73.79430	0.4
83.01386	0.8
85.02938	2.9
87.00903	0.4
89.02439	7.5
95.01380	0.8
95.05053	0.4
96.36395	0.4
96.96017	0.6
99.00823	0.4
101.02438	5.6
101.31887	0.3
109.06623	0.4
113.02447	4.6
119.03494	3.2
123.08157	0.8
125.09756	0.6
134.03748	1.1
135.04518	85.9
136.04858	3.9
141.09212	6.9
149.02446	1.2
153.09166	3.1
161.99940	0.4
163.11287	3.6
164.04794	1.3
171.10262	9.3
179.03546	1.7
179.07144	0.5
185.08189	1.5
197.08229	1.1
207.10254	8.4
208.03806	1.6
208.10623	0.7
215.09227	33.6
216.09544	1.5
223.06082	4.2
223.75587	0.4
225.11356	0.6
257.10208	0.6
297.09784	25.7
298.10013	2.6
312.60199	0.3
333.07306	0.6
341.08719	6.8
342.09232	0.8
377.14407	2.7
378.14645	0.5
385.11432	1.2
387.16580	100.0
388.16898	11.6
463.63843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
59.01344	0.5
61.98833	2.0
69.35143	1.8
69.35573	1.7
71.01391	0.4
71.05016	0.5
77.16837	0.4
78.95898	0.6
82.95462	0.4
91.29200	0.4
96.96005	0.7
97.06596	0.9
98.19919	0.6
111.08163	0.9
115.00341	0.4
121.10218	3.5
125.09741	2.1
125.10544	0.4
137.09695	0.4
150.33037	0.4
157.80629	0.4
185.11821	5.7
194.12318	0.5
195.13852	1.2
197.11784	1.3
203.07173	0.8
205.08638	0.5
209.11929	0.8
211.13383	0.9
247.09755	1.4
247.20808	0.6
273.18726	0.9
291.19638	85.8
292.19952	7.4
294.04391	0.5
389.15991	0.8
453.33701	5.9
454.34119	1.3
471.34766	100.0
472.35080	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	763.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.7
63.93388	0.1
69.40036	0.9
69.40456	0.3
71.01394	0.6
74.98846	0.1
85.02962	0.6
86.23345	0.1
87.16502	0.1
89.02451	0.2
89.60720	0.1
93.98293	0.1
94.71251	0.1
96.96025	0.4
101.02428	0.4
107.05048	0.3
108.18822	0.1
108.96287	0.1
113.02431	0.3
119.03476	0.2
134.03740	1.0
135.04524	100.0
136.04860	4.4
179.03481	1.2
235.12393	0.2
284.00653	0.1
291.14560	0.2
295.86212	0.1
297.09778	39.8
298.10095	3.4
333.07382	1.4
333.15494	0.4
334.07916	0.2
341.08731	7.4
342.09015	0.5
377.06366	0.3
377.18121	0.5
392.60193	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	759.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.3
57.40285	0.3
59.01376	4.0
61.98821	1.1
63.88464	0.3
69.03477	0.7
71.01382	2.8
71.55050	0.3
80.81935	0.3
81.03513	0.3
83.05045	0.5
85.02950	1.3
87.00876	0.4
89.02455	2.2
90.39442	0.3
95.05042	0.5
96.96003	1.4
97.02943	4.3
97.06602	0.5
101.02441	2.2
111.08157	0.4
113.02451	1.3
115.00365	0.4
119.03522	0.7
119.08689	0.5
125.02495	0.3
125.09724	0.6
137.06090	0.4
137.09712	2.1
143.03525	0.4
161.04573	1.4
163.11241	0.6
165.12827	0.6
171.10268	6.2
172.10635	0.4
177.12866	0.4
181.12308	0.6
183.13890	16.6
184.14250	1.2
185.11891	0.7
192.93579	0.4
193.12381	0.4
195.13885	15.1
196.14241	1.2
197.11783	0.5
206.84285	0.3
208.67686	0.3
209.11818	1.1
211.13383	9.1
212.13780	0.7
213.14948	100.0
214.15273	6.7
221.11804	0.7
225.11435	0.4
227.12886	0.8
239.12817	0.5
247.20644	0.5
253.09273	23.8
254.09604	1.3
255.02966	0.6
256.03229	0.5
273.18661	0.8
283.02341	0.4
284.03033	0.5
285.03998	0.5
291.19659	14.1
292.19922	1.1
309.20694	42.6
310.20935	4.0
368.83365	0.3
446.08633	0.6
447.08679	0.6
447.22263	1.0
448.09164	1.1
527.28625	3.3
528.28949	0.7
545.29816	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	759.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01159	0.5
59.01384	5.5
61.98831	6.1
69.03458	0.8
71.01379	2.1
71.55493	0.6
73.02943	0.5
75.82235	0.4
78.04195	0.4
85.02963	0.6
87.00868	0.6
88.98798	0.6
89.02447	1.8
96.96015	2.0
97.02971	2.2
101.02459	2.7
111.08165	2.1
113.02451	1.2
119.36281	0.5
125.09738	1.3
127.11268	1.4
135.40460	0.6
137.09665	0.6
139.09235	0.5
153.09131	0.6
161.04543	1.5
163.11317	0.6
165.12836	1.4
171.10263	100.0
172.10597	5.7
197.11833	7.9
209.11830	1.5
211.13365	2.0
227.12895	1.3
235.08206	5.2
247.20723	1.2
252.05588	0.6
253.09276	10.2
263.20325	0.5
273.18588	0.7
291.19644	16.7
292.20078	2.2
295.22736	0.5
309.20685	36.9
310.21054	2.8
340.73163	0.5
407.19186	5.2
459.24057	0.5
463.30676	1.4
527.28650	0.9
535.50751	0.5
545.29724	1.6
653.99786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03443	1.4
58.00608	0.7
59.01378	13.9
61.22636	0.4
61.98824	2.5
69.03458	1.6
70.44852	1.3
71.01379	8.9
73.02948	2.1
77.05838	0.5
79.92902	0.5
83.01416	1.0
83.05025	1.2
85.02963	2.4
87.00876	1.4
89.02451	3.9
90.37409	0.5
95.01386	0.9
95.05019	1.1
96.95996	1.6
97.02943	3.6
97.06596	1.0
100.05421	0.4
101.02435	5.4
109.06579	1.9
111.08160	4.4
113.02441	2.5
119.03510	1.2
119.08751	0.5
123.08162	0.8
125.02448	0.6
125.09757	1.6
127.11291	0.7
131.25134	0.5
137.09724	1.1
143.03528	0.7
145.05090	0.9
153.12859	0.5
161.04556	1.9
163.11307	2.8
165.12842	11.4
166.10051	0.5
169.12312	1.5
171.10257	10.9
172.10645	0.8
179.05544	0.6
179.14349	0.6
181.12315	1.4
183.13890	90.5
184.14226	5.2
185.11859	0.6
193.12308	0.6
194.41148	0.5
195.13857	1.0
197.11821	12.9
198.12129	0.8
199.09778	2.1
199.13388	1.5
201.11359	2.2
207.10258	4.1
209.11832	6.1
210.12202	0.8
211.13390	1.7
223.13445	1.2
225.11316	7.2
227.12874	6.7
228.13264	0.7
233.21466	0.6
235.08194	3.4
247.20572	1.7
253.09265	9.0
272.49155	0.5
273.18655	0.8
275.20117	0.8
291.19647	14.7
292.19971	0.9
293.21185	10.3
295.23160	0.6
305.17487	0.5
309.20688	16.4
310.21136	1.5
327.21667	0.7
419.22510	0.7
435.18604	1.0
445.20651	2.5
461.20395	1.3
463.21927	3.4
711.39789	1.2
737.41089	1.8
755.42181	100.0
756.42603	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	755.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
55.51794	0.3
57.03440	1.6
58.00573	0.4
59.01377	7.8
60.42173	0.3
61.98819	0.8
67.01884	0.5
69.03452	6.0
70.86485	0.8
71.01378	4.7
71.05016	1.0
72.99287	0.4
73.02922	0.9
80.02654	0.4
83.01392	1.1
83.05016	1.6
85.02950	1.4
87.00877	0.8
89.02444	4.3
93.03453	1.1
95.05032	1.1
96.96008	6.1
97.02948	3.3
97.06586	0.6
99.00880	0.4
101.02437	5.2
107.01388	0.7
109.06618	0.8
111.08152	2.5
113.02461	2.6
117.07043	0.4
119.03500	1.1
119.08676	0.4
121.02953	3.0
121.10227	0.5
123.04556	0.5
123.08160	0.5
125.02466	1.0
125.09722	0.7
127.07665	0.6
135.08176	0.6
137.09700	1.6
147.11835	0.7
151.00352	1.1
153.09198	1.6
161.04546	2.8
163.11302	2.3
165.09157	1.5
165.12833	8.3
167.03477	0.4
169.12328	0.5
171.10262	4.2
175.11276	0.4
179.05598	0.8
179.14389	0.6
181.12323	8.0
183.13820	1.3
186.63229	0.3
191.10786	8.7
191.14421	0.5
192.11096	0.6
193.12268	1.6
193.15971	0.8
197.11809	6.4
199.13411	0.8
209.04538	2.3
209.11813	56.5
210.12173	3.7
211.13370	4.1
212.13676	0.5
215.12848	1.4
223.13383	0.6
227.12888	2.6
228.13416	0.4
235.08211	0.6
241.43872	0.4
245.18903	0.4
247.20699	2.5
251.16573	0.8
253.09271	41.5
254.09641	2.0
273.18518	1.1
291.19644	32.3
292.20001	3.1
309.20691	100.0
310.21042	9.6
399.64362	0.4
447.22260	0.6
449.34949	0.4
527.28351	0.9
545.29663	6.8
546.29749	0.6
593.23987	2.7
594.24237	0.7
755.29138	2.2
756.29089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45517	0.8
55.01880	4.2
57.03445	3.2
58.00604	1.6
59.01377	63.1
59.06464	0.8
60.01714	0.9
61.98829	4.6
69.03448	2.6
69.80872	4.2
71.01379	45.6
71.14222	0.8
72.01714	0.9
72.99289	1.7
73.02949	10.5
75.00832	1.2
83.01377	5.8
85.02946	23.2
87.00881	5.1
88.98826	1.6
89.02453	10.8
95.01379	5.3
96.96000	11.3
97.02946	4.0
99.00863	5.1
101.02436	25.4
111.00867	2.9
113.02458	16.7
114.02733	1.1
114.88692	0.9
115.00336	4.4
119.03480	2.7
124.01684	1.4
125.02424	5.3
129.01915	1.3
133.01459	5.0
134.03757	6.3
135.04515	2.5
143.03473	2.8
143.10806	1.5
143.28645	1.0
159.02997	2.9
161.04616	4.2
178.02678	3.6
179.03448	2.3
197.15265	1.0
203.47801	1.0
273.93362	0.9
275.09314	3.4
279.40155	0.9
293.10287	6.8
299.25815	1.7
345.22873	4.5
345.29993	4.9
489.34106	3.2
507.35336	9.6
508.35468	1.6
549.32776	1.4
650.37531	0.9
651.39459	100.0
652.39917	14.8
669.40515	64.9
670.40863	10.1
691.36243	1.0
711.41644	41.1
712.41931	7.4
755.31940	1.4
776.84869	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
59.01384	1.4
69.03441	0.4
71.01382	0.8
71.05010	0.5
71.55927	0.3
71.70766	0.2
73.02939	0.7
79.06194	0.2
79.95732	0.8
83.01402	0.3
83.05040	1.4
84.02156	0.8
85.02929	1.1
85.06577	1.4
87.04494	0.4
89.02386	0.2
95.04994	0.3
96.96008	26.4
97.06567	0.6
101.02443	0.6
101.05934	0.3
111.08161	0.5
113.02454	0.3
113.06089	0.3
113.09726	0.5
115.07629	1.7
123.08167	0.8
125.06078	0.3
125.09708	0.5
137.09717	1.0
141.09213	0.8
145.08722	0.6
147.83499	0.2
150.03156	0.3
151.11273	1.1
152.01112	0.8
153.09227	0.9
153.12802	0.6
155.10742	1.4
157.08711	0.4
163.11311	0.5
165.05482	0.3
167.03456	1.3
169.12350	0.3
179.10817	0.3
181.12329	4.9
197.08186	0.7
198.08485	0.3
199.09752	1.9
199.13243	0.3
221.15262	0.3
227.03500	0.2
227.12860	2.2
243.02888	0.6
245.13936	3.4
246.14230	0.5
255.02960	0.5
271.02426	3.8
272.02936	0.3
299.01935	5.7
300.02686	5.1
301.02921	0.4
314.04355	0.8
315.05090	1.4
319.13824	0.7
343.21219	0.6
361.22278	100.0
362.22647	9.2
362.27203	0.6
546.48169	0.3
655.88672	0.3
755.20178	5.0
756.20233	1.2
763.66174	0.3
777.93860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.2
59.01377	14.3
61.98836	8.5
63.02376	1.7
65.00317	12.6
70.80512	4.1
71.01377	14.8
73.02930	2.5
76.72781	1.4
79.95737	2.0
80.96497	2.3
82.95402	2.6
83.01376	6.6
85.02925	3.7
87.00845	2.3
89.02436	8.5
96.96010	47.2
97.02921	3.8
99.00849	1.7
101.02423	6.9
104.33791	1.4
107.01385	19.0
113.02421	5.6
115.00371	2.6
119.03485	3.4
121.02956	17.9
123.04532	6.8
124.01636	2.5
125.02451	33.0
125.09715	2.3
151.00357	53.9
152.00781	2.0
153.09262	1.5
155.10794	1.8
159.04379	2.3
161.02467	2.0
161.04555	1.6
165.01863	2.7
167.03497	14.5
169.01393	3.2
171.10272	8.8
172.05234	2.6
173.06004	2.1
175.00377	2.7
179.05626	3.3
186.06779	1.9
193.01411	1.7
197.11798	8.9
199.04063	1.7
199.07852	2.1
199.09752	6.2
209.04498	14.4
209.11745	4.2
210.04758	1.7
211.03917	1.5
211.13361	2.4
213.11243	2.8
215.12859	89.1
216.13222	3.8
225.05531	3.3
227.10666	2.4
235.08147	2.6
241.12273	4.9
242.12459	1.6
253.09122	4.4
253.11954	2.2
266.08926	1.8
283.02335	1.6
284.03378	3.2
285.03891	5.6
291.19266	1.6
295.02264	1.7
297.03879	2.2
297.14960	1.4
298.04819	1.7
306.05353	2.1
307.05750	1.4
308.03238	5.5
309.04028	9.5
309.20657	6.1
311.05765	1.7
397.13513	12.0
405.20309	1.9
415.14487	11.7
423.21701	3.8
441.22784	2.1
451.13580	2.3
471.09314	1.7
471.15460	1.6
575.22400	3.9
593.23901	100.0
594.24127	21.7
597.23877	1.8
635.25061	4.2
639.25085	2.7
657.25720	3.2
737.28107	2.0
755.29059	80.0
756.29291	23.1
781.60950	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	754.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.3
61.98827	100.0
62.98545	0.2
71.01396	0.2
101.02437	0.2
143.28403	0.1
171.10243	0.1
231.34248	0.1
293.21106	0.6
294.21515	0.8
295.21985	0.3
398.14218	0.1
399.14175	0.2
400.14362	0.1
416.14676	0.2
417.15427	0.2
418.15485	0.1
429.64493	0.1
441.80597	0.1
754.35883	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83150	0.3
59.01383	0.3
65.35944	0.3
69.20128	1.7
69.20553	1.2
71.01003	0.6
71.01386	7.9
72.99295	0.9
88.98787	0.4
89.02451	0.7
89.71946	0.3
96.51418	0.3
96.96025	0.7
98.20643	0.7
107.01377	0.5
111.88696	0.3
115.00368	14.3
132.02199	0.4
133.01422	13.7
133.02992	1.2
134.03741	1.1
136.01648	0.6
137.02422	0.8
151.00407	1.7
151.03954	0.4
175.03911	0.5
177.01823	0.4
199.03993	0.3
211.04044	0.3
216.04433	0.5
227.03557	0.4
240.04230	0.6
241.05067	0.7
243.03017	1.0
255.02969	21.0
256.03708	11.6
256.06482	0.4
257.04175	0.6
268.03738	0.5
269.04514	0.4
271.02423	0.6
273.52646	0.3
281.04623	0.5
283.02466	32.8
284.03235	60.1
285.03983	37.0
286.04355	2.7
296.03198	0.6
297.04050	1.1
298.04794	0.5
313.03519	0.9
326.04108	0.3
327.05176	0.5
368.38367	0.4
433.09253	12.9
434.09549	1.7
441.99225	0.4
446.08466	6.1
447.09259	4.3
448.09351	0.5
459.07300	0.3
515.89624	0.3
595.14532	100.0
596.14862	17.4
639.13751	4.8
640.14050	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.2
61.98828	100.0
62.98531	0.2
69.62852	0.2
69.63258	0.2
71.01392	0.2
88.57011	0.1
89.02451	0.1
98.19969	0.1
113.02432	0.1
136.17595	0.1
188.40491	0.1
212.12460	0.1
212.80807	0.1
237.59813	0.1
251.59929	0.1
293.21106	0.6
294.21570	0.7
295.21869	0.4
296.22116	0.1
339.40738	0.1
344.90302	0.1
397.13589	0.2
398.14075	0.1
399.13931	0.1
415.14722	0.1
416.14987	0.1
417.15073	0.2
418.15350	0.1
427.34729	0.1
547.24542	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.5
59.01384	7.6
60.75295	0.7
61.98831	4.7
69.03468	4.1
69.71040	4.8
71.01385	7.0
71.05017	2.1
73.02953	1.4
75.00876	1.3
83.05043	0.9
85.02949	1.8
88.31438	0.9
89.02431	2.6
95.15393	0.8
96.95978	1.2
97.06573	1.7
99.00829	0.9
101.02435	4.1
111.57944	0.9
113.02463	1.7
123.08083	0.9
125.09642	1.3
138.94020	1.0
149.14708	0.9
149.92088	1.0
151.11247	2.0
153.12854	1.6
160.18521	0.9
161.04529	1.4
161.09625	1.7
163.11209	2.2
171.10390	1.7
179.10764	4.6
183.13925	1.6
190.09595	0.9
195.13875	3.2
197.11824	72.4
198.12141	3.9
205.08432	1.4
207.10269	2.1
209.11804	11.3
210.12283	1.5
211.13483	1.6
223.09756	2.1
223.13326	1.6
225.11336	2.6
226.39500	0.9
227.12889	2.6
241.10820	4.9
245.34138	1.0
253.09294	4.7
255.02914	4.4
275.19873	1.2
283.02536	2.6
284.03061	1.0
289.18112	1.1
291.19666	1.9
293.21234	9.7
294.21497	1.5
307.19073	3.0
309.20654	2.1
446.08630	5.0
459.18777	1.1
477.19638	1.7
527.29376	1.0
735.41022	1.8
753.40631	100.0
754.40961	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.0
57.03449	3.6
58.00585	2.7
58.78930	1.0
59.01379	71.3
60.01723	1.4
69.03457	2.6
70.15335	3.3
71.01380	48.0
72.99326	1.7
73.02943	10.8
81.03448	1.4
83.01376	9.1
85.02950	21.8
86.00990	1.0
87.00873	5.2
89.02448	16.3
95.01394	4.4
96.95997	1.0
97.02948	2.8
98.19847	1.1
99.00889	5.7
101.02443	29.3
101.03111	2.0
111.00897	3.5
113.02456	20.0
119.03522	7.3
125.02480	6.4
131.25175	1.1
143.03456	2.2
143.10786	5.5
161.04572	4.6
187.50682	1.4
313.88409	1.2
343.28461	2.2
389.30548	1.2
487.32562	7.0
505.33859	8.9
506.34106	1.3
543.74182	1.2
649.38019	100.0
650.38373	18.4
667.39093	67.4
668.39496	10.7
709.40100	36.7
710.40381	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	753.391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
57.03443	3.6
58.00586	2.4
59.01377	81.6
60.01701	1.3
61.98824	11.8
66.83784	1.3
70.51150	4.1
71.01382	58.0
72.99305	2.9
73.02950	11.4
80.96468	1.4
83.01378	7.7
85.02946	28.3
87.00869	6.4
89.01942	1.4
89.02443	22.2
91.52237	1.2
95.01377	5.6
96.96001	4.8
97.02943	3.6
99.00869	5.5
101.02444	36.2
103.01422	1.2
104.98413	1.4
111.00856	2.1
113.02448	28.8
119.03522	7.4
125.02435	5.4
133.01320	1.3
138.33827	1.7
143.03448	3.7
143.10765	2.4
146.07880	1.2
152.24512	1.2
159.02959	1.6
161.04507	4.1
171.10211	2.2
179.05576	1.7
280.99896	1.2
329.98431	1.3
343.28400	1.7
487.32629	7.2
505.33606	7.1
649.37976	100.0
650.38281	19.3
667.39026	69.7
668.39465	13.9
709.40070	46.6
710.40735	11.1
753.30188	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	751.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19655	0.5
55.01870	0.7
57.03451	2.8
58.00601	0.8
58.08033	0.6
59.01381	23.0
61.98829	2.7
67.45000	0.6
69.03456	1.5
71.01384	20.0
71.54939	0.7
72.99303	1.8
73.02940	2.5
80.96532	0.6
81.03445	0.9
83.01385	2.2
85.02946	4.6
86.73328	0.7
87.00871	3.7
89.01929	1.2
89.02448	15.5
95.01376	1.8
96.96001	0.7
97.02937	2.9
97.06578	0.6
99.00861	0.9
101.02438	12.3
109.06621	0.9
111.00919	0.6
111.04506	0.7
113.02454	7.0
113.09741	10.3
115.04079	0.7
119.03519	4.7
125.02460	5.6
131.03548	0.8
139.11320	1.2
143.03482	2.3
161.04526	2.7
167.10770	1.3
171.10263	1.7
179.05569	3.1
179.10722	1.3
183.13867	2.2
195.13882	2.3
211.13303	1.0
221.06606	1.6
222.44473	0.6
225.11320	0.9
235.08260	6.2
249.22177	1.2
253.09247	1.4
275.20157	2.2
287.07755	1.7
289.03900	1.5
293.21231	100.0
294.21573	9.8
305.08890	2.1
309.20380	0.8
323.10092	0.6
397.13498	64.9
398.13925	5.4
415.14590	25.8
416.14838	1.4
649.10651	0.7
691.35272	8.2
692.35840	1.6
751.35004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03439	1.0
58.00590	0.3
59.01104	0.4
59.01382	6.1
61.98827	0.7
64.42477	0.2
67.01887	0.4
69.03458	2.4
71.01006	0.4
71.01382	5.2
71.05017	1.0
71.11819	0.4
71.12165	0.3
72.99306	0.4
73.02943	0.8
83.05025	0.8
85.02950	0.9
85.06597	0.3
87.00861	1.1
89.02448	3.2
93.03475	0.4
95.05059	0.7
97.02942	1.7
97.06588	0.7
101.02442	3.6
108.05791	0.4
109.06596	1.0
111.08163	4.7
112.08472	0.3
113.02448	2.1
118.55959	0.2
119.03526	0.9
121.10245	0.4
123.08177	0.5
125.09727	0.8
127.07649	0.4
135.11787	0.3
137.09700	0.8
143.03487	0.6
145.05014	0.7
149.09727	0.6
151.11227	0.5
153.09204	0.5
153.12839	0.6
161.04514	2.0
161.13322	0.3
163.11266	0.8
165.12823	1.7
167.10756	2.9
169.12332	2.3
171.10333	1.7
177.12814	1.0
179.05594	0.9
179.10779	1.5
179.14389	3.3
181.12364	0.9
183.13849	0.6
193.12274	0.4
195.13893	10.5
196.14272	0.8
197.11827	28.3
198.12109	1.5
199.13345	1.6
205.12320	8.3
205.13715	0.2
206.12605	0.4
207.20641	0.3
209.11813	0.6
211.13397	4.1
212.13809	0.4
221.11806	0.9
223.13382	100.0
224.13722	7.0
227.12958	1.7
235.08203	4.2
239.12967	0.4
247.20668	1.3
249.14993	0.5
253.09273	15.5
254.09662	0.4
263.20093	1.1
265.18021	0.7
273.18561	1.2
291.19647	18.2
292.19910	2.0
293.21210	0.8
309.20700	55.7
310.21030	5.7
328.13654	0.3
348.83029	0.3
366.21005	0.3
382.87054	0.3
433.20871	0.5
441.21146	1.0
459.22354	11.8
460.22461	1.5
470.94614	0.3
475.66736	0.3
515.33691	1.0
527.28442	0.7
534.76758	0.3
545.29541	2.4
715.56012	0.3
751.42938	2.0
752.42737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76165	1.1
57.03439	2.8
59.01379	32.3
61.98830	14.6
69.19270	12.9
71.01381	26.6
71.05021	1.6
72.99316	2.5
73.02941	3.6
77.82086	1.5
78.95904	1.5
80.96519	1.9
83.01379	3.6
85.02953	8.3
87.00875	6.6
89.02449	26.2
92.17778	1.3
95.01389	1.4
96.96002	2.5
97.02945	5.1
98.19899	2.4
99.00846	1.9
101.02441	21.6
107.01430	1.7
111.04529	1.6
113.02468	10.7
113.09745	8.2
115.00371	2.3
119.03495	6.1
125.02453	10.1
131.03419	1.7
133.01402	1.4
141.01897	1.8
143.03503	3.7
144.45860	1.4
161.04620	6.0
167.03401	1.5
171.10199	2.6
179.05621	4.0
195.13910	1.9
207.58316	1.4
211.13416	1.2
221.06554	2.4
225.11336	2.5
235.08186	7.6
235.17023	9.3
253.09323	3.5
275.20175	10.8
287.07846	2.5
293.21198	100.0
294.21457	9.4
305.08792	3.0
323.09897	1.6
397.13495	93.8
398.13892	7.3
415.09009	2.5
415.14563	45.7
416.14767	3.7
479.94308	1.4
568.60315	1.6
691.35590	7.2
751.37158	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	751.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94208	0.3
57.03445	0.7
58.00580	0.7
59.01378	14.0
60.01714	0.3
61.98824	2.6
69.03454	0.6
71.01382	11.4
72.58215	0.3
72.99303	1.0
73.02945	1.9
81.03436	0.3
83.01389	1.1
85.02939	2.1
87.00871	2.1
89.02440	10.4
95.01372	0.8
96.96035	0.4
97.02959	1.9
98.20689	0.4
99.00869	0.5
101.02442	8.4
102.02788	0.4
113.02457	4.4
113.09706	0.4
118.92554	0.3
119.03489	2.5
123.08186	0.3
125.02444	3.1
131.03549	0.6
133.05054	0.3
138.35802	0.2
143.03506	1.5
149.02440	0.3
161.04553	1.9
179.05623	2.5
179.14413	0.7
195.13898	6.9
196.14601	0.9
205.12325	0.6
211.13255	0.5
221.06589	0.7
223.13373	4.9
223.16792	0.4
224.13919	0.3
228.13606	0.7
231.21117	0.4
235.08228	2.9
253.09299	1.0
256.13181	1.2
263.07623	0.4
265.21689	0.4
275.20142	4.1
287.07629	0.7
293.21204	100.0
294.21536	9.6
305.08817	1.1
323.10095	0.5
397.13467	27.7
398.13806	2.4
415.14542	33.3
416.14987	2.5
454.01169	0.3
654.27521	0.9
669.02563	0.3
691.35321	4.9
692.35657	1.2
704.45898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05228	0.2
59.01383	1.3
61.98827	0.6
70.87345	0.4
70.87688	0.1
71.01378	1.5
72.99300	2.3
73.02932	0.2
75.00871	100.0
76.01210	1.1
77.90213	0.1
82.25692	0.1
85.02977	0.4
87.00890	0.4
89.02443	1.3
97.02954	0.3
98.49742	0.1
101.02426	0.9
109.06643	0.2
113.02454	0.4
119.03482	0.3
125.02446	0.4
141.02107	0.1
143.03529	0.2
161.04549	0.4
171.10236	0.3
179.05624	0.4
195.13841	0.3
223.13385	1.0
224.13777	0.2
235.08252	0.6
253.09363	0.3
277.21713	3.1
278.22064	0.3
287.07736	0.3
289.18143	0.4
290.18546	0.2
291.19656	1.7
293.21500	0.2
305.08875	0.3
309.20639	0.2
397.13483	7.1
398.13855	0.6
398.45108	0.1
415.14587	2.3
416.14856	0.2
554.78906	0.1
669.84875	0.2
675.36328	0.4
700.17426	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.2
60.48049	0.1
61.40160	0.2
61.98824	0.4
66.53801	0.1
69.20438	0.4
69.20841	1.3
71.01392	0.1
78.95909	0.8
79.95737	3.1
96.96010	100.0
98.95568	0.2
110.51933	0.2
118.90575	0.1
195.13930	0.3
484.56332	0.1
525.55328	0.1
720.14496	0.2
751.42267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.4
61.98824	1.3
71.01385	1.4
71.55280	0.2
71.55680	0.4
72.99297	1.8
75.00871	100.0
76.01204	0.8
78.60244	0.2
85.02939	0.5
87.00903	0.4
89.02420	1.3
97.02968	0.3
101.02418	1.3
112.00838	0.2
113.02431	0.5
119.03487	0.4
125.02458	0.6
136.06639	0.3
143.03511	0.3
148.65448	0.3
161.04543	0.2
168.98476	0.2
171.10233	0.2
221.11893	0.5
223.13568	0.3
235.08115	0.6
277.21701	3.0
278.22189	0.4
291.19727	0.9
293.21338	0.6
305.08807	0.4
397.08359	0.4
397.13541	6.8
398.13876	0.7
415.14526	2.4
436.92307	0.2
607.91827	0.2
675.36774	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66132	0.1
61.98835	0.2
69.69180	0.5
69.96101	0.1
70.89954	0.1
71.01366	0.1
71.37576	0.1
78.95907	0.7
79.95738	3.4
96.96011	100.0
97.95956	0.3
108.46171	0.1
185.20752	0.1
207.05948	0.1
258.36655	0.1
293.21371	0.1
375.19659	0.1
399.69022	0.1
464.85931	0.1
503.11560	0.1
575.75421	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	750.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56046	0.2
55.69685	0.2
59.01383	9.8
60.01727	0.8
61.01809	0.2
61.98833	100.0
69.95375	0.2
71.55900	0.3
71.72623	0.2
75.46062	0.2
85.27226	0.2
121.76973	0.2
245.92116	0.2
293.74188	0.2
336.09824	0.2
458.17422	0.2
476.18463	0.3
513.13171	0.3
514.13245	0.4
515.13599	0.9
528.15100	0.6
529.15063	1.0
572.16400	0.2
602.18341	0.3
603.19507	0.2
604.19617	0.3
614.21063	0.3
615.20636	0.5
616.20300	1.8
617.20508	7.4
618.20862	0.7
635.17499	0.2
648.19543	0.3
649.19525	0.7
690.23895	0.4
749.25531	0.3
750.25122	9.5
751.24414	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	749.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36521	1.3
58.00595	2.5
59.01108	2.0
59.01379	25.8
61.98827	11.0
66.37372	1.4
71.01382	22.9
71.09842	2.9
72.99303	1.4
73.02940	5.3
78.95905	1.9
83.01392	3.0
85.02946	2.8
87.00873	4.8
89.02445	16.5
96.96007	2.9
97.02938	2.3
99.00874	2.6
101.02438	15.4
113.02454	6.5
113.77589	1.3
115.00369	1.6
119.03487	5.4
121.10228	6.1
125.02435	4.5
125.09705	6.3
129.06931	1.2
133.01448	1.9
139.02527	1.2
143.03484	3.1
145.98271	1.6
161.04591	2.7
171.10210	2.0
179.05582	3.0
185.11800	10.1
197.11824	3.4
209.11824	6.3
211.13370	6.4
235.08174	4.6
241.23602	1.5
253.09399	2.1
255.02997	3.6
263.19992	1.8
273.18710	2.9
283.02490	1.5
291.19659	100.0
292.20035	9.9
309.20779	2.4
330.91440	1.8
397.08298	2.9
397.13495	58.3
398.13739	3.6
415.14597	28.8
416.15009	2.5
419.64218	1.5
446.08423	3.0
527.19440	1.9
689.33521	20.4
690.34161	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	747.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31191	1.8
56.82254	1.4
58.31099	1.5
59.01376	63.7
61.98826	3.4
62.66401	1.8
69.46101	2.5
69.46503	10.1
78.95909	2.3
87.87157	1.6
88.98815	5.2
89.02444	7.6
92.92809	14.7
181.70943	1.9
255.23347	2.0
276.29645	1.6
281.24881	1.9
469.18866	4.0
481.15338	2.3
483.12970	3.0
483.20123	2.0
495.16995	10.0
497.15295	2.2
497.22141	4.1
498.15381	2.2
498.22424	2.2
499.16299	7.8
500.16617	3.0
510.15463	2.2
512.12848	2.7
523.16119	14.1
524.16437	5.1
525.14099	1.9
526.14856	17.9
527.14355	8.5
528.19788	3.0
538.18610	3.2
539.16772	2.9
541.20782	6.7
553.13196	3.0
554.14722	1.9
558.17413	2.9
569.16797	18.1
570.14343	7.7
571.15710	2.0
581.16504	2.2
586.17419	2.1
596.19141	36.2
597.19794	36.9
598.20459	11.2
599.20575	3.6
600.20612	3.2
601.23065	51.7
602.23492	17.6
612.18585	52.0
613.18842	17.4
614.20166	16.1
615.20917	3.5
618.15521	3.0
627.20990	19.6
628.18420	14.2
631.24176	19.8
632.23773	8.8
655.20502	63.9
656.20709	19.4
657.22113	11.5
658.22388	3.5
672.20715	100.0
673.10272	2.4
673.21033	33.2
687.23175	30.1
688.13055	1.9
688.23138	9.6
704.19653	3.4
747.25171	20.0
747.50665	1.9
748.25238	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	746.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
70.52460	0.2
71.12272	0.4
71.12611	0.2
96.96010	0.7
130.76094	0.2
157.13000	0.2
171.10303	0.7
172.10660	0.3
175.32610	0.2
238.49400	0.2
246.16643	0.2
255.23248	0.2
293.21326	0.3
294.21609	0.2
320.55383	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97705	0.4
59.01383	100.0
60.01720	1.0
65.45353	0.3
66.68635	0.4
70.77749	1.0
79.73831	0.4
80.36996	0.4
80.67673	0.3
135.79187	0.4
171.92786	0.4
179.38892	0.4
268.75745	0.4
440.14462	0.5
453.11792	0.5
454.09253	0.6
455.17252	3.6
456.17407	0.9
459.16965	0.6
467.13464	0.8
469.11353	0.5
472.13461	0.4
473.18451	4.9
474.18759	0.6
483.12753	1.1
496.13965	2.4
497.14532	0.7
499.16177	0.7
510.15338	0.8
511.15976	1.4
512.06256	0.8
512.13416	9.3
513.13574	3.1
525.14044	1.2
526.14941	11.8
527.15576	4.7
556.15259	0.4
569.16656	1.7
586.16998	0.7
599.18378	1.5
600.18536	1.7
601.19537	3.7
602.20001	0.8
613.19550	1.9
614.20215	75.7
615.20514	19.2
618.16229	0.6
632.17401	1.8
646.19348	9.1
647.19604	2.2
673.21521	0.7
687.23169	3.5
688.23505	1.4
747.25262	61.2
748.25482	21.0
748.39294	0.6
756.87762	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12648	0.3
55.30595	0.3
59.01373	1.7
61.98820	0.8
69.30460	2.9
71.01398	1.4
73.02940	1.5
85.02951	1.6
85.16279	0.3
87.00893	0.8
87.04527	1.0
89.02453	0.4
95.52206	0.3
96.96021	1.5
97.02923	0.4
101.02420	0.7
113.02444	1.3
121.06586	0.6
123.08143	0.9
127.07668	0.8
135.08147	1.0
137.09711	6.1
153.05310	0.4
153.09201	1.3
155.10774	71.4
156.11069	3.5
159.12712	0.3
161.04539	0.8
169.12366	0.7
175.07388	0.5
177.05321	0.4
181.05031	0.4
181.08641	0.8
193.08444	3.9
199.09744	100.0
200.10049	5.7
205.08423	0.6
207.06389	2.4
213.11328	0.5
221.07935	72.8
222.08263	4.1
235.09503	12.5
235.11674	0.3
236.09772	1.0
237.07463	1.4
239.07709	1.4
241.10770	2.0
263.09003	4.0
281.08777	0.4
293.09009	0.5
361.14999	20.1
362.15381	2.6
383.13144	0.5
421.17172	4.2
422.17432	0.7
463.18057	0.9
583.23187	2.6
584.22961	0.8
629.27234	0.7
745.29016	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	745.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67022	0.7
57.03461	0.7
59.01377	14.0
59.21829	0.7
60.21514	0.7
61.98822	2.0
62.43946	0.6
70.57774	0.9
71.01378	2.7
71.55782	1.0
71.77030	0.8
73.02940	5.7
76.15860	0.6
80.22099	0.6
85.02926	3.1
87.04506	1.0
89.02435	1.0
96.96002	1.9
97.02954	0.6
97.06602	0.7
101.02436	1.8
113.02464	1.9
123.08170	3.8
134.03720	1.6
135.04512	9.6
135.08139	1.9
141.09206	33.9
142.09523	1.5
143.03391	0.6
147.04498	0.6
153.08044	1.3
153.09201	13.3
154.09547	0.9
161.04515	1.1
161.08186	1.6
163.97862	0.6
165.09221	0.7
171.10260	34.1
172.10651	2.0
178.02785	0.8
185.08159	6.7
193.05057	4.0
197.08202	6.8
206.98653	0.6
207.06642	0.6
215.09225	100.0
216.09592	5.1
239.09302	1.4
257.10300	2.7
291.14453	0.9
297.09720	2.6
322.12619	0.8
333.15396	1.4
355.10229	0.8
367.15900	1.3
377.14496	43.6
378.14630	3.6
602.23169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.9
61.98819	2.0
71.01376	2.0
72.59110	0.3
73.02930	0.6
75.66093	0.3
78.95901	0.3
85.02943	0.6
87.00879	0.5
89.02433	1.3
96.96004	0.5
98.19915	0.6
98.34470	0.3
99.00896	0.3
101.02424	2.3
113.02439	1.0
119.03481	0.6
125.09731	1.0
127.11284	1.4
131.12903	0.3
131.74173	0.3
145.05072	0.6
153.09167	0.5
161.04538	1.2
171.10258	100.0
172.10617	4.2
193.83879	0.3
195.13885	2.9
223.13396	2.0
235.08249	5.5
236.08528	0.5
253.09283	10.2
275.20166	4.3
293.21216	40.0
294.21588	4.2
391.18271	0.3
407.19159	5.5
408.19794	0.3
447.30646	0.4
463.32980	0.3
511.29083	0.7
529.30225	0.9
607.46722	0.4
754.85211	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13404	0.3
54.19462	0.4
55.01874	0.5
56.95689	0.3
57.03428	0.6
58.00603	0.9
59.01377	100.0
60.01716	0.9
69.03461	0.9
71.01379	24.7
71.54893	0.5
72.01762	0.4
72.99313	1.2
73.02944	28.3
78.43112	0.4
80.96518	0.5
81.03436	0.6
83.01383	9.2
83.83326	0.4
85.02956	4.4
87.00867	1.1
88.17623	0.4
89.02441	9.5
95.01383	1.0
96.96004	5.8
97.02944	0.5
99.00894	1.1
99.08174	0.4
101.02438	31.8
102.02785	0.9
111.00852	0.4
113.02448	11.5
119.03482	4.1
125.02457	1.2
131.03473	3.2
132.03870	0.5
143.03497	3.7
145.08740	0.9
149.04550	6.3
152.98743	0.5
155.03468	0.9
161.04536	12.5
179.05612	0.9
185.11826	0.7
203.05634	1.8
204.87715	0.4
221.06631	4.0
241.00230	4.4
242.00706	0.5
243.00452	0.4
261.13562	0.9
262.51657	2.5
263.01837	1.9
263.14847	2.8
267.12109	0.5
268.03766	1.1
269.04449	1.1
270.02835	3.7
270.53015	1.8
271.02963	1.0
284.03296	2.9
285.03680	1.0
299.05582	2.1
300.05878	0.7
303.14413	2.5
310.00580	2.0
310.51071	1.1
311.00974	0.9
395.19171	18.8
396.19351	2.0
431.09824	3.2
432.10147	0.7
517.98920	0.4
541.06647	1.6
542.06750	0.8
601.51349	0.4
647.15942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19128	2.6
57.03436	4.2
59.01385	31.5
61.98829	17.6
69.03451	3.3
70.02211	12.4
71.01384	21.3
73.02937	4.2
80.96517	3.0
84.76749	2.6
85.02947	7.8
85.50014	2.5
88.98753	2.5
89.02431	16.3
96.96013	30.2
97.02971	5.9
98.20686	2.8
98.95588	2.4
99.00862	5.1
101.02465	15.4
109.02931	4.6
113.02432	7.4
115.00358	10.9
119.03472	4.3
121.02912	3.6
121.24084	3.2
125.02462	13.8
133.01440	7.1
133.02972	16.3
134.03658	5.9
137.02457	6.3
151.00345	5.0
161.04605	3.6
171.10231	6.1
177.01910	4.9
178.02676	9.4
185.11725	3.7
190.55482	2.9
191.05611	3.9
197.11821	9.4
199.09801	4.0
201.11327	3.7
209.11824	4.3
211.13356	21.8
212.13797	4.0
221.39194	2.9
225.11304	4.7
227.12872	4.2
232.82687	2.7
235.08170	7.2
251.16580	4.8
253.09378	3.3
257.13937	4.0
287.08066	2.8
289.18326	3.8
291.19650	43.8
292.20007	3.0
297.14856	3.8
299.16229	2.8
309.20749	78.3
310.21005	7.6
327.15848	2.8
328.16299	3.7
329.16690	3.4
343.15485	2.6
369.13419	3.2
372.31235	2.7
397.13483	81.1
398.13882	7.2
415.14627	58.5
416.14658	4.6
438.48654	2.8
495.16650	6.3
565.26050	3.1
581.26184	4.0
582.26440	2.7
583.26398	15.5
609.27893	19.8
627.25537	10.1
689.33655	30.2
690.34235	6.9
699.23297	8.7
700.23572	5.0
707.35260	19.5
743.32605	100.0
744.33118	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
59.01379	14.8
59.30653	1.0
61.98830	25.8
63.99253	1.7
70.69312	1.3
70.69633	2.1
71.01374	5.0
75.00847	1.5
76.10111	1.0
78.95886	1.2
85.02942	1.0
87.00851	1.1
89.02443	3.4
96.95979	1.4
97.06577	1.1
101.02432	5.4
109.06579	1.4
113.02408	2.7
123.08157	1.1
125.09725	3.6
139.11214	1.1
141.12833	2.3
155.10786	1.0
161.04495	1.3
167.10767	3.9
171.10257	4.1
185.11818	88.9
186.12170	4.5
195.13896	3.1
197.11626	1.0
199.09744	3.0
201.11311	1.2
201.65401	1.0
207.10194	2.7
209.11771	1.6
211.13403	4.2
223.13393	2.3
225.11304	2.1
227.12863	2.7
228.13300	1.5
229.10788	1.6
234.63275	1.0
235.08000	1.0
241.09645	0.9
253.09233	6.7
266.51736	1.0
284.03061	1.3
293.21216	14.0
294.21503	2.5
295.22577	1.0
435.18384	1.5
461.19888	1.9
465.19348	2.1
533.90222	0.9
536.35242	1.0
540.72296	1.1
579.25684	1.3
741.40698	100.0
742.40906	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13920	4.1
59.01374	35.9
59.03639	3.2
61.98860	3.7
69.34867	27.4
71.01007	4.1
71.01374	14.9
81.85854	3.3
82.16712	3.3
83.01382	4.8
85.02923	4.0
89.02446	15.9
96.96002	8.8
97.02950	4.1
98.20731	6.4
101.02437	13.5
113.02461	4.1
125.02447	3.8
131.43318	4.2
137.09619	3.6
146.60001	4.4
155.10777	9.8
161.04477	5.7
163.11301	4.7
173.72652	3.9
179.16426	3.7
190.68968	3.5
191.14452	3.5
199.09741	10.3
209.11830	15.5
211.13382	5.3
225.11095	3.4
235.08028	3.6
240.57597	3.3
268.03992	5.0
289.18088	56.0
307.19092	66.8
373.25851	11.5
397.13467	53.4
415.14624	33.3
607.25757	6.2
640.09497	4.5
705.33228	14.4
735.89246	4.3
741.30933	100.0
742.31329	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	21.7
61.98839	3.7
71.01388	14.2
83.01398	3.2
85.02915	3.1
87.00856	3.1
88.41080	2.8
89.02448	11.0
95.04978	2.9
96.95999	6.5
97.02921	7.0
99.00812	4.2
101.02449	12.6
113.02432	5.5
119.03515	5.7
119.91180	2.4
121.52252	2.7
137.09709	3.3
137.77979	2.6
155.10764	4.9
162.47707	3.6
163.11243	6.8
179.05611	4.6
199.09769	6.6
209.11800	11.5
235.08144	4.2
245.19035	6.7
261.91064	2.7
268.03668	3.1
269.04471	5.9
289.18066	50.6
290.18402	3.6
307.19135	70.7
308.19586	6.9
330.88101	3.2
389.00894	3.9
397.13431	59.4
398.13812	5.6
408.93802	3.3
415.14557	38.9
435.57916	3.1
452.42877	2.6
607.25946	5.8
643.23846	4.8
687.32190	4.9
705.33429	12.0
706.33527	3.6
738.81860	3.4
741.31073	100.0
742.30902	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91600	0.1
59.01373	0.2
61.98829	100.0
62.11330	0.1
62.98528	0.1
73.04092	0.1
78.14348	0.1
81.10329	0.1
82.85652	0.1
84.02301	0.1
104.80043	0.1
111.85679	0.1
169.08275	0.1
652.61224	0.1
666.85150	0.1
679.50061	0.4
680.50354	1.0
740.49341	2.2
740.61292	0.1
741.49335	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82430	0.5
53.89060	0.4
55.79559	0.4
59.01378	1.3
61.98831	1.1
71.01382	11.4
71.38538	0.9
77.03996	1.9
82.35363	0.4
85.02975	0.7
85.69674	0.5
89.02467	0.5
89.04008	0.8
93.03471	1.3
93.24639	0.4
95.05042	3.5
96.96030	1.5
101.02425	0.5
102.27050	0.5
103.31091	0.4
103.34768	0.4
105.03458	13.6
106.04296	0.8
109.02959	2.3
111.00886	0.8
115.00368	10.7
121.02963	2.6
123.04548	1.9
133.02956	100.0
134.03780	18.7
135.04559	4.4
137.02443	14.0
138.02763	0.5
139.04008	3.9
147.60950	0.5
149.02422	0.8
150.03212	1.1
151.03979	0.5
161.61287	0.4
171.10281	0.6
177.01924	71.9
178.02698	33.1
179.03491	11.1
180.03758	0.7
187.03951	1.2
194.56027	0.4
199.09799	0.4
207.13887	0.6
209.11823	0.7
211.13358	11.1
212.13736	0.8
253.09337	1.8
255.03052	1.3
283.02444	1.0
283.13361	0.8
299.16376	0.6
301.14380	0.8
309.15030	2.4
327.15958	6.4
328.16446	0.5
345.16937	1.5
367.02289	0.5
399.03317	0.5
410.62567	0.5
447.22360	8.8
448.22696	0.8
488.09531	1.0
563.24854	3.8
564.24890	0.5
581.25995	18.0
582.26447	2.9
625.24963	53.0
626.25165	9.1
741.29236	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59443	0.1
59.01387	1.3
61.98833	100.0
62.98529	0.3
63.00380	0.1
64.31756	0.1
71.01387	0.5
71.26340	0.2
72.01730	0.2
73.02949	0.1
89.02470	0.4
101.02458	0.7
113.02470	0.2
151.90660	0.1
167.05363	0.1
167.36528	0.1
171.10345	0.3
183.13953	0.5
184.14320	0.4
197.11954	0.2
206.02493	0.2
209.11896	0.5
210.12192	0.2
211.13452	0.5
212.13748	0.3
227.12831	0.2
235.08299	0.2
252.23831	0.1
253.09415	0.3
279.23273	1.0
280.23688	1.2
281.24017	0.5
282.24194	0.2
291.19849	0.2
293.21313	0.4
294.21625	0.4
306.09000	0.1
309.20929	0.4
310.21411	0.2
397.13708	0.6
398.14069	0.9
399.13971	1.2
400.14499	0.9
415.15085	0.2
416.15036	0.2
417.15359	0.4
418.15237	0.2
431.61853	0.1
513.62537	0.2
558.77795	0.2
685.01990	0.2
740.43323	0.9
741.43719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	0.3
58.51968	0.3
59.01372	4.5
61.98825	2.5
64.22098	0.3
65.46957	0.3
71.01386	2.9
71.41763	0.3
73.02953	0.4
73.89697	0.3
79.71108	0.3
80.02687	0.7
81.03453	0.9
83.05023	3.8
84.02169	0.7
85.02950	0.8
86.75976	0.3
87.00869	0.6
89.02438	2.4
95.05012	0.7
96.95977	0.6
97.06573	0.4
99.00832	0.4
101.02438	2.5
106.81946	0.4
113.02444	1.4
120.59848	0.3
125.06071	0.6
135.08154	0.5
151.11330	0.5
161.04526	1.1
163.11296	3.3
165.12837	2.3
169.12357	2.2
179.14409	0.6
181.12302	0.5
185.11885	0.4
191.10706	0.6
195.13879	3.2
209.11816	100.0
210.12146	5.5
211.13428	1.0
223.13448	2.4
227.12872	10.7
228.13304	0.6
235.08223	3.4
253.09261	11.3
255.02908	2.0
275.20157	2.4
283.02515	1.9
284.03262	1.8
285.04037	4.5
286.04422	0.4
291.19632	0.6
293.21219	38.1
294.21558	4.0
297.18362	0.4
405.26175	0.5
414.77594	0.4
445.20981	2.3
446.08441	2.0
447.09219	2.7
485.32510	0.6
503.33685	0.8
577.24573	1.4
721.40778	0.3
739.42407	7.2
740.42322	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	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57909	0.4
55.01881	0.5
57.03434	0.9
59.01374	7.7
61.98829	3.4
68.32546	0.4
69.43873	2.7
70.09006	0.4
70.56293	0.5
71.01373	5.6
73.02939	1.4
77.91412	0.4
83.01379	0.6
85.02952	1.1
87.00883	1.5
89.02435	3.6
96.96010	0.6
97.02975	0.6
97.06622	0.6
101.02439	3.8
111.08184	1.2
113.02450	2.8
119.03549	0.8
125.42970	0.4
143.03430	0.6
161.04570	1.5
165.12840	6.0
179.14310	0.5
183.13889	100.0
184.14221	5.4
195.13922	3.2
200.78493	0.5
209.11795	3.6
211.13292	1.1
223.13374	2.7
227.12874	5.0
235.08228	3.1
253.09306	5.1
275.20093	3.2
293.21210	19.9
294.21622	1.4
309.20816	0.5
323.50278	0.4
358.41306	0.5
377.03784	0.4
419.22736	0.9
445.20697	1.0
463.21863	3.6
608.36047	0.5
739.42688	82.7
740.43030	18.1
768.26453	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.3
59.36808	0.3
61.98829	100.0
62.98530	1.1
62.99246	0.3
63.99255	0.9
71.01383	2.5
71.55358	0.3
72.99345	0.3
73.02930	0.5
75.00891	0.3
76.39163	0.3
80.02673	0.4
81.03455	0.8
83.05019	2.8
84.02163	0.4
85.02949	0.7
87.00929	0.4
89.02447	1.7
95.05029	0.5
96.96018	0.4
97.02959	0.3
97.06615	0.3
101.02422	1.9
111.08181	0.4
113.02457	0.8
138.73553	0.3
145.05042	0.3
161.04576	0.9
163.11246	2.2
165.12819	1.4
169.12291	0.4
174.56502	0.3
191.10883	0.7
193.03886	0.3
195.13910	2.7
199.13515	0.3
209.11813	61.1
210.12140	4.5
211.13417	1.5
223.13419	2.3
227.12866	7.4
228.13264	0.5
235.08255	1.8
235.26152	0.3
245.84152	0.3
253.09282	8.9
254.09604	0.3
255.02962	1.1
275.20120	2.6
276.20157	0.3
278.22385	0.3
283.02481	0.3
284.03293	2.5
285.04041	6.7
286.04190	0.6
291.19629	0.8
293.21216	32.8
294.21542	3.2
309.20618	0.4
359.25833	0.3
398.13300	0.3
399.13864	0.3
400.14362	0.3
426.53613	0.3
445.20605	0.7
446.08502	0.6
447.09183	3.8
448.09695	0.4
503.34155	0.3
573.75262	0.4
577.23932	1.4
605.48798	0.4
739.30353	0.6
739.42261	3.1
740.42346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58839	1.5
56.05727	1.4
57.03450	1.6
59.01105	2.4
59.01378	33.0
61.98817	6.1
71.01385	24.7
71.01788	2.5
71.24879	3.8
72.99303	1.4
73.02934	3.2
76.23127	1.3
78.95881	2.2
81.03451	2.0
83.01368	2.8
83.35275	1.4
85.02945	5.7
87.00871	5.3
89.02453	22.1
95.01366	2.4
97.02942	5.4
101.02435	18.8
113.02460	9.3
119.03507	6.5
125.02430	10.9
139.03889	1.7
143.03490	3.9
161.04567	5.3
163.30228	1.5
171.10278	2.1
177.27695	1.4
179.05557	3.9
207.10208	2.2
209.11919	3.4
225.11282	2.9
235.08214	11.9
253.09193	2.9
277.21722	3.3
281.24838	73.6
282.25177	5.5
287.07617	3.6
289.27115	1.5
293.21262	2.4
305.08636	3.8
323.09967	2.0
358.00119	1.5
397.13467	100.0
398.13812	9.0
415.14597	32.1
416.14957	2.8
424.72910	1.7
604.35651	1.7
679.38867	4.7
739.42004	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01153	0.3
59.01385	3.5
71.01369	1.4
71.05021	1.2
72.48122	0.3
75.55753	0.3
83.05013	0.5
89.02446	1.1
90.85107	0.3
95.18943	0.3
96.96003	0.5
101.02451	0.8
113.02448	0.4
119.03506	0.3
373.25961	1.7
377.28299	0.5
393.31833	0.3
419.28842	0.3
437.30536	4.2
438.30737	0.5
455.31451	2.5
456.31830	0.6
469.29712	0.8
499.30719	3.1
500.31009	0.6
517.31659	100.0
518.32007	17.7
559.32733	5.4
560.33093	1.0
589.33826	0.4
704.82611	0.4
739.33496	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.356
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70060	0.1
59.01372	0.8
59.15835	0.1
60.01684	0.1
61.98828	100.0
62.98531	0.2
70.45145	0.2
71.01386	0.5
73.02948	0.2
79.01917	0.1
87.00865	0.1
89.02434	0.4
97.02993	0.1
101.02468	0.4
102.02772	0.1
113.02480	0.1
119.03550	0.1
123.06655	0.1
125.02473	0.2
172.29532	0.1
207.10379	0.2
209.11855	0.1
211.13385	0.1
225.11363	0.2
226.11751	0.1
227.12834	0.4
235.08298	0.1
236.08595	0.1
253.09305	0.1
255.02983	0.1
277.21756	0.5
278.22104	0.7
279.22427	0.3
280.22812	0.1
283.02444	0.1
284.03226	0.1
293.21194	0.3
294.21548	0.1
397.13510	0.4
398.13849	0.4
399.14011	0.7
400.14154	0.5
415.14658	0.1
416.15125	0.2
417.15134	0.3
418.15378	0.2
436.45544	0.1
446.08435	0.1
486.32681	0.1
577.24744	0.1
641.34747	0.1
664.04596	0.1
738.41376	0.1
739.42914	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
57.03450	0.5
58.00594	1.3
59.01378	100.0
60.01716	1.1
61.98832	5.3
69.03457	1.0
71.01378	33.8
71.55249	0.5
72.99300	1.1
73.02943	40.5
74.03267	0.4
75.00877	0.9
79.95752	0.5
81.03469	0.5
83.01380	13.3
84.01743	0.5
85.02943	4.4
87.00896	1.1
88.14559	0.3
89.02436	8.0
95.01387	1.4
96.96006	16.8
97.02968	1.1
99.00914	0.6
101.02440	41.4
102.02792	1.0
111.00912	0.4
111.12846	0.4
113.02448	16.0
114.02798	0.4
119.03493	4.8
125.02461	2.1
127.68176	0.3
131.03496	5.2
133.01483	0.4
133.02931	0.4
143.03491	4.7
147.02991	0.5
149.04558	9.6
149.05693	0.6
151.04022	0.4
155.03581	1.4
161.04555	13.3
162.04904	0.4
179.05602	0.4
203.05524	2.3
209.11772	0.4
213.62642	0.4
221.06651	4.3
243.17239	0.3
325.12668	0.5
345.14801	0.3
369.15466	0.4
397.13440	0.5
415.14609	0.4
558.04907	0.4
634.06342	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96166	0.1
54.58387	0.1
56.75065	0.0
58.95184	0.1
59.01378	0.5
60.01726	0.1
61.98829	100.0
62.98533	0.1
71.01388	0.5
72.01731	0.1
73.02952	0.1
83.05065	0.1
85.02975	0.1
87.00916	0.1
89.02458	0.3
97.02970	0.1
101.02457	0.2
101.89944	0.1
112.97487	0.1
113.02424	0.1
125.02493	0.1
161.04469	0.1
163.11311	0.1
165.12889	0.1
206.03572	0.1
209.11815	1.6
211.13423	0.1
227.12955	0.1
229.06290	0.1
235.08302	0.1
236.08516	0.1
253.09320	0.2
275.20364	0.1
277.21790	0.3
278.22064	0.6
279.22409	0.2
280.22601	0.1
285.04190	0.2
293.21161	0.8
397.13657	0.3
398.13965	0.4
399.14023	0.8
400.14114	0.3
416.14981	0.2
417.15442	0.3
418.15369	0.2
430.30420	0.1
447.09589	0.1
563.07367	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	737.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19487	1.4
55.01866	2.2
57.01950	1.2
57.03438	2.3
58.00602	3.2
59.01381	75.2
60.01670	1.2
61.98829	6.9
69.03455	2.8
71.01385	54.9
71.54926	1.6
72.01709	2.3
72.99307	3.7
73.02946	12.3
75.00892	1.2
79.95755	1.3
80.96509	5.6
81.03440	2.0
83.01376	8.6
85.02948	24.9
87.00854	6.9
89.01933	1.6
89.02451	24.9
92.82948	1.2
95.01379	5.0
96.96004	1.8
97.02960	4.6
99.00881	4.4
101.02443	37.4
109.06503	1.3
111.00903	1.6
112.01627	1.1
113.02454	24.9
114.02722	1.2
115.03996	1.2
119.03511	8.7
125.02451	7.6
142.02794	1.2
143.03500	3.7
161.04562	4.5
179.05612	3.2
195.13939	5.9
223.13304	3.9
225.00615	1.5
235.08267	2.1
275.20197	3.7
293.21222	71.0
294.21640	6.2
303.34061	1.2
397.13528	18.1
400.02243	1.3
415.14597	20.0
416.14661	1.9
434.99319	1.3
471.33496	7.0
489.34381	6.8
535.01770	1.6
575.22858	2.2
633.38544	100.0
634.38776	17.3
651.39600	83.2
652.39752	12.5
691.35315	3.3
693.40594	34.2
694.40967	5.9
737.30560	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	737.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19487	1.4
55.01866	2.2
57.01950	1.2
57.03438	2.3
58.00602	3.2
59.01381	75.2
60.01670	1.2
61.98829	6.9
69.03455	2.8
71.01385	54.9
71.54926	1.6
72.01709	2.3
72.99307	3.7
73.02946	12.3
75.00892	1.2
79.95755	1.3
80.96509	5.6
81.03440	2.0
83.01376	8.6
85.02948	24.9
87.00854	6.9
89.01933	1.6
89.02451	24.9
92.82948	1.2
95.01379	5.0
96.96004	1.8
97.02960	4.6
99.00881	4.4
101.02443	37.4
109.06503	1.3
111.00903	1.6
112.01627	1.1
113.02454	24.9
114.02722	1.2
115.03996	1.2
119.03511	8.7
125.02451	7.6
142.02794	1.2
143.03500	3.7
161.04562	4.5
179.05612	3.2
195.13939	5.9
223.13304	3.9
225.00615	1.5
235.08267	2.1
275.20197	3.7
293.21222	71.0
294.21640	6.2
303.34061	1.2
397.13528	18.1
400.02243	1.3
415.14597	20.0
416.14661	1.9
434.99319	1.3
471.33496	7.0
489.34381	6.8
535.01770	1.6
575.22858	2.2
633.38544	100.0
634.38776	17.3
651.39600	83.2
652.39752	12.5
691.35315	3.3
693.40594	34.2
694.40967	5.9
737.30560	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	737.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	1.0
59.01381	33.3
61.98817	2.4
69.03451	2.1
71.01377	23.6
72.99315	1.7
73.02944	4.1
78.95898	1.7
81.03459	1.2
83.01392	3.2
85.02936	5.2
86.34503	0.8
87.00873	7.2
89.01936	1.5
89.02452	21.9
89.69614	0.9
95.01385	2.5
96.96011	1.3
97.02934	4.6
99.00886	1.5
101.02442	18.0
113.02452	10.3
113.47086	1.0
115.04012	1.2
119.03504	5.9
123.04496	0.9
125.02439	7.3
133.03314	0.9
143.03464	1.1
161.04535	4.6
179.05585	3.4
183.13943	2.0
211.13301	1.5
220.40950	1.0
221.06628	1.2
225.11482	1.3
235.08249	8.6
253.09242	2.0
277.09348	1.2
279.23279	75.5
280.23608	7.1
287.07581	2.7
291.19611	1.3
293.21185	3.0
305.08707	4.1
323.09665	1.3
397.13492	100.0
398.13882	8.0
415.14587	33.0
416.14905	2.9
496.29373	0.9
677.37598	3.7
737.41254	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00574	1.3
58.81415	0.9
59.01378	31.3
61.98829	2.2
69.03464	1.2
69.83775	5.1
71.01011	1.9
71.01383	26.0
72.99317	1.2
73.02955	3.1
77.75941	1.0
81.03430	1.5
83.01368	3.7
85.02934	5.4
87.00863	5.6
89.02445	21.8
91.04012	0.9
95.01373	1.7
96.96037	1.3
97.02926	5.7
98.20618	1.9
99.00876	1.7
101.02433	21.8
109.06580	2.7
111.04443	1.0
113.02443	8.6
119.03494	7.3
125.02431	8.3
136.24469	0.9
143.03474	3.2
161.04521	4.2
163.11247	2.2
171.10146	1.1
179.05548	5.2
207.10246	9.2
209.11790	1.5
221.06696	1.2
225.11259	4.6
235.08255	9.9
245.06862	1.1
250.59071	0.9
253.09418	4.7
263.07718	1.4
279.23276	83.4
280.23651	8.9
287.07635	3.9
293.21222	8.9
294.21722	1.6
297.12625	1.1
305.08755	3.5
338.42734	1.1
396.49606	1.0
397.13477	100.0
398.13770	8.0
415.14569	33.4
416.14755	3.0
461.20392	1.7
652.86047	1.3
677.37201	3.2
737.41150	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	735.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68565	0.3
53.35999	0.2
57.03434	0.6
57.70013	0.3
59.01376	4.7
61.98824	0.5
69.03461	1.8
69.46293	1.7
69.79728	0.2
71.01377	3.4
71.05019	0.7
73.02946	0.6
81.03461	0.3
83.01397	0.3
83.05032	0.5
85.02950	1.0
85.06596	0.5
86.04681	0.2
87.00872	0.5
89.02444	2.7
95.01412	0.4
95.05023	0.5
97.02939	0.3
101.02431	3.2
109.06623	0.7
111.08115	0.3
113.02441	1.8
119.03474	0.7
123.08154	0.3
124.54472	0.3
125.09727	0.4
141.09264	0.5
145.05092	0.4
149.09743	0.6
161.04558	1.8
167.10770	2.8
176.58568	0.3
177.12848	1.0
179.05589	0.8
179.10777	1.2
179.14383	3.3
195.13887	15.1
196.14357	0.9
205.12318	9.8
205.14294	0.3
206.12595	0.3
207.10292	0.2
209.11775	0.3
211.13422	0.3
213.95493	0.3
223.13379	100.0
224.13707	6.5
225.14917	0.9
228.13548	0.4
231.21284	0.4
235.08223	4.6
253.09277	15.2
254.09616	0.8
256.13043	0.6
274.35980	0.3
275.20154	4.7
276.20648	0.3
277.21533	0.3
293.21213	74.3
294.21539	6.8
297.17099	0.3
353.21198	0.3
441.21158	0.7
459.22336	13.7
460.22528	1.8
492.21732	0.4
499.34167	0.8
529.30182	1.5
618.09808	0.3
666.36353	0.3
735.43188	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.5784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91251	0.2
56.91892	0.1
59.01366	0.5
63.20666	0.2
69.43768	0.4
69.44188	0.8
108.71719	0.2
197.07030	0.2
277.21686	3.7
278.22055	0.5
375.97244	0.2
407.33136	0.8
455.35281	100.0
456.35632	16.7
577.11920	0.2
586.99475	0.2
600.21576	0.2
636.25793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83945	6.8
58.72686	7.1
59.01392	6.4
61.79090	6.3
61.98834	100.0
65.00387	6.2
69.60275	47.4
71.01395	8.1
78.95915	8.0
80.75297	6.4
86.76261	6.2
96.95973	14.4
112.84639	7.1
113.02494	6.2
171.10240	43.1
209.11815	13.8
235.08392	12.2
289.18015	18.7
293.21140	7.8
309.20657	22.9
309.89783	9.6
431.86456	8.2
496.29150	7.5
717.65881	7.9
735.37244	33.3
736.37152	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	733.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	0.5
59.01377	6.4
61.98828	0.8
62.74781	0.4
71.55973	0.5
75.00826	0.4
77.36356	0.5
78.91879	2.9
126.65131	0.5
150.70351	0.4
183.90211	0.4
186.25304	0.4
208.92715	0.4
272.84366	0.5
322.30289	0.4
357.16183	0.4
412.67722	0.5
427.14200	1.3
438.09827	1.6
441.15714	0.7
442.16623	2.6
443.16724	0.7
444.14160	0.5
452.11224	0.9
453.11957	1.8
454.09058	1.5
455.17252	8.1
456.17499	2.3
457.18829	14.4
458.19019	3.7
459.16745	0.9
467.13379	0.6
468.10770	1.7
469.11121	2.2
470.16025	1.5
473.18256	12.6
474.14691	4.1
475.15710	0.9
481.11786	1.4
482.12119	1.0
483.13330	1.4
485.18365	6.9
486.18353	1.6
488.17078	0.8
496.13654	8.4
497.14240	3.0
499.16574	0.9
501.17902	0.9
502.15149	1.4
503.08359	0.4
503.15280	0.6
510.15689	1.1
511.15851	11.1
512.13123	19.9
513.13562	6.9
513.21045	1.1
514.14001	0.6
516.17609	0.5
526.14923	14.5
527.15607	16.0
528.16229	5.1
529.17303	1.8
543.22327	0.8
555.18457	1.3
559.18829	0.8
560.15546	1.7
583.18286	11.4
584.18610	2.8
587.21558	0.5
597.20001	3.7
598.20288	1.3
599.21680	8.7
600.22076	2.4
613.19592	1.6
614.20123	100.0
615.20612	46.8
616.21143	5.7
629.22607	2.2
630.22687	1.2
645.22107	2.1
646.08777	0.8
646.19171	12.2
647.19464	3.1
673.21405	6.7
674.21704	1.7
733.23920	5.4
734.23547	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.0
57.03444	2.0
58.00587	1.6
59.01377	100.0
60.01720	1.2
61.98830	4.4
69.03457	1.0
70.69921	1.3
71.01382	30.8
71.09593	0.7
72.99303	1.3
73.02946	6.8
76.96807	0.6
81.69359	0.5
83.01407	2.3
85.02950	13.0
87.00900	2.4
89.02439	10.4
92.41707	0.6
95.01382	5.1
96.96024	3.4
97.02953	2.9
99.00886	3.0
101.02438	13.6
104.51607	0.6
111.00887	1.1
112.01688	1.2
113.02445	23.2
115.00365	0.6
115.04069	0.9
119.03499	3.1
124.01649	4.3
125.02435	5.8
131.03554	0.7
143.03511	5.1
159.02994	0.8
161.04515	2.9
179.05663	1.1
275.09384	1.1
295.06851	0.8
324.55447	0.6
381.23032	2.4
399.24094	2.2
477.24945	0.7
489.24503	0.9
507.26624	1.9
525.19061	1.1
525.27051	26.4
526.27374	4.0
543.28070	67.3
544.28400	12.0
554.10815	0.6
561.29114	22.0
562.29681	4.0
585.29089	13.4
586.30054	2.5
603.30231	21.4
604.30450	3.3
629.36133	2.5
645.32080	1.2
647.36957	1.0
681.77570	0.7
689.37646	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.31034	0.4
57.03443	0.7
59.01381	30.6
61.98831	3.3
62.18897	0.3
69.03443	0.6
69.32380	3.0
69.32717	0.5
71.01383	14.9
72.99290	0.6
73.02948	9.5
75.00850	0.5
76.37489	0.4
83.01395	2.8
85.02951	5.4
87.00880	1.1
88.98802	0.4
89.02444	5.3
95.01402	1.6
96.96010	1.5
97.02930	0.5
99.00874	1.1
101.02444	12.0
106.94614	0.3
111.04524	1.1
113.02458	7.2
117.03473	0.4
119.03508	2.0
131.03522	0.6
143.03491	0.5
149.02435	0.3
159.02922	0.4
161.04564	1.2
191.25774	0.3
201.92802	0.3
212.62354	0.4
213.11571	0.4
226.17801	0.3
269.04541	5.1
269.13928	0.3
270.04755	0.8
294.68457	0.4
301.21707	6.6
302.21994	0.9
463.26956	1.4
464.27243	0.5
481.28046	5.6
482.28040	1.0
505.28067	0.4
523.29114	100.0
524.29468	17.0
524.37488	0.8
547.28967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
57.03450	0.6
59.01379	100.0
60.01725	0.9
60.13880	0.3
61.98832	0.8
70.75848	0.9
71.01380	11.2
73.02949	3.4
75.00888	0.3
83.01400	1.2
83.48220	0.3
85.02955	5.3
87.00856	0.5
89.02430	2.0
95.01388	0.9
96.96039	0.8
97.02987	0.6
97.89812	0.3
99.00885	2.2
101.02445	6.5
113.02451	3.7
141.86369	0.3
143.03554	0.4
159.02979	0.9
161.04572	3.7
171.10394	0.4
211.13412	0.5
272.67108	0.3
315.18085	9.4
315.21628	0.5
316.18588	1.1
327.21732	3.0
328.22018	0.7
357.19168	3.7
358.19821	0.5
401.14139	0.6
420.29843	0.4
569.57843	0.3
730.33868	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01705	1.0
69.03445	0.8
71.01378	10.7
72.99298	0.6
73.02943	4.7
83.01388	1.6
85.02940	5.4
89.02433	5.7
89.30170	0.5
95.01397	1.5
96.96025	2.7
101.02444	10.0
113.02453	13.6
113.03262	0.7
115.00388	0.5
119.03497	3.0
131.03516	1.7
132.55011	0.5
133.01440	0.7
137.09741	2.3
143.03511	1.9
149.04552	4.0
150.64714	0.5
155.10771	27.6
156.11066	0.9
161.04547	7.0
179.05652	0.6
199.09746	41.6
200.10159	1.6
207.30751	0.5
221.06639	1.9
241.10916	1.1
318.01324	0.6
325.07056	1.5
325.12805	3.2
361.14972	5.4
362.15570	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
55.64138	0.3
57.03440	1.1
59.01380	21.9
61.98829	2.7
69.03464	0.4
70.50040	1.1
71.01381	11.4
72.99303	1.0
73.02949	4.4
78.95844	0.3
83.01385	2.7
85.02949	7.0
87.00874	1.1
89.02448	2.1
93.60814	0.3
95.01383	1.2
96.96019	1.5
97.02936	1.5
99.00865	1.6
101.02445	8.4
113.02451	4.9
115.00393	0.5
119.03504	0.6
125.02445	0.5
141.76207	0.3
143.03514	1.7
159.02957	0.4
161.04552	2.1
171.09943	0.3
191.74823	0.4
211.13376	0.4
259.61096	0.3
275.23892	0.4
319.22668	2.3
320.22980	0.5
320.67889	0.4
400.48212	0.4
419.28036	0.3
463.26837	4.0
464.26797	0.5
473.90497	0.4
481.28076	10.9
482.28394	1.5
505.28372	0.8
523.29102	100.0
524.29419	16.7
524.37500	0.7
547.29108	0.7
565.30096	0.5
725.09790	0.3
730.37671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07900	1.2
57.03435	3.3
58.00608	1.3
59.01379	36.8
61.98535	2.1
61.98828	27.9
69.03465	2.7
70.77863	1.9
70.78175	2.2
71.01378	21.3
72.99301	2.1
73.02946	8.4
75.00840	1.4
79.01874	1.3
79.80635	1.2
82.76481	1.5
83.01386	3.4
85.02951	15.1
89.02425	6.2
95.01383	4.8
95.52146	1.4
96.96004	6.5
97.02948	11.8
97.08418	1.2
99.00839	2.6
101.02433	14.2
112.01633	1.5
113.02446	14.2
114.97559	1.3
119.03529	2.5
121.02959	1.8
123.00917	2.8
133.01402	2.8
137.09718	6.7
141.01906	2.4
143.03499	3.4
151.54979	1.5
155.10768	82.9
156.11073	4.0
159.02998	1.4
161.04518	4.3
171.10362	1.6
199.09744	66.2
200.09985	1.7
211.13286	1.9
299.30530	1.4
301.21649	3.0
319.22726	14.5
320.23032	2.2
350.56461	1.6
361.15018	14.0
362.15335	3.3
463.27011	32.8
464.26953	4.8
481.28030	36.0
482.28369	4.2
523.29065	100.0
524.29401	17.4
567.20483	6.6
669.39587	2.0
729.25665	10.4
730.25531	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	729.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55397	0.4
53.65640	0.4
55.01876	0.6
59.01381	18.5
61.98812	1.8
71.01384	10.0
71.56286	0.4
72.99327	1.0
73.02943	3.3
74.12837	0.4
83.01395	1.7
83.17001	0.3
85.02959	3.0
87.00891	0.5
89.02447	5.0
95.01390	1.1
96.96027	2.4
98.72570	0.4
99.00917	0.7
101.02441	7.0
113.02455	3.0
119.03503	1.2
144.27448	0.3
150.46854	0.4
156.21657	0.4
165.43608	0.4
183.13910	1.0
227.12854	1.0
233.15448	0.5
301.21710	8.1
302.22006	0.8
303.23230	0.4
319.19382	0.5
319.22769	4.8
356.81540	0.4
463.27005	7.4
464.27341	1.3
481.28058	81.2
482.28397	13.0
495.29468	0.6
523.29102	100.0
524.29437	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	729.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.1
59.01377	15.2
61.98831	5.1
69.03453	0.7
71.01385	9.6
71.55486	0.5
72.99309	0.8
73.02953	3.0
83.01396	2.4
85.02950	7.2
86.00057	0.5
88.93385	0.5
89.02431	1.0
95.01380	0.9
96.96010	3.9
97.02967	1.2
99.00912	1.2
99.04513	1.6
99.75019	0.4
101.02453	5.9
107.67379	0.5
113.02454	5.1
121.02946	2.3
143.03497	1.2
148.69049	0.4
159.03009	0.5
161.04521	0.9
209.11702	0.5
217.15950	2.6
219.17467	0.6
233.11641	0.6
233.94736	0.5
259.36414	0.5
268.16754	0.5
292.17099	0.5
294.78772	0.5
301.21930	0.8
319.22745	11.3
320.23029	1.1
345.35361	0.6
388.47644	0.6
401.08707	0.8
403.24765	1.2
437.12564	0.9
463.26929	9.4
464.27222	1.3
481.28009	32.2
482.28265	4.4
504.88577	0.5
523.29077	100.0
524.29431	17.6
639.83606	0.5
668.50342	0.5
746.77948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14101	0.2
59.01374	1.7
62.59172	0.1
71.01379	0.5
71.54649	0.2
85.02956	0.1
87.00871	0.2
89.02444	0.3
93.03436	0.4
93.04459	0.1
94.82665	0.1
96.96001	0.4
99.00842	0.2
101.02428	0.3
109.02925	0.3
113.02455	0.4
117.56257	0.2
119.05021	93.4
120.05357	4.0
121.02877	0.1
133.01424	0.1
134.03702	0.1
135.04514	2.6
136.04865	0.3
141.09114	0.2
144.33438	0.2
150.05479	0.1
157.05373	0.2
158.06102	0.3
161.04602	0.2
163.03999	100.0
164.04330	4.2
179.03532	0.4
184.80927	0.2
185.02222	0.4
194.47809	0.1
200.99658	0.3
202.05284	0.2
203.09531	0.2
205.05055	0.2
209.11871	0.3
210.12067	0.2
215.09184	0.3
224.03200	0.4
224.33101	0.1
230.20242	0.2
257.10251	0.2
271.13156	0.2
293.12442	0.4
298.05240	0.2
305.08813	0.1
312.68512	0.1
325.09253	20.1
326.09576	1.6
341.08679	0.5
361.15085	0.3
377.06396	0.4
377.14566	0.4
382.11459	0.2
397.13577	0.2
403.16037	0.2
404.09543	0.5
513.60382	0.2
633.90979	0.2
730.20105	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
57.03442	0.9
58.00569	1.0
59.01379	20.4
59.16510	0.3
60.21367	0.4
62.76360	0.4
69.03439	0.7
69.36532	2.8
70.25883	0.4
71.01380	31.1
72.99304	1.6
72.99719	0.3
73.02944	4.5
75.00874	0.5
79.95729	0.6
83.01369	1.4
85.02950	4.4
87.00875	3.7
89.02445	18.5
93.03455	0.4
95.01363	1.1
96.96011	7.1
97.02935	0.8
99.00880	2.4
99.04513	5.5
101.01793	0.8
101.02440	12.4
111.00867	0.9
113.02444	4.4
115.00369	13.0
116.00750	0.4
119.03528	2.8
119.05015	3.9
125.02416	0.9
131.03496	9.8
132.05829	2.8
133.01404	0.9
134.03693	0.4
138.51845	0.3
141.01904	0.3
142.01907	0.4
143.03484	0.4
149.04546	2.9
161.04498	0.5
173.33374	0.3
191.05608	7.0
192.05936	0.4
199.11261	1.8
201.12840	0.8
201.21648	0.3
210.33755	0.5
215.61453	0.4
217.12315	7.9
218.12776	0.6
255.17525	0.4
268.03781	0.4
299.16467	0.5
301.15021	0.4
301.18130	2.3
317.17551	0.8
322.64926	0.4
379.17621	2.9
380.17831	0.5
431.09854	0.5
479.23105	0.5
501.15112	0.8
511.21835	4.0
523.02087	0.4
611.27045	100.0
612.27405	18.8
612.37433	0.8
727.28082	4.1
728.28955	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06236	0.2
54.23748	0.2
54.45705	0.2
57.03433	0.5
57.53256	0.2
58.00591	0.3
59.01378	29.6
60.01693	0.5
61.98829	1.3
69.03447	0.6
69.39011	1.9
71.01370	2.8
71.05006	0.6
72.99303	0.4
73.02950	0.5
79.36932	0.2
85.02951	1.6
87.00872	0.5
89.02444	1.8
93.03450	0.2
95.01352	0.3
96.96004	0.5
97.02957	0.6
97.06564	0.3
98.20674	0.4
99.00883	0.3
101.02441	2.2
112.12909	0.2
113.02438	1.0
118.98052	0.3
119.03488	1.0
125.02441	0.5
137.09700	0.3
155.10692	0.3
161.04465	0.4
171.10269	4.5
179.05597	0.4
183.13882	0.4
185.11844	0.4
197.11871	0.3
201.11349	0.3
209.11856	0.6
211.13416	1.9
221.06641	0.4
221.11813	0.3
225.11282	0.3
229.14377	1.9
230.14861	0.2
235.08255	0.4
247.46860	0.2
291.19650	0.7
309.20825	0.3
327.21762	19.3
328.22086	1.8
340.57809	0.3
369.90485	0.2
387.27988	0.3
397.13004	0.4
415.14542	5.3
416.14642	0.7
421.30988	0.7
439.31750	0.2
443.31668	0.8
453.29724	0.3
459.34763	0.5
466.99197	0.2
485.32718	7.5
486.32959	1.8
503.33749	100.0
504.34094	16.7
521.33215	0.4
525.94098	0.2
545.34857	0.8
568.48322	0.3
665.39111	1.7
666.39008	0.5
725.38300	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.36
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
57.03442	1.7
58.00591	0.5
59.01378	17.7
60.01699	0.2
61.98821	0.9
69.03457	1.7
69.29403	0.3
69.29807	1.8
71.01381	7.8
71.05027	0.2
72.99301	0.5
73.02950	1.5
81.03443	0.6
83.01385	1.0
83.05021	0.6
84.02143	0.5
85.02949	8.0
87.00877	1.6
89.02445	7.4
95.01381	0.5
95.05025	0.6
96.96004	4.7
97.02938	1.8
97.06600	2.5
98.95596	2.3
98.96181	0.3
98.96458	0.3
99.00874	0.4
99.92580	0.3
101.02443	6.1
101.03104	0.4
111.04523	0.4
113.02429	2.4
116.92854	1.2
119.03501	2.1
119.06348	0.3
119.08661	0.3
123.08170	0.3
125.02441	1.5
125.09715	1.0
127.07619	0.2
127.11275	1.4
131.03477	0.3
137.09724	1.7
143.03468	0.8
155.10771	1.0
155.14424	0.3
161.04581	1.2
165.12794	0.4
167.14397	0.4
171.10265	19.6
172.10617	0.8
177.12785	0.8
179.05563	2.0
183.13895	2.5
185.04530	0.3
185.11758	0.9
193.12318	0.8
195.06204	0.3
197.11829	0.4
199.13301	0.2
201.11305	1.0
203.10799	0.4
209.11819	1.2
211.13376	13.4
212.13683	0.9
221.06734	0.5
221.11806	2.8
222.11983	0.3
223.81310	0.3
229.14426	9.8
229.16740	0.5
230.14804	0.6
235.08221	1.3
239.12903	1.9
240.13080	0.2
247.20580	0.3
253.09262	0.5
257.13785	0.2
263.07739	0.4
273.18497	0.3
291.19653	2.9
309.20688	1.9
323.09821	0.4
327.21738	100.0
328.22083	9.0
397.13495	2.3
398.13879	0.4
415.14529	26.8
416.14838	1.3
453.29953	0.4
485.32721	2.2
503.33743	26.5
504.34088	4.0
545.28680	0.4
665.37946	1.9
666.38037	0.3
681.39240	1.3
683.38470	1.0
725.35907	6.5
726.36310	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
57.03445	2.1
58.00590	0.7
59.01380	12.9
61.10661	0.2
61.98827	1.3
69.03442	1.7
69.64312	1.2
71.01382	10.2
71.05019	0.4
72.99308	0.9
73.02950	1.7
78.95883	0.3
81.03445	0.3
83.01392	1.3
83.05006	0.4
85.02951	8.0
86.03285	0.4
87.00859	1.6
89.02444	8.2
93.03455	0.3
95.01382	0.6
95.05002	0.3
96.20924	0.3
96.96011	1.8
97.02938	2.3
97.06597	2.1
99.00874	0.8
101.02441	7.5
103.16405	0.3
108.74554	0.3
111.00848	0.3
111.08186	0.3
113.02452	3.9
115.00341	0.4
119.03516	2.0
119.08645	0.4
125.02423	1.4
125.09708	1.0
127.11267	1.2
131.03470	0.4
133.01515	0.3
135.89407	0.3
137.09712	1.7
138.10355	0.3
143.03485	0.9
155.10780	1.0
161.04582	1.6
165.12798	0.6
167.14325	0.4
171.10263	18.8
172.10612	1.0
177.12883	0.7
179.05582	2.6
181.12381	0.4
183.13922	2.5
185.11775	0.5
193.12343	0.6
195.06645	0.4
197.11826	0.5
199.13348	0.3
201.11313	1.1
203.10808	0.3
209.11830	1.0
211.13391	12.3
212.13727	0.8
221.06668	0.6
221.11819	2.6
222.12015	0.3
229.14424	10.5
230.14743	0.3
235.08202	1.2
239.12775	1.5
247.20833	0.4
253.09175	0.7
268.05460	0.3
291.19690	2.8
305.08231	0.3
309.20731	1.2
323.09793	0.6
327.21744	100.0
328.22070	9.2
339.35873	0.3
359.28271	0.4
397.13428	2.4
415.14566	26.6
416.14905	2.4
503.34232	2.5
504.33884	0.6
521.33478	0.5
545.29608	0.4
637.15912	0.9
665.37714	4.4
666.38025	0.9
681.39001	3.5
682.38849	0.4
683.38416	2.5
684.39026	0.4
725.36096	8.3
726.24451	0.3
726.36255	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	723.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02335	0.3
51.93257	0.3
55.01858	0.3
57.03445	0.9
59.01381	2.0
61.07096	0.3
61.98822	0.4
68.80965	0.3
69.03463	4.4
69.62884	2.0
70.04515	0.3
71.01385	0.9
71.05018	0.6
73.02935	0.5
78.95895	0.7
79.95731	4.1
81.97191	0.3
83.05023	1.0
84.02175	0.6
85.02951	1.0
85.06599	1.1
89.02422	0.7
94.05684	0.4
94.16631	0.3
95.01367	0.4
96.96013	100.0
97.02966	0.9
97.06581	0.3
97.95941	0.6
98.19891	0.5
98.95580	0.8
99.00892	1.4
99.01551	0.3
99.04535	0.3
101.02417	0.6
102.03435	0.3
109.06627	0.3
111.08176	0.8
113.06124	0.3
115.00373	0.5
115.07632	1.9
121.02976	0.5
123.04552	0.4
123.08169	0.6
125.02440	0.7
125.09744	0.7
131.07164	0.4
133.01392	0.8
137.02455	0.4
137.09724	0.4
137.39043	0.3
141.09209	0.7
141.12770	0.3
145.08678	0.7
152.07114	0.4
163.11253	0.6
167.03502	0.8
173.08269	0.3
179.03487	0.4
179.96616	0.4
181.12329	4.8
182.12633	0.4
185.00923	2.5
197.04510	0.4
202.56297	0.4
209.04469	1.6
209.11961	0.4
227.12901	1.9
239.05566	0.7
240.22575	0.3
245.13895	1.9
247.09576	0.3
266.31042	0.3
307.04584	2.8
307.13962	2.1
308.04947	0.5
329.08844	0.4
359.20822	0.4
361.22311	84.0
362.18289	0.6
362.22647	8.3
417.46417	0.5
417.51755	0.3
444.88052	0.3
445.15039	0.4
483.13300	0.6
543.14948	0.4
603.17438	0.5
705.20038	1.0
723.21802	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05622	0.2
59.01377	24.3
60.01688	0.3
61.98821	1.3
69.03426	0.2
70.44715	0.4
71.01389	1.7
71.05006	0.6
73.02933	0.5
79.95731	0.2
80.70171	0.2
80.96527	0.2
83.01417	0.2
83.04998	0.4
85.02936	0.5
87.00848	0.3
89.02464	1.2
93.03464	0.2
95.12656	0.2
96.96008	1.9
97.02940	0.4
99.00848	0.2
101.02442	1.3
109.06595	0.5
113.02426	0.6
115.00340	0.2
119.03488	0.9
121.02955	0.3
128.17847	0.2
131.39000	0.2
160.69128	0.2
161.04530	0.3
161.09825	0.2
163.11259	0.3
171.10249	1.0
181.12375	0.3
185.11742	0.3
201.11281	0.9
207.10222	0.6
209.11797	3.3
225.11305	0.7
227.12852	0.6
245.42766	0.2
253.09369	0.3
325.20142	0.9
367.26331	0.5
393.31619	0.3
397.13489	0.6
405.27380	0.2
415.14468	0.5
417.28165	0.3
419.29471	0.2
421.31232	1.2
441.30072	0.9
457.33182	0.5
483.31171	7.3
484.31305	1.1
501.32196	100.0
502.32559	17.7
543.33496	0.5
622.53375	0.2
649.90643	0.2
663.37598	1.1
664.37775	0.2
687.31390	0.2
705.32977	0.4
723.40820	1.4
724.39838	0.2
753.66864	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
55.63717	0.2
57.03444	0.7
58.00587	0.4
59.01377	100.0
60.01715	1.2
61.98825	0.3
69.03479	0.2
69.36363	1.7
71.01379	10.2
71.01778	0.5
71.05026	0.3
72.01720	0.2
72.99308	0.5
73.02946	4.8
75.00876	0.4
83.01376	2.4
85.02947	6.1
87.00878	0.5
89.02425	1.4
95.01398	0.8
96.96030	1.2
97.02969	0.5
98.20672	0.3
98.95590	0.3
99.00873	2.5
101.02438	11.5
102.02777	0.3
113.02444	5.1
114.02754	0.2
125.02376	0.3
129.01997	0.2
132.97186	0.2
135.04556	0.5
136.07660	0.3
141.09302	0.2
143.03470	0.5
159.02979	1.3
161.04549	5.1
162.04948	0.2
235.11862	19.4
236.12175	1.1
269.10248	1.9
277.12900	11.6
277.16010	0.3
278.13354	0.6
297.07745	0.2
312.06754	0.2
321.12030	0.4
321.15549	2.0
401.14484	12.8
402.14713	1.6
513.51166	0.3
723.21686	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51367	1.9
59.01375	14.0
67.83819	2.3
68.90062	2.1
71.55495	2.3
71.55907	3.3
78.95909	2.4
108.24593	1.9
157.90033	1.9
166.68796	1.8
176.38918	2.2
227.12860	5.3
253.09392	2.7
277.21716	3.2
512.13348	2.7
521.78076	2.4
526.15228	4.6
539.28406	2.3
539.36646	2.5
584.94147	2.3
613.19409	2.4
614.20221	10.6
687.24030	4.0
723.20776	100.0
724.20856	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15148	0.1
55.44347	0.1
59.01377	4.1
60.01714	0.4
61.01827	0.1
61.98828	100.0
62.98533	0.1
71.31906	0.1
71.32236	0.1
91.38298	0.1
91.99252	0.1
96.96030	0.1
143.67807	0.1
196.23392	0.1
279.23486	0.1
327.11249	0.1
498.14099	0.3
499.14389	0.5
500.14908	0.3
513.15955	0.4
514.16724	0.4
515.17657	0.2
516.18164	0.1
547.16663	0.2
570.19073	0.4
573.18732	0.2
574.18646	0.4
600.20831	0.1
601.21356	0.4
602.21588	1.3
605.16870	0.2
659.22296	0.2
660.22314	0.8
719.24207	0.3
720.23785	6.0
721.23083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
57.03440	3.9
58.00593	1.9
59.01379	54.9
61.98833	36.3
64.39987	0.9
65.79519	1.0
69.03445	1.4
69.48410	6.4
71.01382	49.0
71.05013	2.0
72.99308	3.4
73.02959	10.1
74.24416	0.8
75.00883	1.3
80.86881	0.9
81.03469	1.2
83.01392	6.6
85.02950	22.0
87.00879	3.3
89.02444	30.8
90.02778	0.9
95.01402	4.5
96.96010	9.7
97.02958	2.3
97.06579	1.1
99.00871	4.4
101.02441	34.5
105.84201	0.8
109.06578	2.3
109.20367	0.9
112.21717	0.9
113.02451	16.6
115.00385	1.1
119.03506	14.7
121.02912	1.4
125.02482	1.4
125.57516	0.9
131.03462	1.8
133.01433	0.9
143.03474	3.6
149.04616	1.2
151.07625	0.9
154.63667	0.9
159.03018	2.1
161.04558	13.7
163.11316	1.3
171.10237	4.7
179.05595	10.3
197.11862	1.7
199.13295	1.1
209.11826	8.9
211.13535	1.3
217.68172	1.1
225.11292	1.9
237.14825	1.1
247.08231	13.2
247.13454	1.3
253.09297	1.4
258.70468	0.8
265.14417	1.8
269.04514	1.0
272.58218	1.0
278.14600	1.0
287.16315	1.4
305.17670	3.8
323.18631	2.5
359.27896	2.1
397.13470	4.2
413.26968	23.6
413.32532	1.2
414.27264	2.9
415.14545	3.5
417.28104	1.3
425.30588	1.3
437.30490	6.7
455.31738	3.0
456.32065	1.5
469.29333	1.4
499.30252	2.6
500.30453	1.0
539.33856	1.5
599.35986	1.5
617.37079	12.4
618.37329	1.8
661.35901	100.0
662.25488	1.7
662.36310	22.7
663.28162	2.0
703.31763	2.2
721.36969	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	719.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
61.98815	0.3
71.01377	0.4
78.95906	0.4
79.95734	3.4
80.51209	0.1
85.02946	0.2
89.02457	0.1
96.96010	100.0
97.95942	0.4
99.59542	0.1
101.02452	0.1
113.02432	0.1
115.00372	0.2
126.35229	0.1
129.80316	0.1
133.01414	0.2
229.50096	0.1
230.53763	0.1
453.09290	0.1
458.04855	0.1
462.01291	0.1
497.27460	0.4
519.31769	0.2
521.33136	0.2
659.22906	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08320	10.6
55.43970	11.2
57.08499	10.5
58.29802	11.3
61.98825	63.2
67.49727	16.2
96.58868	12.1
103.16887	11.1
103.17629	13.3
116.92769	14.2
171.10254	100.0
222.93666	12.5
293.21140	56.8
294.18723	14.9
330.05869	14.4
333.81827	13.7
398.83566	12.5
415.36038	13.3
675.77319	16.0
719.37897	70.9
720.38483	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	719.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.0
60.22657	0.8
66.61500	0.9
68.47854	0.7
70.35629	0.9
70.35927	1.4
71.01382	6.1
85.02966	1.1
89.02444	7.8
101.02464	2.9
113.02464	2.2
119.03505	3.0
161.04556	1.4
179.05602	3.8
181.58737	0.7
197.02307	1.2
197.39571	0.8
215.03290	5.2
215.05118	0.8
278.83133	0.8
312.81339	1.0
341.10895	20.7
342.11206	1.6
377.08557	100.0
378.08832	6.8
605.17999	1.1
654.30579	0.9
697.76154	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84608	1.4
59.01377	24.3
60.99008	1.4
61.98813	4.3
92.51479	1.4
94.08654	1.2
97.19068	1.5
135.50565	1.4
166.40202	1.5
171.10229	1.3
193.01138	1.7
255.23239	1.6
327.21649	1.5
339.12094	1.4
454.92429	1.5
481.11612	3.9
482.11823	2.3
495.12894	2.5
496.14175	8.1
497.14606	7.0
511.16257	92.0
512.16528	20.2
539.15411	1.6
555.15289	4.5
556.15771	3.3
567.18695	1.8
570.17560	53.9
571.18152	27.8
572.18518	5.5
625.19403	14.1
626.19855	4.3
657.22058	25.0
658.22083	8.4
717.24127	100.0
718.24347	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74018	0.6
59.01376	5.3
59.80165	0.6
69.44206	5.1
69.44574	0.6
71.01383	5.4
73.99926	0.7
89.02451	6.6
101.02439	2.9
101.46501	0.6
101.66973	0.7
112.35114	0.7
113.02461	2.0
118.25307	0.7
119.03491	3.1
131.03413	0.7
143.03470	1.0
161.04559	1.2
179.05618	3.2
215.03268	4.4
218.19710	0.7
295.11124	0.7
341.10864	23.3
342.11139	1.6
377.08545	100.0
378.09015	7.4
421.91797	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76573	0.5
51.65285	0.6
59.01378	100.0
60.01729	1.2
60.74964	0.5
61.98828	24.9
66.22970	0.5
71.55246	0.7
95.58931	0.7
182.58069	0.5
186.19798	0.5
211.10025	0.5
371.17685	0.6
418.37836	0.5
441.15720	1.2
452.11514	1.3
453.11569	1.4
457.18759	1.7
459.16861	1.0
467.13403	2.2
480.14056	0.9
481.10504	2.6
495.12610	0.6
495.16776	1.9
496.13821	14.6
497.14551	9.6
498.15247	2.5
510.15271	4.4
511.16153	8.6
512.17230	3.4
513.17853	4.5
514.17334	0.8
523.15918	0.8
526.14850	0.6
530.14423	0.9
538.14685	0.7
539.20270	3.1
540.18994	1.2
544.16071	6.2
545.16498	1.7
551.15405	0.7
556.15710	0.7
567.18964	10.8
568.18933	2.2
570.17279	1.1
571.18427	8.7
572.18457	2.4
583.18396	1.8
589.19257	0.7
597.19629	1.9
598.20667	4.1
599.21448	33.1
600.21844	9.5
602.16394	1.8
603.15985	0.9
625.19702	1.1
630.19977	1.3
631.20020	1.3
643.19922	1.4
657.21967	15.7
658.22437	4.9
717.24133	88.8
718.24365	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	716.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26425	0.1
59.01376	1.1
61.98828	100.0
62.98531	0.2
67.78208	0.1
71.01374	0.5
72.92233	0.1
73.02967	0.1
74.02239	0.1
87.00904	0.1
89.02452	0.4
101.02416	0.5
110.62696	0.1
113.02471	0.2
157.99864	0.1
215.38287	0.1
235.08266	0.1
236.08466	0.1
246.76483	0.1
255.23248	0.6
256.23627	0.7
257.23962	0.3
281.61795	0.1
397.13586	0.3
398.13629	0.6
399.13934	1.1
400.14127	0.5
416.15024	0.2
417.15250	0.4
418.15500	0.2
599.21417	0.2
657.22058	0.1
717.24237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29329	1.3
59.01379	100.0
60.39590	1.1
61.98829	7.9
70.77481	1.7
70.77799	2.2
78.95895	1.5
82.93678	1.2
96.96051	1.4
149.76228	1.3
161.41217	1.3
165.14146	1.2
211.13454	1.8
334.18298	1.3
389.41373	1.3
442.19504	1.4
457.19073	1.9
480.14178	2.4
481.11563	2.8
496.13867	12.4
497.14481	5.1
510.15387	5.6
511.16083	8.9
512.16656	3.4
513.17914	2.8
523.15961	1.7
538.15063	1.5
539.19147	1.7
544.16168	2.3
567.19098	10.3
571.18164	7.5
597.19946	3.1
598.20825	2.5
599.21460	31.5
600.21539	5.3
602.16156	1.6
625.19781	2.0
657.21893	14.0
658.21930	2.4
717.24146	95.2
718.24445	27.2
718.36096	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	716.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19651	0.1
59.01381	0.3
61.98832	100.0
62.98526	0.2
69.38795	0.6
70.61668	0.1
71.01390	0.3
72.01730	0.1
73.02959	0.1
76.15211	0.1
85.02953	0.1
89.02470	0.3
96.96002	0.1
101.02464	0.2
101.50350	0.1
102.02821	0.1
113.02454	0.1
126.02830	0.1
138.55530	0.1
139.91652	0.1
236.08574	0.1
255.23361	0.4
256.23685	0.6
257.24094	0.2
258.24460	0.1
369.98526	0.1
397.13562	0.3
398.13898	0.4
399.14148	0.7
400.14340	0.4
401.14853	0.1
417.15332	0.2
418.15439	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	2.2
59.01379	39.7
71.01005	1.8
71.01379	25.9
71.54389	1.4
72.99300	2.1
73.02925	1.5
77.39556	1.1
82.86991	1.1
83.01394	1.6
85.02934	4.7
87.00886	1.7
89.02435	19.6
95.01376	2.3
95.28357	1.1
96.25964	1.5
96.95577	0.9
96.96008	10.5
98.95591	2.1
101.02447	17.2
106.06596	5.4
113.02451	9.7
119.03493	7.3
122.06082	3.9
127.14790	1.2
132.04524	3.1
133.01363	1.5
134.06125	36.9
134.32765	1.1
135.06380	1.6
138.05612	2.4
150.03168	3.9
150.05569	1.8
152.07187	9.0
158.02515	2.1
160.04005	1.8
164.07246	1.4
165.05568	2.6
190.05074	12.9
192.06641	7.0
195.06750	1.7
211.08733	1.1
213.10316	3.4
225.06493	2.0
225.10022	1.3
237.06662	1.4
237.10251	9.4
238.07167	1.8
239.08154	2.4
249.10234	1.6
251.08154	3.2
252.05336	1.3
253.09828	7.0
259.95743	1.2
263.08301	1.6
265.06253	5.9
265.09689	3.4
266.06876	9.9
267.07065	1.5
271.09869	1.2
278.06946	4.9
279.07849	2.1
280.08603	2.9
281.09290	54.0
282.09610	3.6
285.03973	1.9
291.07620	1.4
293.09332	30.8
294.09802	3.9
313.11957	11.2
314.12317	4.8
323.10529	2.5
329.13690	2.0
337.11713	2.8
338.12442	2.4
339.13205	3.1
356.09964	2.4
400.16788	1.5
428.16110	5.0
447.09283	2.3
477.19156	6.3
517.18427	6.1
518.18677	1.7
519.20050	6.1
525.21155	4.2
555.22205	2.3
580.22845	2.5
608.22461	66.2
609.23035	11.2
640.25122	26.1
641.25201	3.7
652.21326	14.8
672.27209	2.3
684.24023	100.0
685.13605	1.7
685.24463	19.0
698.24982	1.6
716.26569	48.9
717.27173	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	715.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54642	8.1
59.01367	34.1
61.98822	28.6
71.01396	19.2
71.55058	13.0
75.11201	8.2
89.02445	19.2
96.95982	12.6
101.02431	16.9
113.02435	10.5
255.23442	9.9
281.24814	34.9
282.25449	9.1
290.38504	8.3
304.61963	8.6
383.46170	8.3
386.97775	8.6
397.13599	100.0
415.14493	26.1
612.15356	9.8
715.36346	67.9
716.36810	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	715.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
56.83434	0.8
57.03438	3.1
58.00592	2.8
59.01377	100.0
60.01725	1.1
61.98819	4.7
69.03436	0.9
71.01380	53.4
71.15884	0.9
71.16212	0.7
72.01719	0.9
72.99313	2.9
73.02940	12.2
74.67126	0.8
81.03487	0.8
83.01382	5.7
85.02948	23.1
86.03298	1.0
87.00868	4.7
89.02442	28.6
95.01391	4.3
96.01801	0.9
96.96002	3.1
97.02968	1.8
99.00878	2.7
101.02435	27.9
102.02851	0.8
111.00873	1.1
112.01653	1.0
113.02448	32.3
115.00300	0.9
119.03507	10.8
121.02919	0.8
124.01656	2.1
124.22887	0.8
125.02424	4.0
129.01958	1.3
131.03467	1.2
141.01787	0.8
142.02693	1.1
143.03503	5.7
159.02904	1.3
161.04547	8.9
164.78651	0.8
165.02005	1.1
171.10246	1.8
179.05608	4.3
191.33932	0.8
200.34871	0.9
209.11571	0.8
211.13153	1.0
219.65445	0.9
238.41406	0.8
449.29010	2.5
467.30212	5.6
575.32233	1.5
611.34308	79.9
612.34625	18.9
629.35388	70.8
630.35699	16.0
671.36481	12.4
672.36859	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	714.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03504	8.2
58.67704	8.7
59.01379	100.0
65.69399	10.3
70.07385	34.2
71.01381	51.8
89.02463	63.9
101.02463	48.8
101.03056	8.6
113.02469	25.4
119.03495	40.1
121.00220	9.3
143.03540	12.2
149.75360	8.7
165.12990	9.7
179.05589	12.0
226.35823	9.9
345.07928	9.8
408.04602	10.3
534.48950	41.4
552.50342	17.0
714.55328	79.5
715.55798	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76065	3.0
53.60704	3.5
55.17198	3.4
56.87576	3.2
57.31760	3.5
59.01381	12.7
61.98830	30.3
71.01383	18.6
71.55193	6.2
73.02971	4.0
78.95909	12.4
87.00868	4.7
89.02450	12.1
96.95972	5.3
97.02972	4.4
101.02455	12.5
108.23643	3.5
113.02461	8.1
119.03476	4.1
125.02498	4.0
152.99548	6.9
179.05698	4.6
183.68724	4.3
235.08270	8.7
269.93649	3.7
277.21741	7.4
278.85242	3.8
279.23233	54.0
280.23499	4.0
350.50943	3.8
397.13507	100.0
398.13977	7.0
415.14618	25.7
415.19473	5.4
496.52521	4.3
593.27252	12.5
677.37451	12.3
713.35028	89.2
713.47400	4.9
714.35260	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	711.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07398	0.2
54.69255	0.2
59.01389	2.1
69.84502	1.3
71.01383	13.8
82.48005	0.2
87.00941	0.2
89.03983	0.9
96.96017	0.6
101.02421	0.3
106.04255	0.3
108.07185	0.3
115.00375	5.4
117.03471	4.2
118.03834	0.3
121.02978	0.3
133.01494	0.4
134.03743	51.4
135.03984	2.2
137.02428	1.1
149.06085	6.2
150.06465	0.3
152.58812	0.2
161.04509	0.3
178.02693	5.2
179.03059	0.3
193.05051	100.0
194.05374	5.0
208.97539	0.2
249.10399	0.2
309.06171	4.4
309.09763	0.5
310.06339	0.3
314.17844	0.2
711.25568	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69926	0.2
55.01877	0.6
57.03440	0.6
58.00590	0.8
59.01379	18.2
60.01702	0.2
61.31988	0.2
71.01380	9.6
72.99313	1.0
73.02952	1.4
83.01393	1.1
84.02182	0.4
85.02946	2.5
87.00890	0.8
89.02440	10.5
95.01373	0.6
96.11166	0.2
96.96011	1.6
99.00871	0.3
101.02443	7.8
106.58315	0.2
110.36893	0.2
111.08157	10.3
112.04069	0.3
112.08486	0.4
113.02444	3.9
119.03494	3.9
120.04575	0.5
121.05312	0.3
122.06119	0.7
123.03263	0.5
124.04003	0.3
131.03502	0.4
136.07669	3.6
137.06067	0.5
138.05608	4.3
139.07616	3.2
141.09213	0.5
143.03452	0.3
145.77660	0.2
149.04579	0.4
153.09187	0.9
155.07167	0.2
157.08693	34.7
158.09009	1.7
161.04530	0.4
171.10367	0.2
179.05589	0.3
182.04565	0.6
184.06160	0.8
199.09718	1.0
201.11348	0.2
249.86279	0.2
257.13016	1.5
301.11948	0.4
319.13959	100.0
320.14297	8.1
367.49203	0.2
393.17438	0.3
551.30853	0.4
611.45990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37767	0.4
59.01375	1.0
59.08240	0.4
59.90251	0.5
63.96239	1.7
64.38011	0.5
69.03453	0.5
69.20711	0.4
70.01665	1.9
71.01385	7.1
73.02937	1.2
75.01354	0.5
75.01760	0.6
78.98595	7.7
79.95738	12.0
80.96516	74.1
81.03429	0.8
85.02948	2.8
87.00870	2.5
94.98085	15.5
96.96006	1.6
97.02963	1.8
101.02434	2.6
104.05275	0.4
106.98077	3.0
114.08533	0.4
122.97579	4.1
125.02467	3.2
127.04008	0.7
134.97583	5.3
136.99130	1.4
140.67747	0.5
146.70103	0.5
148.99142	5.7
152.98643	5.5
153.35205	0.4
164.98628	12.2
167.00171	0.6
171.10252	1.4
196.71602	0.5
206.99718	3.4
225.00740	19.6
226.00963	0.5
255.23325	1.7
279.23230	0.7
298.19989	0.6
453.14316	2.4
537.27148	1.5
555.16882	0.6
649.41699	0.6
674.90527	0.6
709.38361	100.0
710.38647	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.0
57.03452	3.4
58.00591	1.9
59.01379	74.3
60.01720	0.5
61.98826	2.2
67.01881	0.5
69.03457	2.0
71.01382	51.9
71.05030	0.8
71.54933	0.4
72.01714	0.8
72.99314	4.2
73.02944	12.7
75.00877	0.9
78.95911	0.7
81.03461	1.5
82.95419	0.5
83.01391	10.0
85.02953	26.5
86.00101	0.7
87.00871	6.5
89.02443	22.6
95.01388	6.0
96.96017	3.2
97.02954	3.3
99.00881	5.2
101.02444	34.8
102.02784	0.8
109.02866	0.4
111.00889	4.2
112.01649	1.0
113.02448	22.9
114.02808	0.4
115.04032	0.6
116.92842	0.4
118.98171	0.4
119.03491	8.0
123.04504	0.4
124.01698	0.9
125.02441	6.4
129.01942	1.6
131.03511	0.5
139.04018	0.6
141.01967	1.0
143.03487	3.2
143.10789	4.1
149.04556	0.6
152.99632	0.4
159.03015	2.3
161.04553	4.3
163.14955	0.7
179.05576	1.9
185.00839	0.4
209.11845	1.1
211.13417	1.1
227.12878	0.4
253.09195	0.5
311.22244	0.6
313.27670	0.4
325.27722	0.4
343.28397	2.4
344.28763	0.4
447.22137	0.6
469.31946	0.5
487.32800	7.8
488.32492	0.6
505.33865	11.0
506.34103	2.4
509.29340	0.4
529.33368	0.5
547.34259	0.5
575.34680	0.6
601.35718	0.6
605.35529	1.2
613.35510	0.5
619.36926	0.5
649.37994	100.0
650.38330	18.7
650.49487	0.6
665.35815	0.7
667.39081	71.9
668.28033	0.4
668.39343	15.3
709.40179	25.1
709.79388	0.4
710.29749	0.5
710.40820	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	709.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10385	0.8
57.03443	1.7
58.00595	1.4
59.01376	23.3
61.54105	0.7
61.98819	3.4
69.03459	1.5
71.01378	19.5
71.56314	1.1
72.99287	1.2
73.02956	3.6
75.00867	1.1
77.12157	0.8
78.91891	0.9
78.95894	1.9
80.96471	1.0
81.03441	1.1
83.01398	1.6
83.05019	0.9
85.02937	4.7
87.00862	2.9
89.02439	15.5
95.01380	0.9
96.96008	2.4
97.02953	3.0
98.97343	0.8
99.00890	1.7
99.08144	1.4
101.02439	10.8
109.06583	0.9
111.08123	0.8
113.02438	7.2
113.09708	1.8
119.03493	4.6
125.02423	2.5
125.09690	1.1
127.09698	0.8
129.09221	1.3
137.09718	0.9
137.33115	0.7
139.11339	3.6
143.03487	2.1
153.12871	0.7
161.04539	3.4
165.12817	0.8
169.12335	1.3
171.10239	10.5
179.05623	2.7
181.12413	1.4
183.13855	0.8
193.12276	2.9
197.11858	2.3
199.13451	1.1
209.11737	4.5
211.13396	9.0
221.06598	1.0
235.08199	3.8
249.22157	1.3
253.09311	1.7
287.07797	1.2
293.21237	13.1
294.21503	1.2
305.08823	0.9
309.20654	0.9
311.22256	100.0
312.22623	9.2
397.13467	28.6
398.13785	2.6
415.14560	27.9
416.14954	2.5
447.22113	1.0
487.34402	1.2
627.27606	1.8
649.38214	1.1
665.35706	1.8
709.36578	2.4
730.88873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03434	1.1
57.11368	0.2
58.00582	0.9
58.14821	0.2
59.01379	19.1
61.98825	1.8
67.01869	0.3
69.03451	1.1
69.39782	1.5
69.40195	0.3
71.01379	15.0
71.05002	0.4
72.99318	1.4
73.02946	2.0
73.57887	0.2
75.00832	0.5
75.36207	0.3
77.61017	0.2
78.95886	0.7
81.03439	0.8
83.01371	1.9
83.05012	1.0
85.02949	3.8
86.00058	0.3
87.00879	3.0
89.02441	15.1
91.04029	0.3
95.01362	0.9
95.04982	0.3
96.95934	0.4
97.02946	3.1
97.06586	0.6
99.00862	0.8
99.08142	1.5
99.32853	0.2
101.02441	12.0
105.66685	0.2
109.02923	0.2
109.59389	0.2
111.00872	0.4
111.04523	0.3
111.08140	0.5
112.98542	0.3
113.02443	5.8
113.09747	1.6
119.03498	4.0
119.04918	0.3
121.02891	0.3
121.10207	0.7
125.02444	3.6
125.09700	0.6
127.07573	0.3
127.11266	0.5
129.01915	0.2
129.09215	1.2
131.03481	0.6
133.05026	0.4
137.09668	0.4
139.04041	0.4
139.11290	2.8
143.03476	2.0
149.04570	0.4
151.11292	0.3
152.99539	0.4
153.12784	0.3
161.04543	2.5
163.04001	0.3
163.11275	0.4
164.87679	0.2
165.12875	1.2
166.28238	0.2
167.03532	0.3
167.10742	0.5
167.14403	0.3
168.11568	0.3
169.12337	0.6
171.10266	9.7
172.10565	0.5
175.11269	0.3
177.12909	0.3
179.05611	3.4
181.12250	1.1
183.13901	0.9
185.04529	0.3
185.11801	0.8
191.14334	0.5
193.12318	4.2
194.12697	0.3
195.13905	0.3
197.11829	2.6
199.13329	1.0
209.11801	1.2
211.13380	7.4
212.13768	0.4
221.06644	1.1
227.12802	0.5
235.08176	3.3
237.19266	0.2
241.01129	0.3
249.22192	1.1
253.09264	1.4
259.17026	0.3
263.07700	0.3
275.20163	0.7
287.07745	1.0
291.19464	0.3
293.21204	14.0
294.21545	1.3
305.08841	1.2
309.20761	0.4
311.22260	100.0
312.22610	8.5
323.09839	0.7
379.12338	0.3
397.13477	33.6
398.13779	3.0
415.14542	29.4
416.14886	2.8
487.34161	1.0
505.34204	0.3
538.24487	0.2
627.27667	1.3
709.36481	3.6
710.36804	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96835	0.3
53.57691	0.3
54.22989	0.3
55.01873	0.6
57.03449	0.8
59.01375	100.0
60.01723	2.0
60.79879	0.3
61.01814	0.7
69.51398	2.4
71.01376	9.3
72.01756	0.4
72.99337	0.5
73.02940	3.4
83.01365	2.0
85.02955	4.3
87.00897	0.4
89.02438	3.2
95.01427	0.7
96.96018	1.1
99.00893	1.6
101.02430	10.4
113.02440	4.0
119.03512	0.7
125.02421	0.4
135.04541	0.7
143.03577	0.5
159.03041	1.1
160.18477	0.3
161.04553	3.8
179.60829	0.4
215.09303	0.4
235.11845	18.3
236.12279	1.5
237.12393	0.5
251.96222	0.3
277.12869	9.9
278.13406	1.6
297.55762	0.4
307.14023	0.7
321.11917	0.5
321.15402	4.3
322.16095	0.6
323.12332	0.5
387.16660	0.4
532.86176	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
57.03437	0.4
58.00602	1.2
59.01378	30.8
60.01685	0.5
61.16129	0.2
69.33092	1.8
71.01379	18.7
72.99315	1.6
73.02943	0.7
79.15445	0.2
82.88416	0.2
83.01386	0.8
85.02940	3.2
85.06581	0.3
87.00880	0.7
89.02443	18.3
92.00216	0.2
95.01374	1.4
96.11626	0.2
96.96011	7.8
99.97740	0.2
101.02437	12.6
102.02802	0.5
113.02443	6.7
113.09707	0.5
115.00336	0.4
119.03503	8.5
121.53705	0.2
131.03433	0.3
131.07147	0.4
134.03764	1.3
141.09216	5.9
142.09508	0.4
143.03496	0.8
149.04558	0.7
149.05927	0.3
155.24324	0.3
159.10274	2.1
168.18806	0.3
171.10262	0.5
179.05547	0.6
193.05067	2.2
196.51816	0.3
225.11438	0.5
244.30463	0.3
284.03229	0.5
299.05603	0.4
308.68073	0.2
311.05676	0.5
312.06287	1.4
321.15518	100.0
322.15845	7.4
327.08749	0.7
383.07803	0.9
397.13242	1.2
409.53070	0.3
413.08624	0.5
415.14453	0.4
461.10864	1.1
497.78796	0.3
503.11884	0.6
533.16272	0.2
623.16272	0.7
665.17102	2.0
666.17975	0.4
730.85101	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23291	0.4
53.75768	0.4
55.87645	0.4
58.58390	0.4
59.01379	100.0
60.01719	0.9
61.98833	4.0
66.55904	0.4
69.00178	0.4
71.17644	0.9
75.00871	0.5
78.95916	1.1
89.07192	0.4
92.67286	0.4
96.96015	0.8
98.77673	0.4
119.59924	0.5
150.06853	0.5
152.99605	1.0
182.51363	0.4
197.11833	0.6
230.56000	0.4
240.83833	0.4
263.14093	0.4
277.21799	1.7
279.23422	1.7
291.19592	0.5
309.20840	1.4
342.22150	1.0
350.71494	0.4
455.46335	0.5
557.36450	0.5
560.24579	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
57.03454	1.8
58.00575	1.0
59.01379	29.6
61.02789	0.3
67.01871	0.4
69.03449	3.2
69.31607	2.7
69.80109	0.4
71.01381	20.5
71.04967	0.4
72.99320	1.8
73.02949	3.0
79.15740	0.3
81.03454	1.2
83.01385	1.9
83.05009	0.8
85.02949	5.0
86.00092	0.4
87.00876	4.2
89.02443	21.5
91.04015	0.5
95.01365	1.4
95.05013	0.5
97.02951	11.6
97.06583	0.9
98.03294	0.6
98.19869	0.7
99.00877	1.5
101.02441	16.1
107.05014	0.4
109.02918	0.6
109.06591	0.5
111.00871	0.6
111.04504	0.9
111.08147	0.8
113.01714	0.7
113.02452	8.2
115.03973	0.5
119.03497	5.7
119.08660	0.8
121.02988	0.4
121.10338	0.4
123.00874	0.3
123.04543	1.0
124.01694	0.4
125.02454	4.8
125.09707	1.5
131.03488	1.1
132.76619	0.3
137.09732	2.0
139.03961	0.4
141.10287	0.4
141.12944	0.4
143.03523	2.5
149.04543	0.8
161.04536	3.5
163.11272	2.0
165.09224	0.4
165.12842	4.8
166.09964	0.4
169.04985	0.4
171.10265	5.5
179.05629	5.3
179.14409	1.1
181.12309	1.4
183.13947	1.3
185.04420	0.4
185.11676	0.4
191.14442	0.5
193.12279	1.2
193.15929	0.9
197.11806	3.3
207.10333	0.6
209.11835	2.7
210.12254	0.3
211.13406	2.0
217.07045	0.6
219.17374	0.4
221.06631	1.0
223.13364	0.7
225.11328	0.5
227.12901	3.1
235.06001	0.6
235.08206	5.4
245.06551	0.5
247.20593	3.4
253.09238	1.5
256.85251	0.4
263.07629	0.9
263.20245	0.4
265.21902	0.4
273.18555	1.5
274.19034	0.5
277.09235	0.4
286.44238	0.4
287.07681	1.4
291.19644	38.3
292.20035	3.8
305.08704	1.7
309.20691	100.0
310.20987	9.0
323.09650	1.1
379.12372	0.6
397.13486	43.9
398.13818	4.1
415.14563	37.2
416.14899	3.7
444.30826	0.4
474.40851	0.4
495.04727	0.4
707.35052	2.8
708.35645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03434	1.4
58.00605	1.6
59.01377	26.3
60.83987	0.3
61.98827	0.9
67.01873	0.4
69.03448	2.1
71.00517	0.6
71.01380	17.8
72.99306	1.7
73.02946	2.6
81.03453	1.2
83.01376	1.8
83.05035	0.4
85.02956	3.9
87.00866	4.1
89.02444	18.0
91.04010	0.4
93.03461	0.3
95.01379	1.0
95.04995	0.6
97.02947	6.3
97.06584	0.9
97.15390	0.3
99.00874	1.4
101.02440	13.3
109.06576	0.6
111.04496	0.6
111.08160	5.3
113.01711	0.5
113.02446	6.5
115.93929	0.3
119.03498	5.5
123.04473	0.5
123.08105	0.3
125.02443	4.6
125.09713	1.0
127.07644	0.4
127.11284	0.4
131.03508	1.2
135.08231	0.4
137.09700	1.4
139.04042	0.5
141.09161	0.5
141.12794	0.4
143.03525	2.6
149.04507	0.4
151.11246	0.4
153.12883	0.8
161.04552	3.4
163.11284	1.4
165.12822	2.7
169.12329	1.7
171.10301	3.4
179.05600	4.3
179.14381	0.7
181.12354	0.7
183.13841	1.3
185.04602	0.3
185.11790	0.3
193.12347	1.6
193.16025	0.5
197.11818	23.5
198.12224	1.6
199.13370	1.6
207.10223	1.0
209.11780	2.1
211.13356	4.3
219.84338	0.3
221.06653	1.2
223.13330	0.5
225.11317	0.5
227.12828	2.8
235.08215	4.4
247.20558	2.4
249.14912	0.8
253.09300	1.4
262.22940	0.4
263.07706	0.8
263.20169	1.3
265.18066	0.7
273.18661	1.2
274.18942	0.4
277.09113	0.4
287.07748	1.0
291.19644	25.5
292.20035	3.2
305.08838	0.8
309.20688	100.0
310.21014	11.2
323.09726	0.7
351.21933	0.4
364.57907	0.3
397.13474	33.6
398.13858	3.1
415.14548	37.7
416.14954	3.1
512.76648	0.3
647.29547	0.5
707.35089	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	707.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45241	0.3
52.29183	0.3
55.01860	0.8
57.03449	1.9
58.00587	1.5
59.01377	31.2
60.01694	0.4
61.98283	0.4
69.03447	3.6
71.00357	0.7
71.01379	23.0
71.05008	0.3
72.99300	1.6
73.02944	3.5
75.00848	0.5
79.92772	0.3
81.03451	1.7
83.01385	2.1
83.05009	1.0
85.02953	4.5
87.00874	4.4
89.02443	23.2
90.02753	0.5
95.01366	1.5
95.05032	0.6
97.02946	11.1
97.06586	0.8
99.00863	0.8
101.02440	16.9
107.05020	0.4
109.00574	0.3
109.02933	0.4
109.06590	1.0
111.04501	0.6
111.08156	2.8
112.08475	0.4
113.02452	8.4
115.03997	0.4
119.03497	6.8
119.08681	0.6
123.04503	0.5
123.08150	0.8
125.02454	6.1
125.09711	1.2
127.07687	0.5
131.03493	1.0
133.05106	0.6
137.09731	2.0
139.11249	0.4
141.01930	0.4
143.03510	3.0
149.04533	0.8
151.11284	0.4
153.12827	0.6
158.92731	0.3
161.04546	3.9
163.11284	2.1
165.12823	4.8
166.10023	0.4
169.04996	0.6
169.12326	1.1
171.10255	5.8
179.05624	4.7
179.14418	0.8
181.12334	2.1
183.13904	1.1
185.04498	0.4
191.14439	0.4
193.12384	1.0
193.15981	0.9
197.11815	13.8
198.12029	0.8
199.06073	0.5
199.13383	1.0
207.10258	1.6
209.11829	3.6
210.12225	0.6
211.13397	3.4
212.13684	0.4
217.15918	0.6
221.06693	1.6
223.13368	1.2
225.11263	1.1
227.12898	3.4
235.08189	6.1
239.12849	0.5
247.20644	4.0
248.20946	0.5
253.09279	2.1
263.07761	0.8
263.20212	1.0
265.18463	0.5
273.18594	1.7
277.09277	0.8
287.07718	1.2
291.19638	36.0
292.20044	4.2
305.08777	1.8
309.20688	100.0
310.21017	13.1
323.09830	1.0
346.56693	0.3
397.13464	42.0
398.13824	4.8
415.14548	36.9
416.14902	3.2
690.34729	0.4
707.34827	3.3
708.36060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03440	0.5
58.00595	0.4
59.01375	100.0
60.01717	1.1
61.98856	0.3
69.39480	1.7
71.01375	10.0
72.99304	0.3
73.02951	3.6
75.00868	0.3
83.01385	2.2
85.02943	4.9
87.00901	0.5
89.02439	5.8
95.01402	0.9
96.95998	2.0
98.19890	0.4
99.00873	1.7
101.02437	11.2
108.21204	0.2
111.00904	0.3
111.81673	0.2
113.02451	5.1
113.03246	0.3
119.03487	2.4
124.35022	0.2
125.02494	0.4
129.01993	0.4
135.04405	0.2
138.05688	0.2
141.09213	0.4
143.03510	0.8
149.04509	0.3
153.09216	0.5
159.03011	0.9
161.04538	3.7
179.05582	2.2
179.06772	0.2
235.11842	17.8
236.12329	0.9
277.12888	12.1
278.13239	0.6
319.13904	0.2
321.11899	0.6
321.15463	6.5
322.15726	0.2
405.78873	0.2
480.99915	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.7
61.84911	0.7
61.98829	0.7
71.01380	3.6
71.55854	1.0
74.02486	0.8
79.95740	1.1
84.04540	0.8
85.02966	0.8
93.03435	0.5
94.02963	0.9
95.05035	0.9
96.96008	23.8
97.54001	0.5
101.02456	1.0
108.04552	0.8
112.04047	10.2
113.02436	0.8
120.04536	9.0
121.05341	11.0
122.06131	19.7
123.03262	10.9
124.04045	10.9
126.02003	1.0
134.06133	1.8
136.05376	2.0
136.07675	96.5
137.06075	13.8
137.08070	3.1
138.01979	1.6
138.05603	100.0
139.05905	3.7
140.07175	3.3
150.05573	3.2
161.04584	0.6
163.06401	0.9
166.05029	1.3
169.87410	0.6
182.04579	13.8
183.05280	2.8
184.06137	23.5
185.06543	0.8
214.12315	2.2
215.04414	1.0
225.11360	1.2
242.10605	1.8
243.12383	0.9
257.12927	40.3
258.10992	3.8
258.13373	2.1
275.13983	9.4
276.14099	0.8
301.11880	7.3
302.10312	1.2
319.12967	25.5
320.13367	2.4
418.42984	0.7
463.21912	0.9
707.33618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89901	0.2
55.01876	0.8
57.03443	0.6
58.00586	0.4
59.01379	100.0
60.01719	0.9
61.98839	1.1
69.03467	0.3
71.01379	9.9
71.05055	0.3
71.54508	0.3
72.99313	0.7
73.02946	3.4
77.75822	0.2
78.03950	0.2
83.01392	1.6
85.02946	4.7
86.03322	0.2
87.00863	0.5
89.02444	5.6
95.01405	0.8
96.96008	3.5
97.02991	0.2
99.00893	1.3
101.02441	11.7
102.02813	0.3
111.00871	0.3
113.02447	4.4
114.02776	0.2
119.03495	2.0
119.86086	0.2
121.02911	0.3
125.02458	0.3
129.01953	0.4
131.03468	0.3
135.04572	0.2
139.04027	0.3
141.09242	0.5
143.03534	0.7
149.04515	0.2
153.09206	0.4
159.03001	0.7
159.10269	0.2
161.04565	4.4
179.05603	2.1
223.13489	0.2
235.11859	17.2
236.12157	1.0
277.12903	12.8
277.16019	0.4
278.13367	0.9
319.13992	0.3
321.12024	0.6
321.15500	6.7
322.16064	0.4
385.18845	0.5
524.96509	0.3
625.16772	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08263	0.8
54.06359	0.6
55.01858	0.7
57.03437	1.2
59.01377	17.8
61.16599	0.7
61.98815	2.7
69.03442	1.7
71.01378	14.7
71.05017	0.6
71.30128	0.8
73.02930	2.4
78.95891	0.8
79.95728	1.5
81.85718	0.8
83.01373	2.1
85.02950	7.0
87.00869	1.7
89.02432	5.6
96.96007	36.7
97.02936	2.0
99.00874	2.5
99.04530	0.8
101.02443	12.0
111.00873	0.9
113.02431	6.1
115.00348	1.9
115.29049	0.7
116.97249	1.5
119.03483	2.8
125.09698	0.8
133.01413	3.0
134.03726	0.9
135.04475	0.9
137.09700	1.3
141.01781	2.5
143.03419	1.1
155.10736	6.2
156.15634	0.8
159.02998	0.8
161.04463	1.5
163.11238	0.8
171.10269	4.7
175.44971	0.8
178.70973	0.7
179.03403	0.8
181.12341	1.3
185.00830	0.9
185.11920	0.7
199.09756	4.9
201.11293	1.7
207.10254	2.8
214.00975	0.9
225.11359	4.5
227.12880	0.8
243.12318	0.9
253.09067	1.4
255.02888	0.8
275.07336	1.1
289.18051	3.6
299.01959	2.8
300.02432	0.8
327.21735	1.0
343.14001	1.1
345.30197	1.0
397.13559	1.4
507.35397	1.4
543.24445	2.9
563.30286	0.7
581.14465	0.8
601.32050	2.7
602.33209	0.8
608.13464	2.0
619.33289	2.6
645.34576	1.4
661.36365	3.3
667.39130	0.9
669.40637	100.0
670.40991	18.7
687.32043	1.4
705.38391	41.9
706.38721	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	705.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
57.03431	0.9
58.00574	1.0
59.01378	22.0
60.01712	0.3
61.98535	0.4
61.98829	6.0
65.03965	0.4
68.99819	0.3
69.03445	1.6
71.01380	16.0
71.05016	2.5
72.99284	1.2
73.02941	2.6
75.00861	0.5
79.95760	0.2
80.02655	0.6
81.03448	2.0
83.01397	1.6
83.05020	0.8
85.02948	3.8
87.00877	3.4
89.02438	18.3
90.02805	0.2
93.03477	0.3
95.01366	1.2
95.05033	1.3
96.96004	4.3
97.02945	2.6
97.06561	0.6
98.03731	0.9
99.00870	1.2
100.47098	0.2
101.02439	14.0
106.04218	0.5
107.05019	0.5
109.02958	0.4
109.06587	10.4
111.00861	0.4
111.04515	3.6
111.08136	1.4
112.05309	0.3
113.02448	6.5
119.03495	5.4
119.08707	0.4
121.06562	0.5
122.02471	1.5
123.04534	0.5
123.08157	1.7
125.02439	4.7
125.09736	0.5
127.07629	1.4
131.03482	0.9
133.05081	0.4
135.04518	0.2
135.08131	0.5
135.11832	0.3
137.09683	1.1
139.04021	0.5
141.01860	0.7
143.03482	2.7
143.10735	0.9
144.03769	0.3
145.06575	1.8
149.04550	0.8
149.06015	0.4
149.09732	1.4
150.82263	0.3
150.83487	0.3
151.11261	0.9
155.10754	0.3
161.04556	2.8
161.09827	0.3
163.11226	0.5
167.03589	0.2
167.10756	1.9
169.12326	0.3
171.10233	0.5
177.12865	0.6
179.05595	4.3
179.10741	0.9
181.12332	0.8
185.00858	0.5
185.04480	0.3
185.11790	0.4
191.14481	0.6
195.13911	2.5
197.11816	0.4
207.10313	0.2
209.11786	0.8
211.13557	0.3
221.06580	1.2
233.15324	0.3
235.08209	4.7
235.13332	1.1
236.08649	0.3
245.06638	0.3
245.13902	0.7
245.19086	4.7
246.19287	0.6
249.14848	0.3
251.16574	0.7
253.09267	1.5
261.18570	0.4
263.07639	0.6
271.16962	1.3
273.14920	0.6
287.07806	1.2
287.16431	1.6
289.18076	100.0
290.18436	8.9
290.21570	0.6
305.08722	1.2
307.19138	8.6
308.19492	0.7
323.09857	0.8
325.82803	0.3
397.13477	33.6
398.13843	2.4
415.14542	23.3
416.14767	1.7
482.28693	0.3
483.28784	0.9
501.31824	0.3
519.31915	0.5
646.05463	0.3
669.40607	0.3
687.32361	1.7
688.32483	0.6
705.33887	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
57.03429	0.8
58.00575	1.0
59.01379	23.4
60.01694	0.3
61.98812	0.4
62.65908	0.2
69.03439	1.1
71.01381	15.9
71.05025	2.3
71.43210	0.2
72.99304	1.4
73.02615	0.3
73.02946	3.2
80.02652	1.0
81.03450	1.6
83.01377	1.8
83.05012	0.8
85.02943	3.7
87.00866	3.6
89.02444	18.3
91.03976	0.3
93.03421	0.3
95.01395	1.1
95.05022	1.5
96.95994	0.6
97.02950	2.5
97.06597	0.4
98.03722	0.7
98.19859	0.5
99.00859	0.9
99.08167	0.3
101.02442	13.1
102.02757	0.4
102.61263	0.3
106.04251	0.7
107.05025	0.4
109.02969	0.4
109.06588	8.9
110.06988	0.2
111.00870	0.5
111.04510	3.8
111.08134	1.0
113.01720	0.4
113.02448	5.8
115.03991	0.4
119.03503	5.1
119.04951	0.3
121.02876	0.2
121.06595	0.4
123.04510	0.3
123.08134	1.4
125.02458	4.3
127.03965	0.2
127.07668	1.9
131.03499	0.8
131.04970	0.3
133.05128	0.3
135.04445	0.3
135.08118	0.6
137.06055	0.3
137.09694	0.8
139.04025	0.3
141.01848	0.4
143.03502	2.5
143.10744	1.0
145.06612	1.7
149.04530	0.8
149.06062	0.4
149.09698	1.2
151.11252	0.8
161.04576	3.4
163.11261	0.5
167.03572	0.4
167.10745	1.9
169.12337	0.3
171.10278	0.4
177.09219	0.3
177.12814	0.5
179.05623	4.0
179.10748	1.1
181.12323	0.3
181.80942	0.3
185.04515	0.3
191.14406	0.8
195.13904	2.3
199.06221	0.4
215.14346	0.6
217.07123	0.4
221.06638	1.1
235.08235	4.4
235.13448	0.7
241.10677	0.3
245.19084	5.0
246.19406	0.7
247.16946	0.3
251.16478	0.7
252.93515	0.3
253.09265	1.3
261.18695	0.4
263.07712	0.5
271.17084	1.5
273.14883	0.5
277.09268	0.6
287.07736	0.9
287.16498	1.7
289.18079	100.0
290.18439	9.5
290.23502	0.3
291.19742	0.2
305.08743	1.0
307.19153	7.8
308.19412	0.8
323.09799	0.9
345.49985	0.3
379.12265	0.3
397.13495	34.7
398.13840	3.2
399.85748	0.3
415.14554	24.5
416.14978	1.9
416.30127	0.3
501.32370	1.5
631.27203	0.2
637.94318	0.3
687.32483	1.1
705.38062	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79164	0.3
55.01859	1.3
55.55882	0.4
57.03450	3.3
58.00598	2.2
59.01382	43.9
61.98813	1.7
67.01890	0.8
68.99815	0.7
69.03461	3.5
71.01385	35.7
71.05027	0.6
72.99310	3.4
73.02946	5.2
75.00865	1.0
80.02676	0.9
81.03455	3.5
83.01396	6.0
83.05022	2.6
85.02950	8.0
87.00885	8.4
89.02447	36.5
90.02768	0.5
91.04006	0.6
93.03468	1.0
95.01388	3.0
95.05035	2.3
96.95994	0.8
97.02954	8.0
97.06590	6.9
99.00880	2.4
99.04498	0.6
101.02444	30.0
102.02790	0.8
103.03998	0.5
106.04217	0.5
107.05050	0.5
108.02118	0.5
109.02937	0.8
109.06585	2.1
111.00884	0.9
111.04509	1.7
111.08147	1.3
113.02448	14.8
113.06027	0.4
115.03990	0.7
119.03506	12.2
119.08627	0.6
121.02937	0.7
121.06580	1.2
123.04530	3.6
123.08151	1.7
125.02447	9.8
125.06069	0.5
125.09722	5.9
126.09980	0.4
127.07651	0.6
131.03493	1.5
133.05072	0.9
135.04469	0.5
135.08112	1.3
136.05269	0.5
137.02400	0.8
137.06076	0.8
137.09721	3.7
139.04063	0.5
141.01877	1.2
141.12862	1.1
142.02721	0.5
143.03500	4.7
147.08076	0.7
147.11732	0.4
148.04147	0.5
148.08955	0.5
149.04543	1.3
149.06085	1.1
149.09669	0.7
151.11276	2.5
155.10773	0.7
159.03014	0.6
161.04558	5.8
161.09698	0.5
163.07616	0.6
163.11295	9.1
164.11555	0.4
165.09178	0.7
165.12839	4.2
167.03455	0.9
167.10756	1.0
171.10274	1.6
175.11234	0.7
177.12862	1.0
179.05621	8.3
179.10754	1.5
180.05885	0.6
181.12341	3.8
183.13855	1.8
185.04555	0.8
185.11816	6.6
186.12144	0.4
189.12785	0.5
191.10780	2.4
191.14424	7.9
197.11829	1.1
202.13533	0.5
205.12241	0.5
207.10298	5.2
209.11830	27.1
210.12204	1.8
211.13368	4.4
212.13818	0.5
217.07175	0.9
217.15945	1.3
219.05028	0.5
221.06680	1.9
225.11298	5.0
226.11810	0.5
227.12854	4.1
227.17941	0.5
235.08228	8.9
236.08565	0.8
237.11340	5.3
238.11864	0.6
241.10699	0.4
243.17551	0.9
245.06784	0.6
245.19101	17.1
246.19412	1.4
247.17015	0.4
249.15012	0.7
251.13054	0.7
253.09329	3.3
261.18576	0.7
263.07581	2.0
263.20157	6.1
264.20459	0.6
265.18030	0.6
271.16928	2.4
277.09470	0.4
279.19800	0.6
281.21191	1.7
287.07764	1.8
289.18094	72.1
290.18442	6.1
300.70862	0.4
305.08792	2.2
307.19153	100.0
308.19498	9.0
309.20801	0.5
323.09869	1.4
325.20248	1.4
361.11090	0.4
379.12436	1.0
397.13501	47.8
398.13809	4.9
415.14560	42.3
415.20700	0.5
416.14954	3.7
457.27994	0.4
530.64752	0.4
546.39832	0.4
607.26050	7.6
608.26373	1.3
673.34833	0.5
687.32684	1.7
705.33350	10.6
706.33215	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11507	0.3
51.55934	0.3
55.01866	1.4
57.03447	3.6
58.00597	2.4
59.01378	45.1
60.01702	0.5
61.98840	0.7
64.43900	0.3
65.98744	0.3
67.01902	0.9
68.99834	0.5
69.03455	3.1
69.28419	0.9
69.28825	1.6
71.01380	37.0
71.05006	0.6
72.01734	0.4
72.99308	3.3
73.02948	6.1
75.00871	0.9
80.02692	1.0
80.13044	0.3
81.03450	4.1
83.01391	6.6
83.05027	2.4
84.02176	0.6
85.02951	7.3
87.00874	8.1
87.01377	0.6
87.04499	0.5
88.98775	0.4
89.02443	38.5
90.02782	0.4
91.04029	0.8
93.03461	0.9
95.01385	2.1
95.05025	2.3
97.02949	8.9
97.06584	5.3
98.19840	0.5
99.00885	2.5
99.04518	0.9
101.02441	29.8
102.02807	0.9
106.04266	0.7
107.05045	0.5
109.02956	1.1
109.06590	2.2
110.03735	0.9
111.00871	0.7
111.04541	1.3
111.08167	0.4
113.02446	14.4
113.06088	0.5
115.04022	0.8
119.03500	11.6
119.04910	0.5
119.08684	1.1
121.02980	0.5
121.06617	1.7
121.10217	0.4
123.04529	4.3
123.08170	2.0
124.01750	0.3
125.02444	9.9
125.06068	0.7
125.09726	7.9
126.02843	0.3
126.10072	0.3
127.03978	0.3
129.01930	0.4
131.03514	2.5
131.04993	0.5
133.05061	1.0
135.08159	1.7
136.05322	0.5
137.06094	1.0
137.09737	4.5
139.04030	0.9
139.07701	0.4
141.01942	0.9
141.12889	1.5
142.02699	0.7
143.03487	5.4
145.06531	0.4
147.08110	0.4
147.11830	0.5
149.04568	1.2
149.06088	1.1
149.09706	0.6
151.11266	0.9
159.03012	0.3
159.08153	0.4
160.08917	0.4
161.04547	7.0
161.09663	0.3
162.10497	0.5
163.07651	1.0
163.11290	9.9
164.08438	0.5
164.11716	0.5
165.09238	1.0
165.12782	2.0
167.03505	0.5
167.10796	0.9
171.02921	0.3
171.10246	1.0
173.09625	0.3
175.11276	0.8
177.09102	0.4
177.12868	0.9
179.05614	8.4
179.10805	1.1
181.12302	1.9
183.13899	1.0
185.04517	1.0
185.11818	8.8
186.11987	0.4
189.12872	0.5
191.10773	1.6
191.14409	9.7
192.14738	0.7
193.12300	1.0
197.11833	0.7
203.14548	0.4
207.10246	6.4
209.11813	25.7
209.55153	0.3
210.12120	1.7
211.13365	4.3
215.14351	0.3
217.07166	1.2
217.16017	1.1
219.05087	0.4
221.06638	2.5
221.11610	0.3
225.11296	4.8
226.11911	0.6
227.12877	1.0
227.18025	0.5
235.08212	9.9
236.08536	0.5
237.11317	7.0
237.44713	0.3
238.11792	0.5
243.17485	0.4
245.06575	0.6
245.19078	19.6
246.19366	1.6
247.16971	0.7
251.12900	0.5
253.09328	2.8
263.07651	2.3
263.20151	5.0
263.22885	0.4
264.20575	0.4
271.17099	2.7
277.09256	0.7
279.19485	0.3
281.21179	2.0
287.07739	1.8
287.16498	0.4
289.18076	87.8
290.18411	8.2
291.19638	0.5
305.08795	2.2
307.19128	100.0
308.19470	10.3
309.20749	0.6
323.09705	1.3
325.20105	1.6
331.19092	0.5
379.12454	0.7
397.13467	48.8
398.13745	4.0
415.14545	41.8
416.14853	3.8
607.26080	1.2
636.25653	0.4
673.34357	1.4
687.32190	1.3
694.60901	0.4
705.33252	8.7
706.33569	1.9
708.01575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46999	0.3
55.01841	1.7
57.03447	2.8
58.00599	2.0
59.01379	40.3
59.01814	1.4
59.11309	0.4
59.86024	0.4
61.98792	1.4
67.01871	0.5
68.99773	0.5
69.03465	3.2
71.01381	31.7
72.99315	2.6
73.02949	5.9
80.02657	1.0
81.03453	3.1
81.22028	0.4
82.47198	0.4
83.01386	6.7
83.05030	2.0
85.02467	0.5
85.02948	8.0
87.00868	7.2
89.02444	33.4
93.03414	1.2
95.01380	2.2
95.05009	3.1
96.95967	1.1
97.02945	7.9
97.06586	4.6
99.00843	1.6
99.04469	0.5
101.02441	27.6
102.02763	0.4
106.04215	1.0
107.04959	0.6
107.08590	0.4
109.02913	0.8
109.06601	2.5
110.03720	0.7
111.00874	0.5
111.04493	1.1
111.08147	0.6
113.02448	12.6
114.02744	0.5
119.03505	12.1
119.08569	0.7
121.02916	0.6
121.06574	1.7
123.04532	4.1
123.08148	1.9
125.02457	8.1
125.06042	0.7
125.09717	7.2
131.03453	1.2
133.05066	0.5
135.04474	0.5
135.08128	1.5
137.06064	0.9
137.09708	4.9
139.03923	0.8
141.01891	1.0
141.09256	0.7
141.12813	1.4
142.02681	0.7
143.03484	4.2
149.04507	0.8
149.06013	1.4
149.09698	0.5
150.10472	0.6
151.11256	0.9
160.08936	0.6
161.04547	6.0
161.09682	1.2
162.10381	0.7
163.07620	0.8
163.11292	8.7
165.09196	0.9
165.12801	1.8
167.10641	0.5
171.10222	1.2
173.09686	0.6
175.11151	0.7
177.12781	0.9
179.05606	8.5
179.10779	0.7
181.12312	2.3
183.13885	0.7
185.04543	0.8
185.11816	8.9
186.12216	0.5
191.10762	1.3
191.12755	0.6
191.14403	9.4
192.14659	0.4
193.12300	0.9
197.11757	0.9
199.06081	0.5
202.13451	0.4
203.14328	0.5
205.12230	0.4
207.10257	5.7
209.11810	20.8
209.77687	0.4
210.12167	1.2
211.13365	3.9
217.07095	0.7
217.15964	1.3
221.06622	2.6
225.11259	5.6
226.11751	0.9
227.12859	1.5
229.33591	0.4
235.08211	9.7
236.08466	0.5
237.11264	5.8
238.11649	0.5
243.17471	0.8
245.19089	19.0
246.19389	1.3
247.17093	0.7
251.12698	0.4
253.09288	4.0
261.18414	0.5
263.07828	1.9
263.20184	2.4
265.18582	0.4
271.17072	2.3
273.15048	0.4
277.09265	0.7
281.21198	1.5
287.07718	1.4
289.18079	89.2
290.18402	7.4
291.19855	0.6
305.08838	2.1
307.19131	100.0
308.19482	8.8
309.20535	0.7
323.09753	1.4
325.20166	1.6
347.41025	0.4
397.13489	51.4
398.13953	3.4
415.14551	44.2
416.14795	3.0
501.85681	0.4
607.26233	1.5
687.32776	1.5
705.32874	6.5
706.34583	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	702.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00578	2.0
59.01378	50.9
61.98825	2.7
69.44005	10.1
71.01385	26.4
71.92374	1.2
72.99310	3.7
73.02972	1.5
73.50344	1.2
79.95729	1.4
80.96521	2.1
83.01392	2.4
85.02932	7.1
87.00899	1.6
89.02445	22.5
96.96007	28.8
99.00881	1.9
101.02448	19.7
106.06621	4.8
110.02480	1.9
112.04053	3.0
113.02463	9.6
115.00351	2.3
116.05048	6.8
116.46497	1.3
119.03503	8.1
122.06109	4.0
123.03244	6.4
124.04037	4.0
130.02908	1.5
131.07103	1.6
132.04521	5.0
133.01425	1.6
134.06123	75.5
135.06410	2.6
138.05626	15.3
138.97026	2.6
143.03464	1.6
152.07172	8.4
158.02467	3.7
160.04027	25.8
161.04517	2.0
164.07184	8.7
172.04047	3.0
176.03499	1.3
184.06187	1.6
190.05090	15.6
192.06657	85.5
193.05217	2.0
193.06987	4.4
204.06677	7.9
237.10367	1.5
241.00198	7.8
249.94835	1.3
255.11389	4.4
267.11459	1.8
279.11252	1.6
281.09354	3.3
287.15033	2.7
293.09415	2.2
298.09616	2.1
299.10394	1.5
305.09222	2.4
307.10849	6.8
311.14038	3.4
312.14230	1.5
314.12622	7.7
337.11865	3.2
339.13480	30.5
340.13855	1.6
424.36871	1.4
487.17191	25.6
488.17206	3.2
517.18378	5.5
519.19794	100.0
520.20300	12.2
582.24390	3.8
608.22327	6.5
626.23517	27.9
627.23059	5.4
640.24792	4.6
652.21082	3.1
670.22504	32.6
671.22723	7.2
684.24652	11.9
685.24335	2.3
702.25079	60.7
703.11725	11.1
703.24963	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	701.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.6
58.00595	1.1
59.01374	8.2
61.98833	7.0
67.01846	0.7
67.61874	0.8
69.03440	3.4
71.01380	8.5
71.55793	0.6
71.56165	0.9
72.99290	1.0
73.02946	1.5
73.56288	0.6
75.00873	1.2
81.03448	0.8
83.05028	1.8
85.02935	2.9
87.00867	1.8
87.04509	1.3
88.98807	0.8
89.02444	24.3
93.03448	1.2
95.01365	1.3
96.96008	7.3
97.02940	6.0
97.06576	4.7
99.00877	1.1
99.04518	1.2
100.01028	0.7
101.02447	4.3
109.06596	12.0
111.04519	2.9
111.08174	1.3
113.02430	2.8
115.00369	2.4
119.03505	1.6
119.05011	0.7
121.02973	0.8
123.08157	7.2
125.06052	0.9
125.09711	1.6
125.19391	0.6
127.07647	8.6
133.01418	4.3
134.03740	1.1
135.04581	0.9
135.08168	12.5
136.08485	0.7
137.02408	0.9
138.06873	6.5
141.09198	1.7
143.03450	0.9
149.06007	1.0
150.06850	10.0
151.07465	0.8
153.09213	24.3
154.09534	1.0
155.10767	4.5
163.07631	3.8
164.08461	1.7
171.06621	7.5
177.09157	0.8
179.05620	1.1
179.10794	7.1
183.13834	1.0
185.00899	2.5
187.09735	10.3
199.09821	3.9
211.13380	13.9
212.13646	0.8
217.10802	70.8
218.11165	2.9
222.03648	0.7
235.08096	0.9
240.17578	0.6
306.18414	0.7
320.19971	1.7
321.20667	1.8
350.21103	1.5
351.21756	1.9
361.14908	1.3
397.13409	8.6
398.13556	0.8
415.14426	2.6
431.28070	1.4
469.15170	2.7
503.28738	1.2
520.30481	0.9
521.23340	1.1
521.31140	4.2
532.54462	0.7
539.31952	1.6
609.27277	3.9
638.37256	1.0
639.33575	1.1
663.35590	1.3
665.37915	0.9
683.36340	2.9
701.37524	100.0
702.26721	1.0
702.37769	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	91.2
69.77031	22.1
71.01391	41.1
71.55605	25.2
78.95899	26.0
82.82732	19.7
96.96046	26.3
98.17847	21.8
117.77847	23.1
171.10255	100.0
174.16568	24.0
189.83078	22.4
223.13364	69.3
247.73331	20.9
309.20813	21.0
311.22177	42.3
426.42316	19.1
492.78949	19.2
548.93951	19.3
647.75830	21.4
701.32526	89.7
702.32062	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	701.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.6
58.00595	1.1
59.01374	8.2
61.98833	7.0
67.01846	0.7
67.61874	0.8
69.03440	3.4
71.01380	8.5
71.55793	0.6
71.56165	0.9
72.99290	1.0
73.02946	1.5
73.56288	0.6
75.00873	1.2
81.03448	0.8
83.05028	1.8
85.02935	2.9
87.00867	1.8
87.04509	1.3
88.98807	0.8
89.02444	24.3
93.03448	1.2
95.01365	1.3
96.96008	7.3
97.02940	6.0
97.06576	4.7
99.00877	1.1
99.04518	1.2
100.01028	0.7
101.02447	4.3
109.06596	12.0
111.04519	2.9
111.08174	1.3
113.02430	2.8
115.00369	2.4
119.03505	1.6
119.05011	0.7
121.02973	0.8
123.08157	7.2
125.06052	0.9
125.09711	1.6
125.19391	0.6
127.07647	8.6
133.01418	4.3
134.03740	1.1
135.04581	0.9
135.08168	12.5
136.08485	0.7
137.02408	0.9
138.06873	6.5
141.09198	1.7
143.03450	0.9
149.06007	1.0
150.06850	10.0
151.07465	0.8
153.09213	24.3
154.09534	1.0
155.10767	4.5
163.07631	3.8
164.08461	1.7
171.06621	7.5
177.09157	0.8
179.05620	1.1
179.10794	7.1
183.13834	1.0
185.00899	2.5
187.09735	10.3
199.09821	3.9
211.13380	13.9
212.13646	0.8
217.10802	70.8
218.11165	2.9
222.03648	0.7
235.08096	0.9
240.17578	0.6
306.18414	0.7
320.19971	1.7
321.20667	1.8
350.21103	1.5
351.21756	1.9
361.14908	1.3
397.13409	8.6
398.13556	0.8
415.14426	2.6
431.28070	1.4
469.15170	2.7
503.28738	1.2
520.30481	0.9
521.23340	1.1
521.31140	4.2
532.54462	0.7
539.31952	1.6
609.27277	3.9
638.37256	1.0
639.33575	1.1
663.35590	1.3
665.37915	0.9
683.36340	2.9
701.37524	100.0
702.26721	1.0
702.37769	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68523	0.9
59.01382	100.0
61.98833	2.8
70.18530	0.9
78.95910	1.0
87.08565	1.0
96.96006	1.4
109.41208	0.9
116.40266	1.2
116.43700	0.9
117.71747	0.9
159.60796	1.0
163.64468	0.8
179.05708	0.9
230.28430	1.1
237.02336	0.9
239.45021	0.9
256.21649	0.9
374.08411	1.1
437.12860	1.4
438.13376	3.8
452.14838	1.5
467.13422	1.3
480.14221	1.1
481.15228	30.4
482.15570	8.7
495.16840	12.7
496.17075	3.8
497.18286	7.4
514.15015	3.6
525.14246	1.7
539.15588	2.7
540.16534	8.9
541.16943	2.9
549.18219	1.1
554.18054	3.3
555.18896	59.8
556.19067	12.1
567.18884	1.3
572.15454	17.9
573.15698	4.2
586.17212	6.9
587.17499	1.1
641.22577	29.7
642.22668	7.5
701.24689	82.2
702.24780	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	699.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15275	0.6
59.01371	2.0
61.98830	6.7
71.01385	2.2
71.05018	0.6
71.64521	0.7
73.02966	0.6
78.95904	0.7
84.79876	0.6
85.02975	0.7
89.02441	1.9
90.42947	0.6
96.96015	11.7
101.02419	1.0
111.50294	0.7
115.00375	1.6
119.03398	0.6
133.01460	3.7
167.26498	0.6
197.02205	6.5
229.27725	0.6
246.52335	0.7
259.43234	0.6
287.14999	0.7
290.43103	0.6
339.66165	0.6
379.34271	0.7
421.31003	1.4
483.31049	9.0
484.31375	1.3
501.32214	100.0
502.32639	15.8
699.35175	28.9
700.35419	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	699.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.9
59.01374	6.9
61.98824	2.7
64.42091	0.6
66.55034	0.6
67.02089	0.6
69.03466	1.5
69.43881	4.9
71.01380	5.9
73.02937	0.9
82.37657	0.6
82.80203	0.6
85.02968	1.1
87.00874	1.2
89.02441	4.7
90.11542	0.6
95.05048	0.8
96.96014	1.4
97.02975	0.6
97.06592	13.0
101.02444	4.4
111.08141	2.0
113.02441	2.1
115.00384	1.2
119.03500	1.3
123.08161	6.0
125.09718	85.3
126.10074	2.6
127.11280	1.1
143.10797	1.1
152.99640	0.6
161.04552	1.4
169.08673	2.8
169.31741	0.8
171.10265	42.6
172.10585	2.0
187.09746	64.6
188.10095	1.7
195.13861	2.2
197.11821	9.7
199.13353	0.7
209.11810	0.9
211.13440	1.1
223.13362	1.7
235.08249	2.5
253.09286	7.9
254.09605	0.7
261.13422	1.1
263.20151	0.7
275.20190	1.1
286.25607	0.8
287.05511	1.2
291.19601	5.2
292.20129	0.7
293.21164	6.4
294.21695	0.8
309.20682	11.9
310.20969	0.7
311.22086	0.7
405.17496	3.5
423.18695	11.6
583.28601	0.9
661.52960	0.7
664.38727	0.8
699.39539	100.0
700.39813	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	697.234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00574	0.3
59.01380	1.8
62.08987	0.2
70.05881	0.5
70.06282	0.5
71.01382	15.1
78.43439	0.2
82.87721	0.2
89.02456	0.8
89.03979	1.0
96.96021	0.8
98.19981	0.5
101.02452	0.5
106.04258	0.3
113.02450	0.3
115.00375	6.2
117.03464	4.6
125.02425	0.3
133.01411	0.6
133.02974	0.3
134.03740	51.5
135.03966	1.9
137.02438	1.6
142.28900	0.2
149.06073	6.8
150.06316	0.4
150.86989	0.2
178.02695	5.1
179.03252	0.6
193.05046	100.0
194.05383	4.7
201.11142	0.3
207.10297	0.3
225.11337	0.3
239.05684	0.3
241.89775	0.3
297.09515	0.4
307.11295	0.3
309.06104	3.7
310.73853	0.3
339.03326	0.3
371.07486	0.3
387.16611	4.4
388.16782	0.4
392.32928	0.3
415.14255	0.3
581.22198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44762	0.3
59.01365	0.3
60.36067	0.2
71.01380	13.7
71.49831	0.2
87.37500	0.2
89.03981	0.8
95.46169	0.2
96.96022	0.3
115.00372	6.0
117.03468	4.3
121.02979	0.3
121.88622	0.3
125.36811	0.2
133.02956	0.3
134.03741	49.4
135.04111	2.0
137.02437	1.1
139.04044	0.4
149.06085	6.4
150.03227	0.2
178.02728	4.2
193.05054	100.0
194.05380	5.3
215.09106	0.3
216.20187	0.2
234.73625	0.2
300.05292	0.4
309.06137	4.4
310.06537	0.3
358.02780	0.2
404.07800	0.4
449.07422	2.9
450.08264	1.8
623.49384	0.2
654.14624	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	695.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.8
61.98822	6.0
69.03458	1.4
71.01374	1.7
71.54906	1.9
74.72874	1.0
79.97102	1.1
80.54996	1.2
84.57861	1.0
96.74314	1.1
96.96000	4.8
97.02945	4.2
111.08152	11.7
121.02912	2.7
133.01434	1.3
135.25085	1.2
153.41116	1.1
165.12785	2.1
169.12303	3.3
171.10275	4.9
197.11823	47.2
198.12164	3.0
199.13420	1.7
211.13400	5.0
213.05353	1.3
227.12955	1.6
228.67578	1.2
263.20151	1.4
273.41803	1.2
287.05484	8.1
291.19656	22.1
309.20697	100.0
310.21075	8.7
327.43460	1.1
384.56204	1.3
385.13272	1.9
408.44992	1.3
491.11371	1.3
491.75262	1.3
652.89819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
58.00593	1.4
59.01367	4.7
61.98832	4.2
69.03425	0.9
69.71799	4.5
71.01372	1.1
78.95861	0.8
79.95395	0.8
83.05048	0.8
85.45928	0.8
91.18513	0.8
96.96008	4.1
98.19908	1.6
109.06578	1.4
111.08168	16.3
115.00341	1.1
116.48663	0.9
127.07658	1.9
137.09697	1.2
142.06075	0.8
167.10818	1.0
169.12279	4.3
171.10263	3.2
181.12318	2.1
183.13780	1.4
191.70915	0.9
197.11829	53.7
198.12125	2.9
199.13385	1.3
208.03792	0.9
211.13405	8.1
223.05998	2.5
224.60287	0.9
263.20139	3.2
265.17902	1.6
273.03732	1.1
274.12878	0.8
287.05368	2.0
291.19647	14.6
292.19812	1.4
309.20703	100.0
310.20969	8.8
331.44519	1.0
385.12650	2.2
727.41534	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59718	0.3
59.01379	100.0
60.01716	0.8
61.98837	2.4
71.55534	0.5
72.68324	0.3
78.95901	7.1
112.95117	0.3
149.00093	0.3
152.99638	0.4
171.31404	0.3
173.47890	0.3
205.16006	0.8
254.38467	0.3
425.83255	0.3
427.18579	0.4
447.13553	0.4
552.58917	0.3
653.30554	0.4
694.61780	0.3
695.31134	41.2
696.31494	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	695.365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.6
60.99295	0.6
61.98806	0.3
70.50365	0.8
71.01381	3.6
71.05037	0.5
72.99318	0.5
83.01335	0.4
85.02936	0.9
89.02451	2.3
96.96023	1.8
101.02448	1.9
113.02479	0.8
119.03495	0.5
126.63384	0.6
202.90088	0.4
211.13385	2.1
212.13760	0.9
253.09152	0.7
294.45477	0.4
377.28427	1.0
379.30106	0.5
393.27780	1.1
395.29935	0.7
407.29572	2.4
423.28909	5.6
424.29333	1.0
425.30908	0.7
439.28625	0.5
441.29993	1.2
448.22626	0.4
453.29843	1.0
457.29739	0.5
467.27631	2.5
471.31125	9.9
472.31586	1.8
485.29037	15.4
486.29462	2.5
515.30994	0.5
517.87781	0.4
527.29877	3.0
528.30719	0.6
533.30060	2.6
647.34320	1.5
695.36444	100.0
696.36749	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	695.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49276	0.6
58.00595	0.7
59.01379	100.0
61.98833	1.9
69.03458	1.0
71.01379	22.9
71.01775	1.2
71.09589	1.4
72.01754	0.7
72.99335	1.2
73.02946	22.8
78.98602	0.7
79.95733	3.6
80.96525	7.3
82.96091	0.6
83.01392	7.0
85.02956	3.0
87.00880	1.1
89.02444	9.9
94.98102	1.8
95.01380	1.2
96.95374	1.6
96.96008	30.5
97.02985	1.2
99.00918	0.8
101.02438	25.7
101.03101	1.3
113.02445	9.3
113.03150	0.8
119.03530	3.9
122.02547	1.1
125.02470	1.5
131.03546	3.6
143.03511	3.1
147.04469	0.6
148.99188	0.9
149.04562	6.5
155.03481	1.2
161.04550	10.2
164.98724	1.2
179.05634	0.7
183.10538	0.7
183.13969	0.8
203.05717	0.8
211.13445	2.3
212.13774	0.8
221.06685	3.6
225.00798	1.1
226.01312	0.6
261.13614	0.8
299.04385	0.6
303.14633	1.0
431.10025	0.9
503.19482	0.9
507.95532	0.8
533.30316	1.6
545.20715	1.5
579.28613	1.2
611.32715	0.7
663.24817	3.0
695.27045	11.3
696.27844	2.0
702.25818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.3
71.01379	14.6
71.54784	0.5
89.02464	0.9
89.03996	1.1
95.69077	0.4
96.95998	2.2
101.02463	0.6
105.08996	0.4
105.13821	0.3
113.02519	0.4
115.00368	5.2
117.03455	5.2
134.03737	50.3
135.04015	2.4
137.02446	1.6
149.06085	5.9
150.05591	1.3
171.10196	0.4
178.02701	5.1
179.05594	0.5
193.05042	100.0
194.05368	5.4
225.11269	0.4
285.03674	0.4
300.85767	0.3
309.06119	4.0
327.29974	0.4
347.74353	0.4
377.60831	0.4
489.09909	0.5
569.24738	0.5
651.16583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22165	0.3
59.01377	1.0
69.47237	1.2
69.47655	1.2
71.01379	14.1
71.62595	0.3
71.92342	0.3
72.46289	0.3
72.68830	0.4
79.91960	0.3
80.96526	0.6
85.02969	0.3
89.03970	0.9
96.09047	0.3
96.96014	4.4
101.02442	0.4
103.62446	0.3
110.00098	0.3
115.00367	6.6
117.03474	4.0
123.04517	0.4
125.02391	0.4
131.07126	0.4
133.01407	1.9
134.03738	49.5
135.04092	1.2
137.02405	1.6
140.80740	0.4
149.06088	5.4
153.78339	0.4
165.01854	0.5
165.10236	0.4
171.10182	0.5
178.02696	4.6
180.04320	0.4
181.88457	0.3
193.05045	100.0
194.05376	5.5
195.06638	0.8
195.20105	0.3
201.11290	0.4
202.27969	0.3
234.65686	0.3
241.24173	0.3
243.53178	0.3
252.08597	0.4
279.12418	0.4
284.03134	1.1
285.03976	1.5
309.06122	4.5
447.09186	0.7
489.10382	1.2
517.66632	0.3
695.26093	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
57.03442	0.8
57.62736	0.2
58.00598	0.4
59.01379	13.6
61.98817	0.3
69.03452	0.7
71.01380	10.6
72.01745	0.2
72.99302	0.9
73.02943	1.5
75.44484	0.2
78.95901	0.2
81.03452	0.6
83.01371	1.2
83.04996	0.3
85.02952	2.0
87.00874	2.4
89.02442	8.5
91.04016	0.2
95.01398	0.9
96.96002	2.5
97.02958	1.5
97.06581	0.4
99.00883	0.4
99.04481	0.2
101.02441	8.4
102.02816	0.2
103.00365	0.2
105.98808	0.2
109.02949	0.3
111.04463	0.4
113.02449	4.2
113.09731	1.3
115.03988	0.3
119.03504	2.8
119.04953	0.2
125.02444	2.6
127.04050	0.2
131.03479	0.5
133.05038	0.3
139.04031	0.3
143.03497	1.3
149.04559	0.3
161.04549	1.5
163.03990	0.3
164.67162	0.2
171.10266	0.4
173.04709	0.2
177.12871	0.2
179.05617	2.0
179.14381	0.9
181.12271	0.4
195.13890	13.1
196.14247	0.7
207.10344	0.2
211.13359	0.2
217.07077	0.2
221.06645	0.7
235.08205	3.0
251.23677	0.3
253.09277	1.1
263.07693	0.4
277.21713	11.8
278.21988	1.2
287.07721	0.6
293.21158	0.5
295.22757	100.0
296.23108	9.3
305.08771	0.6
323.09824	0.4
379.12311	0.3
397.13470	21.6
398.13748	1.8
415.14536	22.3
416.14853	1.9
693.37158	1.0
694.37158	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13228	2.1
59.01368	12.0
59.85509	2.1
61.98823	3.7
69.52608	5.8
69.53012	11.0
71.01372	14.2
83.05025	2.9
85.02929	5.6
89.02438	14.1
89.98094	2.0
96.96008	24.1
97.02934	3.6
99.00865	2.6
101.02452	11.0
105.22888	2.4
113.02413	4.6
115.00353	2.7
119.03470	2.6
125.02395	2.9
135.04507	3.2
163.11314	2.8
168.88934	2.3
173.04524	4.7
177.02071	2.4
179.05586	4.5
201.11278	3.0
209.11804	88.8
209.13809	5.2
209.79150	2.4
210.12212	4.4
211.13443	2.1
227.12907	25.2
227.39474	2.6
235.08197	3.7
284.03210	9.3
285.03992	19.9
286.04327	2.7
305.08600	2.9
335.01260	2.4
397.13458	100.0
398.13736	9.2
415.14502	36.6
416.15030	3.1
423.98859	2.6
447.09488	16.0
489.10498	2.5
538.49280	2.7
607.25940	37.8
608.25916	6.6
625.27026	15.5
677.70563	3.0
693.27307	90.2
694.26624	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	693.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.5
62.22335	0.2
63.53189	0.2
69.64725	1.0
71.01380	0.7
73.02941	0.5
82.09857	0.1
83.01415	0.2
85.02947	0.3
93.03465	0.5
96.96004	0.4
98.20679	0.2
98.95594	0.2
101.02460	0.8
113.02460	0.3
117.03500	0.2
119.05027	92.3
120.05356	3.7
161.04584	0.4
163.04007	100.0
164.04355	4.1
218.89178	0.2
235.11830	0.9
289.16541	0.3
307.13736	0.2
325.09265	17.5
326.09671	1.3
367.16089	3.2
368.16837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88908	0.5
54.90960	0.3
54.91264	0.4
59.01368	2.1
61.98837	0.8
71.01059	0.4
71.01392	1.6
89.02399	0.5
93.67863	0.4
96.95994	3.2
98.95588	0.8
101.02437	0.8
111.31057	0.4
113.02456	0.7
119.05021	89.1
120.05354	4.4
131.07118	0.5
135.04526	3.3
161.04538	0.5
163.03996	100.0
164.04346	4.4
191.05510	0.6
235.11729	0.6
248.53528	0.4
293.12436	1.7
325.09271	19.0
326.09671	1.6
351.08063	1.0
367.15955	2.4
515.67255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25328	2.6
57.03440	2.7
60.78477	2.6
61.98817	5.5
71.54121	4.4
74.68365	2.2
78.95898	65.0
85.28271	2.1
90.13943	2.3
96.96947	6.0
111.08145	4.8
150.97881	2.8
152.99583	100.0
165.12828	37.6
171.00632	8.9
183.13885	91.4
184.14255	3.4
190.57573	2.3
209.11809	6.8
214.13908	2.2
227.03229	2.7
227.12868	22.6
313.57419	2.1
363.12006	5.6
393.99878	2.9
437.15771	25.1
448.29581	2.5
455.16821	67.4
456.17078	4.4
465.24414	2.1
691.38281	97.8
692.38391	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	693.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	25.4
61.98817	3.0
70.69860	1.6
78.95908	3.4
96.96001	6.7
131.76817	0.7
152.99600	2.1
218.06721	0.8
276.71643	0.9
279.05829	0.8
279.23444	1.4
284.33032	0.9
409.27402	1.5
431.02551	0.8
480.14563	1.1
496.14063	2.9
497.14301	2.4
510.15118	2.1
511.15994	2.3
512.17285	1.0
544.16083	2.0
567.18604	1.3
571.18402	1.2
595.28772	6.1
597.19965	2.5
598.20758	1.7
599.21576	5.7
600.21271	1.3
643.20844	1.8
657.22131	16.7
658.22363	3.9
693.19745	100.0
694.19965	30.2
724.66528	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60039	0.1
55.01869	0.4
57.03446	0.5
58.00597	0.8
59.01377	18.4
60.01705	0.2
61.98858	0.2
69.03451	0.9
71.01377	13.5
71.05035	0.2
72.01731	0.2
72.99310	1.0
73.02941	1.9
74.65524	0.1
75.00862	0.3
81.03461	0.5
83.01376	1.2
85.02956	2.6
87.00869	2.9
89.02441	12.5
90.02762	0.2
91.04015	0.2
93.03445	0.2
95.01396	1.1
95.05048	0.2
97.02940	2.0
97.06622	0.2
97.21163	0.1
98.19947	0.4
99.00887	1.0
99.04551	0.2
101.02438	9.4
103.00365	0.2
109.02968	0.3
109.06577	0.2
111.00906	0.1
111.04514	0.4
111.08176	0.5
113.02444	5.0
113.09732	0.4
115.04018	0.3
119.03499	3.1
121.02937	0.2
121.51632	0.1
125.02431	3.5
125.03327	0.2
127.03907	0.2
131.03514	0.6
133.05061	0.3
139.03989	0.3
141.01921	0.1
143.03494	1.5
144.03801	0.2
149.04510	0.3
161.04541	2.2
167.03491	0.1
167.10770	0.3
169.04999	0.2
177.12871	0.3
179.05595	2.6
179.14380	0.6
181.12311	0.2
195.13884	7.7
196.14455	1.0
199.06052	0.2
205.12352	0.7
205.15916	0.5
211.13429	0.5
217.07002	0.2
221.06651	0.7
223.13382	5.5
223.16718	0.3
224.13889	0.4
225.15053	0.3
228.13614	0.5
229.67668	0.2
231.21144	0.3
235.08212	3.4
236.08835	0.1
239.12915	0.1
249.22049	0.2
253.09337	1.2
256.13107	1.1
262.06100	0.1
263.07758	0.7
265.21707	0.5
275.20096	4.1
276.20459	0.5
277.09088	0.2
287.07834	0.7
293.21198	100.0
294.21518	9.9
305.08701	1.0
317.21198	0.2
323.09848	0.6
355.34079	0.1
379.12659	0.2
397.13461	23.8
398.13800	1.8
415.14532	26.9
416.14914	2.0
446.74768	0.2
461.23285	0.2
654.27277	0.7
655.27277	0.2
691.35394	1.0
692.35052	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
57.03427	0.7
58.00591	0.6
59.01377	14.6
59.27967	0.3
59.48014	0.3
63.62583	0.3
67.33447	0.3
68.64500	0.3
69.03444	0.8
69.81705	0.5
69.82115	1.1
71.01376	12.3
72.99293	0.7
73.02957	1.4
81.03423	0.3
83.01382	1.1
85.02943	2.3
85.66370	0.3
86.56906	0.3
87.00882	2.4
89.02442	10.8
90.02806	0.3
91.28619	0.3
95.01400	0.9
97.02950	1.8
98.19907	0.6
99.00863	1.0
101.02434	8.1
111.08144	0.3
113.02438	4.2
113.95907	0.3
119.03475	2.7
125.02439	2.9
131.03468	0.4
139.03999	0.3
143.03522	1.5
161.04526	2.2
169.05005	0.3
179.05597	2.8
179.14328	0.5
195.13893	7.4
196.14590	1.0
200.15958	0.3
205.12352	0.5
217.07201	0.3
221.06708	1.1
223.13391	5.4
224.13760	0.4
225.14903	0.4
228.13557	0.4
231.21240	0.4
235.08247	2.8
239.12808	0.4
249.22195	0.4
253.09251	0.6
256.13083	0.6
260.21951	0.3
265.21759	0.4
275.20172	3.6
287.07703	0.7
293.21204	100.0
294.21542	9.5
305.08807	1.1
323.09662	0.6
387.60562	0.3
397.05716	0.5
397.13452	22.7
398.13727	2.1
415.14520	25.7
416.14740	2.2
446.60834	0.3
521.55389	0.3
654.27698	0.7
691.35583	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59335	0.1
56.42130	0.1
59.01377	0.1
70.05689	0.2
70.06104	0.1
71.01382	0.1
79.95735	3.6
80.95787	0.1
89.79490	0.1
96.96011	100.0
97.95933	0.2
116.81067	0.1
166.91721	0.1
207.10399	0.1
209.00368	0.1
289.16608	0.1
297.07709	0.2
346.20682	0.1
353.06778	0.5
354.06781	0.1
383.07870	0.3
387.16617	0.2
473.10751	0.1
593.15088	2.2
594.15247	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.08009	0.3
57.03444	1.9
58.00587	0.8
59.01384	23.0
59.73980	0.3
60.03960	0.3
61.98822	1.2
69.03451	1.4
69.74435	0.3
69.76463	1.1
69.76873	0.6
70.50815	0.3
71.01386	18.9
72.99317	1.8
73.02944	2.8
73.08805	0.3
73.80165	0.4
75.00874	0.5
78.95898	0.9
80.96519	0.6
81.03455	0.7
82.54854	0.3
83.01386	1.7
83.05028	1.0
85.02953	3.7
87.00885	3.6
89.02447	14.7
93.03479	0.4
95.01396	1.1
95.05046	0.9
96.96005	1.1
97.02959	2.3
99.00889	1.2
101.01794	0.7
101.02446	12.3
109.06575	0.5
111.00857	0.5
111.04501	0.6
111.07385	0.4
111.08163	8.9
113.02456	7.1
113.09753	0.6
119.03510	4.7
121.02989	0.4
123.04540	0.4
125.02454	5.0
127.03936	0.5
131.03522	0.9
135.11809	0.5
137.09700	0.8
139.03978	0.4
141.01779	1.9
143.03506	2.1
161.04562	3.4
167.10764	2.3
171.10231	0.9
177.12837	1.8
179.03703	0.3
179.03984	0.4
179.05576	3.1
179.10779	2.0
195.13933	5.5
195.15608	0.6
196.14374	0.5
197.11833	0.5
203.14453	0.5
207.10236	0.6
209.11809	1.5
211.13406	0.3
221.06625	1.3
225.00734	0.4
225.11246	0.5
227.12903	0.5
235.08244	5.1
247.20590	2.7
253.09323	1.4
263.07687	0.8
273.18573	1.2
287.07739	1.3
291.19669	100.0
292.16797	0.6
292.20013	9.4
295.22519	0.4
305.08792	1.4
313.03302	0.3
323.09940	0.7
379.12289	0.5
397.13507	44.4
398.13837	4.2
415.14569	25.7
416.14972	1.7
485.32700	1.1
607.24274	1.1
651.40228	1.5
671.33112	0.6
689.33734	6.4
690.33429	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	689.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
57.03448	1.7
58.00595	0.9
59.01379	21.8
60.01745	0.3
61.98822	0.5
69.03455	1.3
70.28252	0.2
71.01380	18.2
72.01730	0.4
72.99312	1.2
73.02943	2.5
73.78049	0.2
78.95918	0.2
80.96565	0.2
81.03450	0.6
83.01383	1.9
83.05041	0.9
85.02946	3.3
87.00870	3.3
87.01374	0.3
89.02441	15.0
93.03482	0.5
93.93803	0.2
95.01416	1.0
95.05034	0.9
96.95997	0.6
97.02940	2.3
97.06612	0.3
99.00890	1.0
101.02439	13.2
103.04016	0.3
109.02928	0.2
109.06602	0.5
111.00876	0.5
111.04548	0.5
111.08157	9.5
113.02447	6.5
113.09730	0.7
119.03502	3.9
119.05006	0.5
121.10245	0.3
123.00855	0.3
123.04504	0.3
123.08192	0.3
124.46275	0.2
125.02443	4.1
125.09782	0.4
131.03516	0.4
135.11790	0.3
137.09752	0.8
139.04002	0.4
139.11279	0.4
141.01843	0.8
143.03491	2.9
149.04587	0.5
149.09645	0.4
155.10774	0.3
157.04988	0.2
161.04559	3.4
163.11421	0.3
167.10799	1.7
171.10275	0.6
177.12856	1.9
179.05589	3.1
179.10732	1.8
185.04524	0.4
195.13911	5.7
196.14186	0.3
197.12010	0.2
203.14473	0.4
209.11803	1.0
211.13345	0.5
211.79353	0.2
221.06653	0.9
229.19814	0.3
235.08224	4.9
235.10399	0.4
247.20667	2.7
253.09320	1.2
263.07611	0.6
273.18582	1.4
277.09430	0.3
287.07761	1.1
291.19641	100.0
292.19980	8.4
305.08856	1.4
323.09802	0.8
379.12430	0.4
397.13474	46.0
398.13794	3.5
414.48755	0.3
415.14554	23.9
416.14917	1.7
485.32739	0.4
568.39380	0.2
607.23541	0.6
689.33820	8.1
690.34045	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
59.01373	1.5
61.98826	0.4
63.65900	0.3
63.76759	0.4
63.77137	0.4
69.03455	0.8
70.36636	0.8
70.37032	0.8
71.01379	2.6
72.99284	0.4
74.93877	0.4
85.02946	1.1
87.00841	1.0
89.02444	0.7
96.95993	1.4
97.02929	0.8
97.06554	1.1
101.02449	0.7
111.04459	0.5
111.08139	0.5
113.02470	0.4
115.00362	4.2
123.08148	1.2
123.98190	0.4
127.11322	0.4
133.01425	8.6
135.04526	0.6
135.08208	0.6
136.05330	0.5
137.09763	0.4
141.09181	0.6
149.06012	1.0
150.06859	30.7
151.07204	1.2
161.09647	0.5
162.06831	0.8
163.07654	5.4
164.08418	6.5
165.09109	0.4
176.08435	0.4
177.09114	0.4
178.09988	1.8
179.03444	0.8
179.10771	17.5
180.11072	1.3
187.09790	0.5
205.82100	0.4
211.13486	0.5
214.68236	0.4
229.10812	0.6
267.06561	0.8
292.20465	0.5
293.04727	0.4
320.19894	0.9
321.20667	0.7
335.22330	0.5
341.23175	0.6
343.21167	4.7
348.12122	0.4
348.81168	0.4
364.22473	1.1
409.12872	3.6
435.10733	0.5
444.28455	0.4
459.31039	1.3
462.29819	1.7
477.32108	6.6
478.32523	0.7
504.30780	1.2
505.31866	2.3
522.31915	1.9
523.32697	24.8
524.33026	3.5
685.37988	100.0
686.38361	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	685.38
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97557	0.3
59.01381	2.6
61.98830	49.7
62.98536	0.8
63.99253	0.6
69.47807	0.4
71.01383	4.5
71.05016	0.5
72.99313	0.7
73.02947	0.4
85.02963	1.1
86.90155	0.3
87.00889	1.1
89.02455	1.4
95.05013	0.4
96.56511	0.4
96.96007	1.0
97.02953	0.6
97.06573	0.8
97.71318	0.4
99.04543	0.4
101.02420	0.5
111.08138	0.6
113.02427	0.4
115.00362	5.8
119.03488	0.4
123.08168	1.2
130.59938	0.4
133.01428	12.6
135.04489	1.9
136.05272	0.5
146.03706	0.5
149.06110	1.0
150.06859	27.9
151.07419	0.8
151.11366	0.6
157.08688	0.6
162.06935	0.6
163.07631	5.3
164.08411	4.8
176.08446	0.7
177.09114	0.6
178.10025	1.7
179.03520	0.7
179.10768	13.9
180.11139	0.7
187.09735	0.4
229.10555	0.5
255.14749	0.4
267.06622	0.7
268.07227	0.6
299.18686	0.5
312.06479	0.5
320.19794	1.1
335.22153	1.0
341.23355	0.9
343.21176	3.3
344.21722	0.4
364.22437	2.5
397.13544	0.5
409.12997	4.7
410.13120	0.4
435.11166	0.9
441.29980	0.6
444.28815	0.6
459.31226	1.6
462.29889	1.5
476.31409	0.9
477.32062	5.3
504.30917	1.3
505.31836	2.0
522.31628	2.6
523.32727	22.2
524.32898	3.1
539.10675	0.4
685.38007	100.0
686.26263	0.7
686.38312	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	685.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.6
58.66910	1.3
59.01106	1.7
59.01382	20.5
61.98829	15.0
65.77042	1.2
69.03445	1.4
69.33648	9.6
70.34998	1.3
70.84055	1.1
71.01378	19.0
72.27574	1.2
72.99301	2.7
73.02950	4.1
74.16792	1.2
79.95735	2.1
80.02656	1.4
80.96522	2.2
83.01377	2.0
83.05032	5.1
85.02948	5.1
87.00866	4.4
89.02430	14.7
95.01393	1.5
96.96022	6.4
97.02937	2.9
99.00866	2.5
101.02437	16.0
113.02444	7.0
114.39467	1.2
115.00348	4.1
118.81293	1.4
119.03469	3.8
125.02435	4.4
133.01427	9.1
143.03508	3.0
161.04527	3.3
163.11247	3.7
165.12819	3.4
179.05632	2.6
179.39575	1.1
181.12343	1.5
182.12653	1.2
188.03430	2.0
199.13396	4.5
207.10330	1.8
209.11818	100.0
210.12149	5.5
223.09418	3.0
225.11317	2.3
226.11644	1.6
227.12872	27.9
235.08182	5.9
253.09335	2.1
265.09805	1.6
287.07645	2.0
323.09583	1.5
391.11542	2.1
393.50491	1.3
397.13510	57.3
398.13849	3.8
401.09653	1.5
409.12781	1.7
415.14539	24.1
416.14597	3.4
474.16318	2.2
511.18451	1.4
518.42993	1.3
607.26276	4.6
625.26361	9.7
654.23035	4.2
686.25140	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	684.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
61.98829	100.0
62.98549	0.3
69.03457	0.3
69.47790	0.3
69.48217	0.6
71.01385	1.4
72.15100	0.1
72.99296	0.1
85.02927	0.2
87.00896	0.2
89.02425	0.7
90.97092	0.1
93.17855	0.1
96.96033	0.6
97.02940	0.2
98.19798	0.2
99.00893	0.2
101.02459	0.5
102.02789	0.2
113.02471	0.3
113.06020	0.1
115.00373	1.3
119.03504	0.1
126.47510	0.1
133.01421	3.3
135.04559	0.4
150.06863	1.9
163.07671	0.4
164.08427	0.5
179.03511	0.3
179.10785	1.0
185.00954	0.4
195.13989	0.2
196.14229	0.2
206.12772	0.2
223.13356	1.2
224.13686	1.0
225.14041	0.4
267.06607	0.3
283.09268	0.1
308.77124	0.2
335.22418	0.1
343.21323	0.2
358.59326	0.2
365.13736	0.2
397.13547	0.4
398.13971	0.6
399.13867	0.9
400.14435	0.5
409.12985	1.1
417.15213	0.4
418.15234	0.1
435.10959	0.3
453.11642	0.2
462.30301	0.2
477.32513	0.2
522.32404	0.1
523.32764	1.6
624.28540	0.9
625.29352	0.2
684.38147	0.3
685.38025	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	683.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.3
59.01376	5.2
61.98833	1.0
63.84404	0.3
69.03438	0.6
69.32014	2.5
71.01385	4.6
71.05013	0.7
72.99305	0.6
73.02942	1.1
75.00856	0.4
79.61050	0.3
80.02263	0.3
80.02663	1.5
81.03049	0.3
81.03436	1.6
83.01392	0.6
83.05023	6.0
84.02164	2.0
85.02959	1.6
87.00885	0.4
88.19473	0.3
88.98812	1.0
89.02427	1.8
95.01404	0.4
95.05036	1.0
96.96000	3.5
97.02950	0.3
97.06606	0.4
98.13911	0.3
98.20831	0.3
99.00846	0.4
101.02437	3.4
105.54714	0.3
109.06527	0.3
113.02434	1.2
115.00368	0.3
116.92881	0.5
119.03500	0.4
125.06081	0.7
127.11343	0.3
131.03481	0.6
133.01413	0.5
135.08205	0.6
140.46379	0.3
147.11772	0.3
161.04564	0.8
163.11264	5.1
165.12849	3.6
166.13263	0.3
181.12373	0.8
191.10771	1.1
199.92439	0.3
209.11810	100.0
210.12155	5.4
227.12865	61.0
228.13171	3.0
259.15488	4.8
291.17871	0.4
336.82880	0.3
341.26898	1.8
347.10065	0.3
359.27927	0.9
416.60730	0.3
421.20496	0.5
422.20865	0.4
423.22217	5.0
424.22644	0.3
461.18158	0.4
503.32007	1.1
521.33313	9.0
522.33429	0.9
579.33276	0.6
683.28467	0.4
683.38477	4.1
684.38263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
57.03435	0.6
59.01384	14.3
63.95135	0.5
70.02037	2.3
71.01382	11.9
71.05005	0.8
72.99294	0.8
73.02941	1.7
75.00890	0.6
81.82282	0.5
83.01370	1.0
85.02940	2.0
87.00868	3.0
88.98820	0.5
89.02442	7.6
95.01375	1.1
95.04999	0.6
96.96001	7.6
97.02944	7.4
97.06613	0.9
99.00879	9.5
101.02431	6.8
109.06588	1.3
110.03722	1.9
113.02459	3.6
117.26324	0.5
119.03505	2.2
123.08120	0.6
125.02422	3.7
125.09723	2.0
135.08168	1.2
139.04070	0.6
142.02692	1.7
143.03461	1.0
144.04539	0.8
161.04570	1.0
161.09677	0.7
163.11273	8.4
179.05571	1.1
181.12331	15.0
199.13354	1.9
207.10252	39.9
208.10583	2.4
223.13492	0.7
225.11310	70.8
226.11594	4.6
235.08183	1.8
241.14395	1.9
243.09819	1.0
243.12354	20.6
253.09404	0.9
263.07681	1.5
276.36240	0.5
285.10162	0.8
288.41492	0.5
317.16046	1.1
397.13461	9.1
398.13589	0.7
403.10611	0.6
415.14612	3.8
610.15430	0.6
623.25537	100.0
624.25909	14.6
639.28583	0.8
683.38391	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	679.3696
Annotation	2-(beta-D-glucopyranosyloxy)-3,16,20-trihydroxy-9-methyl-19-norlanosta-5,24-diene-22-one
Peak:m/z	Relative Intensity
59.01381	7.0
60.99283	0.4
61.98821	0.9
69.03454	0.5
71.01383	4.4
71.05009	1.7
71.55688	0.5
72.99281	0.7
73.02938	0.8
80.96523	0.4
83.05022	0.6
85.02955	1.7
89.02459	2.4
93.03460	0.4
93.15772	0.3
95.01340	0.5
96.96009	2.7
97.02939	0.7
99.92612	0.3
101.02438	2.3
113.02447	1.9
115.00367	0.7
116.92873	2.4
119.03499	0.6
119.05025	0.6
121.02941	1.2
133.01404	0.5
134.03711	0.3
137.02446	0.6
147.08127	0.6
150.03043	0.3
161.04607	0.4
193.05080	0.6
195.06721	0.5
373.25870	3.2
374.26141	0.4
377.28421	0.7
393.31662	0.5
395.29660	0.6
411.32767	0.5
419.29288	1.7
421.27789	0.6
437.30588	8.7
437.36441	0.7
438.31052	1.7
441.43039	0.4
455.31613	5.9
456.31870	0.9
473.32712	1.7
481.28006	0.4
499.30811	3.6
500.30933	0.7
517.31628	24.7
518.32098	4.3
559.32660	1.3
563.28943	1.0
679.36963	100.0
680.37317	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	679.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08080	0.7
59.01379	11.0
61.98592	0.6
61.98834	7.5
63.95286	0.7
68.99586	0.9
69.03453	1.2
71.01392	5.2
71.56100	1.3
72.72356	0.7
72.99232	0.7
73.02949	1.3
78.95881	0.8
80.96539	0.7
85.02949	2.5
87.00867	0.9
89.02444	2.0
91.18200	0.7
96.96000	3.2
97.02966	3.7
101.02428	3.4
113.02443	1.3
116.92844	3.2
119.03492	1.2
121.02974	2.3
133.01447	1.1
137.02457	1.5
139.11319	1.0
161.04515	1.0
181.12399	1.0
183.10100	1.2
199.62381	0.7
243.12355	5.7
301.21698	3.5
319.22653	1.4
389.25427	1.9
459.05588	0.8
467.40488	0.8
481.28070	100.0
482.28342	14.2
647.00421	0.8
679.30829	12.2
680.30811	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	679.31
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54165	0.9
59.01378	6.7
61.98830	43.0
71.01379	7.3
73.02942	2.1
78.95926	1.3
79.95716	1.7
82.95394	1.5
83.01383	2.3
85.02930	5.0
89.02435	1.5
96.96012	52.1
97.02955	2.4
99.00880	1.5
101.02457	4.7
102.08069	1.0
103.69140	0.9
113.02459	3.0
115.00367	1.5
121.03015	1.0
133.01396	1.7
137.09726	1.2
161.04562	1.7
171.10258	5.8
193.08430	10.3
210.12119	1.2
213.14952	1.6
233.11552	2.9
243.12238	2.4
327.21729	3.6
329.23267	2.0
351.21573	3.1
465.25226	4.0
481.28024	100.0
482.28394	13.0
509.38837	1.1
679.30841	15.2
679.41382	1.4
680.31201	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	679.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.7
61.98811	0.8
70.06406	0.3
71.54829	0.6
73.02919	0.5
83.01362	0.4
84.60657	0.3
85.02961	1.6
85.03393	0.4
89.02414	1.4
96.95993	1.9
101.02464	1.6
113.02448	1.1
115.00320	0.5
116.92833	1.0
121.02924	0.5
123.74133	0.3
133.02957	1.3
134.03731	0.8
140.50677	0.4
151.00294	1.0
161.04530	0.4
177.01842	0.4
179.03445	0.5
188.04675	0.3
211.13359	0.6
255.02827	1.9
256.03784	2.4
269.04510	1.0
283.02325	0.5
284.03247	100.0
285.03635	6.7
297.04138	0.9
299.05585	90.7
300.05939	5.8
341.06656	1.4
431.22797	1.5
473.11014	1.2
473.23929	3.7
503.12067	2.0
516.28918	0.4
517.30225	0.6
563.20941	0.6
563.28790	1.4
575.14398	0.7
593.15015	2.6
635.16132	41.5
636.16425	6.2
636.25940	0.6
679.37177	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	677.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02956	0.4
59.01370	0.5
69.03449	0.4
70.02963	0.2
70.58131	0.1
71.01380	0.5
73.02967	0.1
79.01931	0.1
80.05038	0.2
80.59192	0.1
81.03453	7.4
82.03818	0.1
83.05023	18.3
84.05358	0.3
96.96006	1.3
97.02911	0.2
98.19898	0.5
100.07722	0.3
101.02422	0.3
107.06133	0.4
108.04543	0.6
119.05066	0.3
125.07201	1.3
126.05587	0.5
143.08238	0.5
157.13484	0.2
163.03992	0.2
185.00957	0.3
199.18103	0.1
207.15002	1.6
211.13605	0.2
222.16064	0.2
224.17677	2.7
225.16061	14.1
226.16412	0.6
230.26137	0.1
242.18724	0.6
243.52901	0.1
268.16650	0.2
290.22266	0.2
291.20587	0.2
309.21783	0.9
324.26465	0.6
333.22852	0.8
339.27533	0.2
341.29233	1.0
351.24075	0.3
367.27069	1.0
384.27335	0.1
385.28177	0.2
407.33905	0.3
433.31677	1.2
434.32315	0.2
450.34494	1.5
451.32849	6.9
452.32904	0.9
471.21747	0.2
491.28745	0.2
513.03149	0.2
535.38971	0.1
550.43329	0.9
559.39880	0.5
565.44568	0.3
567.45837	0.2
577.41266	0.2
589.66492	0.2
593.43292	0.6
641.40839	0.1
659.48633	1.6
677.49634	100.0
678.49945	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	677.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46283	0.2
55.01891	0.3
57.03447	0.3
57.21979	0.2
58.62254	0.2
59.01377	2.6
61.98826	0.7
69.03452	0.7
71.01380	1.8
71.05009	0.4
71.56357	0.3
73.02921	0.3
79.95720	0.3
80.02675	1.5
81.03449	1.6
83.01382	0.5
83.05025	6.4
84.02171	1.8
85.02954	1.2
89.02438	1.0
93.03460	0.3
95.05016	0.8
96.96007	3.5
97.02946	0.4
97.06596	0.3
98.95584	0.2
99.00885	0.3
99.04490	0.3
101.02444	1.1
111.08134	0.3
112.23238	0.2
112.98536	0.2
113.02423	0.6
114.93425	0.4
115.00397	0.4
116.92855	0.4
119.03471	0.4
121.02998	0.2
123.04485	0.4
125.06054	0.9
125.09672	0.3
133.01410	0.3
135.08125	0.8
147.11816	0.3
153.12791	0.3
161.04601	0.3
163.11284	4.7
165.12828	3.1
181.12347	0.7
185.00842	0.5
191.10832	1.2
192.11142	0.3
209.11809	100.0
210.12148	5.7
227.12868	62.2
228.13191	2.9
239.18103	0.2
259.15460	6.3
260.15701	0.4
417.24893	0.3
515.28577	1.8
561.27014	0.3
637.00903	0.3
677.35565	2.6
678.33984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
55.93855	0.2
57.01168	0.2
57.03444	0.8
58.00589	2.0
59.01379	37.6
60.01725	0.3
61.98827	0.6
68.99822	0.4
69.03452	1.9
69.35561	1.0
69.35968	0.6
71.01379	33.0
72.01734	0.5
72.99310	2.6
73.02942	5.5
75.00877	0.7
78.95956	0.3
81.03462	1.4
83.01384	4.1
83.05017	0.4
85.02950	7.0
86.00128	0.3
87.00875	8.5
87.04519	0.2
89.02444	29.3
90.02764	0.4
90.65835	0.2
91.04001	0.6
91.47633	0.2
93.03452	0.4
95.01391	2.7
97.02950	5.9
98.19888	0.3
99.00880	1.9
99.04503	0.4
101.02439	26.7
102.02805	0.3
103.00401	0.2
103.04006	0.3
109.02955	0.8
111.00874	0.7
111.04525	1.0
113.02448	13.8
113.55766	0.2
114.02740	0.4
115.04004	0.6
119.03495	8.5
119.04882	0.3
119.06590	0.3
121.02961	0.7
123.00888	0.3
123.04540	0.3
124.01665	0.3
125.02446	10.7
127.04012	0.4
129.01971	0.3
131.03508	1.7
133.05032	1.1
137.02457	0.3
139.04010	0.9
141.01962	0.7
143.02397	0.4
143.03493	5.2
144.90941	0.2
149.02448	0.2
149.04497	1.0
151.04047	0.2
152.99522	0.3
161.04550	6.6
162.17368	0.2
163.03961	0.4
167.03493	0.6
169.05055	0.5
171.03061	0.2
179.05600	5.3
185.04553	0.4
199.06041	0.5
203.05679	0.4
217.07158	0.9
219.05013	0.3
221.06683	2.1
235.08218	12.7
236.08702	0.4
245.06653	0.7
253.09270	3.5
261.22104	0.4
263.07736	1.5
277.09277	0.7
279.23264	100.0
280.23605	7.7
287.07767	3.4
293.24759	0.5
305.08777	4.0
323.09775	1.9
361.11343	0.3
379.12375	1.0
386.18439	0.2
397.13480	89.3
398.13800	5.6
415.14542	34.0
416.14896	2.4
595.28821	0.5
677.37646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10649	0.8
55.01874	2.2
58.02963	3.0
59.01379	5.3
69.03453	1.1
70.02967	1.2
71.01375	2.2
71.13444	0.7
71.13797	1.6
76.57996	0.6
80.05032	1.2
82.02957	1.6
83.01384	2.3
84.04548	3.5
85.02911	0.9
87.05630	2.9
88.04029	9.4
89.02445	2.0
93.03452	1.2
94.02974	1.1
96.04565	1.4
96.95992	2.0
97.02950	1.1
97.04089	1.0
98.02466	2.1
98.06100	2.1
99.00881	0.9
100.04046	18.9
101.02450	2.9
102.05605	18.0
112.04044	2.9
112.07681	1.0
113.07216	1.2
114.05609	0.9
116.07164	3.0
119.03490	1.7
124.03223	1.3
124.04046	13.7
125.02447	1.8
128.03540	51.7
129.03836	0.7
129.10338	10.1
135.04532	1.6
136.04042	1.5
137.02429	2.6
138.05573	1.7
140.03485	0.9
141.06674	2.1
142.05101	9.3
146.04596	8.1
154.05040	1.7
159.07779	1.9
160.06160	11.5
161.29826	0.7
163.03973	1.0
165.93428	0.7
166.05040	2.2
173.09209	0.9
177.01912	9.2
184.06145	2.5
184.09953	0.8
193.04970	1.9
202.07207	8.3
216.01508	0.7
245.11366	4.4
261.37711	0.7
339.07141	1.4
345.12955	4.8
405.15024	3.8
430.18683	1.4
477.16531	0.8
506.19791	0.9
548.20984	52.5
549.21069	5.9
677.25183	100.0
678.25519	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	675.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.17893	0.2
60.01720	0.9
61.98836	0.6
69.77155	0.6
69.77576	0.4
74.03403	0.2
80.96532	0.3
82.27641	0.2
83.72144	0.2
96.96009	0.2
128.21245	0.2
138.61426	0.2
139.80466	0.2
144.44727	0.2
155.47374	0.2
155.91676	0.2
173.69360	0.2
180.88673	0.2
199.55363	0.2
208.38667	0.2
213.18857	0.2
257.19119	0.2
438.98212	0.2
555.28851	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
56.60620	0.2
56.99809	0.2
57.03446	1.3
58.00349	0.2
58.00596	2.1
59.01378	45.8
60.01721	0.4
61.98827	0.6
65.33977	0.2
67.01896	0.3
68.99813	0.5
69.03452	2.3
71.01379	41.3
71.05031	0.2
71.11575	0.2
72.01725	0.4
72.99305	2.8
73.02943	6.8
75.00868	0.6
78.95906	0.5
81.03453	1.9
83.01384	4.1
83.05016	0.5
84.02172	0.3
85.02948	8.9
86.00100	0.4
86.03257	0.2
86.39207	0.2
86.54837	0.2
87.00874	10.4
87.04502	0.3
88.59611	0.2
89.02440	33.5
90.02766	0.3
91.04026	0.5
93.03439	0.4
95.01387	2.8
95.05029	0.2
97.02946	6.6
97.03579	0.4
98.20615	0.5
98.66775	0.2
99.00882	2.4
99.04516	0.4
101.02439	33.1
102.02782	0.5
103.00376	0.4
103.04022	0.4
107.01340	0.2
107.03459	0.2
109.02944	0.6
111.00868	0.7
111.04510	1.4
112.01646	0.3
113.02448	15.1
114.02743	0.3
115.04034	0.7
117.01981	0.2
119.03497	10.4
121.02935	0.7
123.00859	0.6
123.04497	0.3
124.01651	0.3
125.02441	14.3
126.02728	0.4
127.04012	0.7
129.01910	0.3
131.03499	1.8
133.05078	1.4
137.02428	0.4
139.03934	1.1
141.01941	0.6
143.03491	6.2
144.03867	0.3
149.02509	0.3
149.04504	1.0
155.03447	0.3
157.05038	0.3
161.04550	8.1
167.03474	0.7
169.05020	0.7
171.02982	0.5
179.05598	6.3
185.04503	0.7
199.06155	0.6
203.05573	0.4
217.07173	1.3
219.05042	0.3
221.06628	2.9
233.22723	0.4
235.08212	15.3
235.91650	0.2
236.08542	0.6
245.06604	0.8
253.09268	3.8
256.76300	0.2
259.08212	0.2
259.20755	0.5
261.09244	0.2
263.07574	1.3
275.20108	0.5
277.09598	1.4
277.21698	100.0
278.22037	8.2
278.24408	0.1
287.07706	4.0
291.23224	0.3
305.08795	5.0
306.08835	0.3
323.09766	1.7
361.11383	0.8
379.12399	1.4
397.13470	97.2
398.13809	6.8
415.14532	39.2
416.14960	2.8
483.71649	0.2
675.35065	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.0
62.81126	0.1
69.72839	0.7
71.01386	0.2
78.95903	0.9
79.95744	3.3
96.96012	100.0
97.95952	0.2
111.00886	0.6
152.99617	0.1
153.21368	0.1
158.56862	0.1
168.44696	0.1
171.10185	0.1
173.01057	0.1
211.13414	0.1
249.43280	0.1
253.09332	0.1
293.21176	0.1
333.30939	0.1
363.02615	0.1
450.31073	0.1
471.34705	0.6
643.95868	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04369	0.2
55.01879	1.5
57.03448	1.4
58.00594	2.4
59.01379	49.9
60.01701	0.4
61.98813	0.5
62.06961	0.2
62.52184	0.2
67.01891	0.3
68.99814	0.7
69.03458	2.4
71.01379	40.8
72.01717	0.5
72.99306	3.0
72.99693	0.3
73.02942	7.2
75.00858	0.9
81.03455	1.8
83.01382	5.3
83.05029	0.5
85.02949	8.9
86.00094	0.4
87.00875	10.2
87.04505	0.4
87.13715	0.2
89.02443	36.5
89.67971	0.2
90.02785	0.3
91.04015	0.7
93.03426	0.4
95.01386	3.0
97.02951	7.0
99.00877	2.6
99.04540	0.3
101.02440	35.3
102.02792	0.7
103.00372	0.2
103.04023	0.4
109.02950	0.8
111.00893	0.7
111.04510	1.5
112.01672	0.2
113.02447	16.7
113.93552	0.2
114.02820	0.3
115.04012	0.8
119.03496	11.0
120.03874	0.3
121.02952	0.6
122.71558	0.2
123.00880	0.5
123.04511	0.4
124.01654	0.4
125.02446	15.1
126.02814	0.5
127.03987	0.5
127.07677	0.4
127.08598	0.2
129.02022	0.4
131.03493	1.9
133.05045	1.1
139.03986	1.1
141.01920	0.9
141.05588	0.2
143.03497	6.8
149.04535	1.0
155.03502	0.4
157.05083	0.4
159.02937	0.2
161.04556	8.3
162.04953	0.3
167.03465	0.8
169.05067	0.5
171.03018	0.4
179.05600	7.1
179.88672	0.2
180.05965	0.3
181.05009	0.2
185.04558	0.8
199.06094	0.5
203.05647	0.6
217.07156	1.3
219.05093	0.6
221.06656	2.8
229.01331	0.2
233.22760	0.4
235.08208	15.5
236.08562	0.5
245.06563	1.1
253.09256	3.5
259.08191	0.3
259.20673	0.5
263.07657	1.8
275.20071	0.6
277.09473	1.1
277.21698	100.0
278.22037	8.9
287.07724	3.8
288.08160	0.2
291.23425	0.5
294.41965	0.2
305.08752	4.2
306.08899	0.4
323.09750	1.9
361.11234	0.6
379.12540	1.3
397.13480	92.3
398.13824	7.9
398.19162	0.3
415.14548	37.6
416.14850	2.9
675.36243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01349	0.9
61.98830	3.5
73.02914	1.3
75.00880	1.4
78.95871	0.6
96.96007	2.6
103.00400	0.5
132.34012	0.6
154.91780	0.8
165.46230	0.6
209.11928	0.9
348.38544	0.6
439.14087	0.7
440.14761	0.7
452.11331	1.2
455.17346	1.1
466.16623	1.1
467.12613	0.9
467.17737	1.1
468.18085	0.8
469.19067	0.6
473.18079	1.7
479.17218	2.4
480.17670	0.9
481.18631	0.9
483.13315	1.3
483.20236	3.5
484.20398	1.0
486.15976	0.7
493.18802	2.1
494.19449	1.3
495.12936	1.3
496.12918	0.9
500.16873	0.7
507.16580	1.0
510.15247	7.8
511.15796	2.4
512.13519	0.9
521.18176	0.8
523.16089	3.6
524.16406	0.9
525.18018	3.9
526.14844	11.1
527.15265	2.6
528.17084	0.9
537.17883	1.4
538.18555	2.5
539.19116	0.9
542.14905	1.3
550.15033	2.8
551.14612	0.7
553.19922	0.7
565.17407	1.1
569.16705	10.2
570.16974	3.1
582.17328	1.1
599.17981	2.0
641.18872	5.7
642.19098	1.6
673.21497	100.0
674.21747	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09076	0.2
55.02340	0.2
57.84039	0.2
59.01389	0.7
61.98816	0.2
71.01386	0.7
71.54150	0.3
77.87561	0.2
85.02951	0.9
95.05024	0.4
96.96009	0.9
101.02435	0.2
102.76228	0.3
105.03445	1.7
113.02442	2.5
115.00334	0.3
117.03461	3.7
118.04281	0.5
119.05022	65.4
120.05357	2.3
121.02959	5.7
122.06112	0.2
123.04525	2.4
133.01408	0.6
133.02971	1.2
134.03723	2.6
135.04515	0.9
143.03496	0.7
149.02438	0.5
163.04004	33.7
164.04332	1.4
177.02052	0.3
179.03464	0.6
185.02184	100.0
186.02533	4.0
193.05147	0.3
203.03300	1.6
227.03311	0.3
257.04327	1.0
267.11578	0.3
285.12521	0.6
293.12527	0.3
299.05362	1.9
305.12430	0.7
325.09271	4.2
326.09344	0.3
347.07443	19.8
347.92377	0.2
348.07797	1.1
359.12955	0.2
391.06445	0.4
511.11917	0.3
550.95819	0.2
673.17413	8.6
674.17566	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4013
Annotation	Guineamide D
Peak:m/z	Relative Intensity
51.90695	0.4
52.28845	0.4
53.36328	0.3
57.03434	0.6
59.01381	3.2
61.98830	3.0
62.33760	0.4
69.03432	0.6
71.01373	2.6
73.02940	0.6
84.80708	0.4
85.02944	1.6
87.00873	0.9
89.02445	1.1
96.96012	2.6
97.02872	0.6
98.95590	0.6
99.04544	0.6
101.02454	1.0
101.17899	0.4
109.06550	0.6
113.02451	1.0
113.06092	0.6
115.00383	0.5
119.05000	0.4
121.02936	0.8
133.01361	0.8
133.37608	0.4
135.08182	0.6
136.05338	0.4
137.06033	0.5
137.09680	0.9
148.05305	0.5
149.06075	4.2
150.06859	35.5
151.00340	0.4
151.07289	1.6
155.10773	0.8
161.04486	0.5
161.09709	0.9
162.06862	0.6
163.07634	8.9
163.11263	0.7
164.08427	3.9
171.10228	1.4
176.08333	1.4
177.09178	0.7
178.09929	2.7
179.10767	9.9
189.09087	0.5
207.10245	1.6
209.11787	3.1
225.11301	2.6
227.12875	1.2
235.08357	0.5
253.09175	0.4
265.21793	0.5
327.21747	0.8
327.25339	0.9
329.23349	5.5
329.31201	0.4
330.23715	0.6
343.21072	0.6
394.99490	0.4
430.30832	0.9
439.14133	0.6
445.33124	0.6
447.34363	0.6
448.31857	8.0
449.32559	0.7
462.33655	1.0
463.34253	10.5
464.34641	1.1
487.50043	0.4
490.32706	2.1
491.33670	3.2
508.34042	3.3
509.34839	26.6
510.35287	3.1
653.31433	1.1
671.40118	100.0
672.40497	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	671.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.5
59.01381	2.5
61.98816	1.0
69.03433	0.3
69.27111	0.9
69.27526	2.0
71.01378	2.5
85.02940	1.1
87.00861	0.9
89.02434	1.1
96.96004	2.0
97.06591	1.1
99.04493	0.6
101.02420	0.8
111.04497	0.6
111.08173	0.4
113.02386	0.8
115.00352	1.4
119.04982	0.6
120.97874	0.3
121.06569	1.4
122.03725	1.0
123.08133	1.5
123.91145	0.3
133.01410	2.2
135.04489	1.4
136.05296	23.6
137.02426	0.5
137.06001	0.7
141.01634	0.5
141.09134	0.3
147.08147	0.8
148.05254	0.6
149.06062	4.5
150.06868	3.8
151.07315	0.3
155.10811	0.3
157.08679	0.3
162.06839	1.2
163.04015	0.5
163.07616	1.3
164.08423	3.0
165.09203	20.5
166.09505	1.0
168.31223	0.3
173.12572	0.3
178.02708	0.8
179.10728	1.4
203.20154	0.3
207.10223	0.5
209.11829	0.5
215.09190	0.4
223.09566	0.8
229.10841	0.7
253.08813	1.6
254.09485	0.4
261.18649	0.4
276.06616	0.3
278.18875	0.4
289.17938	0.4
299.84036	0.3
306.18256	0.8
307.19135	0.8
321.20663	1.9
322.21024	0.4
342.07355	0.5
343.21243	5.3
350.20947	2.5
364.22687	0.5
427.28470	1.5
439.13980	2.7
445.29568	2.0
446.30542	0.5
448.28091	0.4
454.28940	0.4
462.29816	0.4
463.30630	6.8
464.30664	0.5
491.30289	2.6
508.30109	2.3
509.31143	26.2
510.31451	3.2
671.36401	100.0
672.36761	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59097	0.3
57.03427	0.8
59.01374	2.9
59.89455	0.3
61.52989	0.3
61.98829	2.0
63.27104	0.4
69.03457	0.4
71.01070	0.4
71.01382	4.1
71.55367	0.5
72.99274	0.3
73.02950	0.8
79.95710	0.5
80.96524	0.4
83.01374	0.5
83.04995	0.5
85.02930	1.1
87.00863	0.7
89.02424	1.2
93.03466	0.4
95.05005	0.4
96.96001	3.4
97.02903	0.4
97.06549	1.0
99.04501	0.7
101.02414	1.5
106.50173	0.3
108.02174	0.3
109.02943	0.6
109.06591	0.4
111.00821	0.3
111.04465	0.6
111.08144	0.5
113.02414	1.0
115.00356	2.1
119.03485	0.4
119.05003	0.8
121.02936	0.6
121.06570	1.4
122.03689	0.7
123.08130	1.4
133.01416	2.7
134.03700	0.9
135.04460	0.9
135.08069	0.4
136.05293	21.3
137.02403	0.6
137.06067	0.6
137.09692	0.8
141.09229	0.3
147.04552	0.5
147.08141	0.6
148.05264	0.7
148.07019	0.3
149.06065	4.0
150.03171	0.3
150.05658	0.6
150.06839	8.0
157.08678	0.6
161.06061	0.5
162.06815	1.3
163.03954	1.0
163.07614	1.7
164.08429	2.2
165.09196	18.1
166.09480	0.6
167.46806	0.3
169.12274	0.4
173.08223	0.3
178.02690	1.7
179.03365	0.3
179.10767	3.1
187.09715	0.5
207.10164	0.7
209.11868	0.5
215.09204	0.6
223.09557	0.7
225.11333	0.5
229.10738	0.8
253.08664	2.8
254.09381	1.8
275.09070	0.7
306.18317	0.8
321.20773	2.4
329.19519	1.3
342.07333	0.8
343.21283	4.6
350.20901	2.5
351.21518	0.5
388.15750	0.4
395.15219	0.3
409.27969	0.4
425.26514	0.5
427.28564	2.3
430.26260	0.4
439.13849	4.9
440.14114	1.0
445.29440	2.1
448.28284	0.5
462.29700	0.4
463.30679	5.2
464.30820	0.9
490.28958	0.4
491.30243	2.4
508.30447	2.0
509.31104	25.7
510.31354	3.6
628.67273	0.4
671.36279	100.0
672.36737	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
69.03468	0.9
71.01389	1.9
73.68909	0.6
74.50801	0.6
78.89474	0.5
95.05019	0.8
96.96024	2.2
96.99341	2.5
97.02976	1.5
124.15790	0.6
127.71994	0.6
133.01480	0.6
141.01707	70.7
142.02000	1.2
142.05063	0.7
173.03108	0.7
198.16608	0.6
207.10318	1.8
209.11903	2.5
223.13518	0.8
225.11290	0.8
253.09235	4.5
255.02950	3.9
269.04608	0.7
275.06577	4.6
278.11441	1.2
283.02502	2.7
293.21259	7.8
315.19586	1.4
335.09833	1.0
375.21655	2.1
446.08530	4.4
529.30365	1.5
551.27649	1.0
583.35986	0.6
671.33063	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	671.2677
Annotation	Kamalachalcone A
Peak:m/z	Relative Intensity
51.59605	2.8
61.98822	5.5
98.19942	8.2
100.04551	3.0
109.00880	3.4
138.25592	3.1
157.04300	3.2
671.26746	100.0
672.27014	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	671.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01717	1.3
61.98840	1.0
70.49569	0.6
71.01388	2.7
71.55891	0.6
75.06000	0.5
89.74412	0.5
95.05012	0.8
95.56911	0.5
96.96045	1.8
96.99329	1.9
101.00949	0.6
101.02464	1.9
101.97584	0.6
106.15452	0.6
113.02480	0.7
125.09731	0.9
134.06091	0.7
141.01703	71.8
142.02061	1.0
142.05113	1.1
165.87317	0.7
171.10333	2.1
173.03072	0.8
195.13963	0.8
209.11775	4.2
210.12216	1.5
223.13435	1.1
224.13847	1.5
225.11536	1.1
233.15623	1.7
253.09279	4.6
255.03210	1.3
275.06100	8.0
276.06555	0.7
278.11536	1.0
293.21298	4.0
315.19385	1.2
335.09937	0.6
336.31442	0.8
375.21582	1.3
417.26663	1.7
436.14664	0.5
529.30017	0.8
551.27429	1.8
653.35602	3.4
671.33691	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33162	1.2
53.72476	0.9
57.03437	1.5
59.01383	6.3
60.99298	1.2
61.98839	5.6
63.02389	2.2
65.00327	13.7
71.01389	5.3
71.55422	1.7
73.02930	1.5
81.03442	2.1
81.88469	1.0
83.01379	6.4
85.02912	2.5
87.00867	1.4
88.98788	7.1
89.02443	3.0
96.96026	6.3
101.02439	2.7
107.01379	20.3
109.06557	1.3
121.02962	2.1
121.96390	1.1
123.04551	2.2
123.43050	1.0
125.02442	20.4
131.01376	1.7
133.01450	2.0
135.00906	1.3
137.02414	2.3
149.02501	1.5
151.00363	53.5
161.02451	2.0
163.11220	2.9
165.01903	2.8
167.03453	4.8
171.10197	2.5
172.05331	2.7
174.03189	2.7
175.00357	6.6
181.12370	1.7
185.06047	2.6
186.06841	8.6
199.07701	6.4
199.13356	1.8
200.04742	1.9
207.10239	9.9
209.06114	1.9
209.11823	15.1
211.03970	1.3
211.13194	1.5
212.04704	2.2
213.14841	1.4
225.11287	9.8
227.12798	5.4
235.08122	1.4
237.05544	1.5
241.09293	1.1
251.07245	1.6
253.09175	1.9
255.02928	2.5
281.04498	1.9
283.02380	1.8
297.03961	1.9
297.14951	17.7
298.15411	1.7
308.03278	3.0
309.04034	15.9
310.04541	1.3
314.15195	2.6
315.13467	2.0
323.05841	1.9
325.14301	3.1
329.17557	14.3
333.07550	1.2
337.03647	2.5
348.06433	1.2
351.04788	1.9
355.15350	2.3
357.17099	15.9
358.17368	1.5
361.07617	1.7
380.16251	2.2
381.17001	1.7
383.14941	5.0
405.16901	1.6
407.15189	6.7
446.08517	2.3
447.17780	2.4
449.15732	3.0
461.20413	2.2
462.16855	1.7
463.17612	2.9
481.18719	6.2
490.15933	2.8
491.17087	27.2
492.17285	2.6
509.18204	36.0
510.18500	4.7
515.17120	2.4
530.09698	1.5
533.17932	9.0
551.19391	1.8
574.32428	1.3
625.69666	1.3
635.30286	1.8
653.22327	42.0
653.32043	5.2
654.22467	6.6
671.23309	100.0
671.32635	6.0
672.23779	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	669.406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
57.03446	2.2
58.00579	1.4
59.01378	31.0
60.01691	0.4
60.95217	0.4
61.98817	0.9
65.65927	0.4
69.03463	0.8
71.01378	32.5
72.99303	2.0
73.02949	7.2
83.01392	4.8
85.02945	12.0
85.03461	0.6
87.00880	2.6
87.37981	0.4
89.02441	13.7
95.01388	2.6
96.96004	1.8
97.02938	1.9
98.20677	0.8
99.00896	2.7
100.13490	0.4
101.02436	20.7
101.59690	0.4
104.43328	0.4
105.01910	1.2
111.00872	1.9
113.02445	11.9
115.00381	0.7
119.03503	4.1
121.04443	0.4
125.02455	1.6
129.01929	0.7
133.01411	1.1
141.01941	0.6
143.03479	1.2
159.02988	1.1
161.04553	3.1
179.05641	1.1
183.13875	1.8
193.12323	0.6
195.03481	0.4
200.73950	0.5
211.13376	21.2
212.13725	1.3
235.08208	1.3
251.07144	0.6
254.05730	0.5
287.07635	0.6
295.06000	0.7
295.22638	0.4
296.06876	0.5
305.08606	0.5
345.29950	1.5
397.13513	12.6
398.13940	1.3
415.14606	5.7
416.14786	0.5
452.86121	0.4
507.35519	6.2
508.35278	0.6
515.48590	0.4
609.27740	3.3
669.40637	100.0
670.29663	0.8
670.40967	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	669.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83278	0.9
57.03447	1.3
59.01381	6.5
60.47928	1.0
60.99277	1.4
61.98814	1.2
69.03438	1.0
69.95090	5.0
71.01382	7.1
83.05043	1.0
85.02944	1.5
87.00886	1.5
88.98837	7.8
89.02438	4.0
95.01416	1.0
96.96010	1.3
98.20529	1.3
99.00852	1.2
99.08038	1.0
101.02442	6.0
102.01859	1.0
102.27001	1.0
111.08168	1.7
113.02483	2.3
119.03490	2.1
131.54282	1.0
147.88374	1.0
161.04581	1.9
165.12860	8.7
167.10687	2.8
179.05490	1.0
179.14418	2.6
181.07181	8.3
183.13898	100.0
184.14235	4.0
195.13922	5.9
205.12292	5.5
209.11815	1.7
223.13390	38.0
224.13696	2.7
227.12975	5.3
235.08203	3.8
253.09303	5.7
253.48558	1.0
419.23050	1.2
445.20709	2.5
459.22290	2.3
463.21741	5.5
469.33032	3.3
487.34296	33.0
488.34860	6.0
489.35138	1.3
666.82849	1.1
669.34894	92.5
670.35052	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	669.3858
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
57.03452	0.7
59.01378	1.8
61.98822	1.1
63.63252	0.3
71.01376	1.4
71.56165	0.4
73.02951	0.4
85.02940	0.8
87.00883	0.9
89.02464	0.6
96.96018	3.6
99.04539	0.7
101.02438	0.5
113.02473	0.3
113.06091	0.8
115.00381	0.4
133.01414	0.8
135.08148	0.8
136.05281	0.8
137.02425	1.6
138.03209	0.4
149.06084	5.0
150.06866	40.1
151.07278	1.5
153.05621	0.7
153.09200	0.9
155.10820	0.5
157.08774	0.5
161.09708	0.9
163.03998	1.0
163.07664	8.5
163.11238	0.4
164.08440	5.6
165.08838	0.4
169.12338	0.4
171.10223	0.5
176.04785	0.6
176.08418	1.5
177.09138	0.4
178.06367	0.7
178.10022	2.9
179.10776	12.8
180.11101	0.5
191.07140	1.0
193.08638	0.5
211.13260	0.4
225.05849	2.1
225.11125	0.4
263.15042	0.3
263.20261	0.3
279.23254	1.0
281.21185	0.6
283.19046	0.5
304.52151	0.3
309.14651	0.4
313.07581	0.9
325.23825	1.0
327.21783	5.3
345.89642	0.4
415.28763	0.4
428.29126	1.1
443.31680	1.0
444.31894	0.4
446.30334	7.7
447.30576	1.1
454.35257	0.3
460.31906	1.2
461.32672	10.6
462.32916	1.8
475.13055	1.0
488.31387	2.7
489.32269	2.7
492.30438	0.4
506.32602	3.2
507.33243	28.4
508.33633	4.5
669.38586	100.0
670.38867	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
57.03435	1.9
58.00586	1.5
59.01377	30.8
61.98819	0.6
65.84450	0.3
69.03439	0.4
69.54546	2.0
71.01377	26.7
72.99303	2.2
73.02943	6.0
83.01395	4.6
85.02947	11.6
87.00873	2.4
89.02441	13.8
95.01385	2.5
96.95992	0.6
97.02959	0.9
99.00876	2.4
101.02440	20.5
102.02786	0.4
102.45443	0.4
106.55475	0.3
111.00893	2.0
113.02448	9.1
119.03498	4.8
122.02420	0.4
122.18716	0.3
126.80110	0.4
129.01918	0.8
131.03473	0.6
143.03476	0.9
143.10768	1.4
154.98576	0.3
159.02989	1.5
161.04573	2.1
179.05573	1.1
192.48239	0.3
313.27277	0.3
324.05539	0.3
343.28525	1.1
427.71854	0.3
487.32922	1.7
505.33823	9.8
506.34146	0.7
667.39075	100.0
668.28058	0.8
668.39380	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	667.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13336	0.2
50.19073	0.3
55.01874	2.5
57.03442	2.6
58.00593	1.3
59.01377	30.0
60.01701	0.3
61.82683	0.2
61.98814	1.2
69.03445	0.7
70.19186	0.3
71.01379	30.5
72.01713	0.3
72.99291	2.4
73.02550	0.5
73.02941	7.6
75.00876	0.6
83.01384	3.8
84.02150	0.3
85.02944	12.7
87.00873	2.3
88.98823	0.3
89.02442	14.5
95.01385	2.3
96.95982	0.8
97.02931	0.8
98.20683	0.4
99.00878	2.6
101.02438	21.1
102.02779	0.4
111.00882	1.6
113.02444	10.7
115.00375	0.4
119.03490	4.7
120.77015	0.3
125.02399	0.9
129.01933	0.7
135.04457	0.3
141.01915	0.3
143.03471	0.7
143.10756	1.1
148.30612	0.3
149.04591	0.4
159.02931	1.2
161.04532	2.1
179.05595	1.2
223.13336	2.5
228.27264	0.3
235.08133	0.3
313.27490	0.4
343.28558	1.5
397.13504	1.9
415.14505	0.8
487.32455	0.9
505.33844	11.3
506.33813	1.5
621.12445	0.3
621.27515	0.6
667.39050	100.0
668.31006	0.6
668.39392	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	667.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
55.17057	0.9
57.03441	2.7
58.00585	2.1
59.01380	43.0
61.67353	1.0
61.98835	6.9
64.20738	1.1
67.83921	0.9
69.03457	8.4
71.01379	38.2
72.01707	1.1
72.21665	1.0
72.99300	3.4
73.02951	5.8
77.07238	0.9
78.95917	1.0
81.03471	1.6
83.01385	3.5
85.02950	7.1
87.00886	7.0
88.98820	1.1
89.02438	26.9
95.01381	2.1
96.96011	7.8
97.02949	5.3
99.00855	2.8
101.02437	26.7
109.06631	1.0
111.04503	1.2
111.08158	2.9
113.02437	11.8
115.00379	2.5
119.03499	7.7
125.02463	7.6
131.03474	2.0
133.01411	2.9
135.08168	1.4
143.03493	3.3
149.04491	1.3
153.09210	2.1
157.08685	1.1
161.04559	5.1
165.09116	1.6
165.12819	7.9
179.05618	4.6
181.12329	10.4
191.10742	14.0
192.11104	1.9
209.11819	100.0
210.12097	6.0
210.40697	1.1
221.06680	1.9
226.88562	1.0
234.87517	0.9
235.08270	7.6
253.09393	1.5
284.03119	1.1
287.07822	1.6
295.34827	1.1
305.08774	2.6
397.13483	86.3
398.13907	6.6
415.14560	37.2
416.14865	2.5
563.30347	2.5
581.31677	1.3
589.98737	1.0
607.25818	37.9
607.33099	2.9
608.26276	4.8
625.34509	6.2
667.38544	5.3
668.28363	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	667.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.3
57.03435	3.0
57.98668	1.1
58.00603	1.3
59.01377	72.3
61.98832	5.1
69.03457	2.0
69.06426	1.0
69.35912	5.2
69.36335	4.2
71.01378	59.8
72.99297	3.4
73.02943	14.3
75.00901	1.4
82.16344	1.2
83.01379	8.3
85.02942	24.5
87.00838	7.0
89.02444	24.0
95.01386	5.7
96.95994	8.2
97.02962	3.7
98.19846	2.1
99.00878	5.3
101.02439	33.6
104.09422	1.2
105.01904	3.2
107.53765	1.2
111.00873	3.4
112.01649	2.1
113.01708	2.0
113.02440	23.1
119.03505	7.4
121.96733	1.1
124.01671	1.5
125.02440	5.2
131.03491	1.3
135.04506	1.2
143.03481	3.3
157.79424	1.3
159.02966	2.3
160.51842	1.3
161.04521	5.5
179.05615	2.4
209.11806	3.7
227.12898	1.4
284.03082	1.5
401.25375	4.4
419.26413	12.3
420.27252	2.1
563.30676	100.0
564.30975	12.3
570.18286	1.5
581.31720	86.3
582.32227	10.2
623.32684	25.9
624.33173	3.9
667.37811	30.9
668.37885	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	665.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.7
57.03448	3.8
58.00583	1.2
59.01377	77.1
65.86880	0.8
69.18098	7.6
71.01378	56.3
71.92129	0.7
72.01694	1.1
72.99298	3.3
73.02946	11.9
81.36079	0.7
83.01382	5.7
85.02943	21.1
87.00862	3.8
87.04526	1.8
89.02442	21.3
95.01395	6.1
96.96014	1.2
97.02949	1.4
99.00865	4.7
101.02441	32.6
102.02761	0.8
106.08540	0.8
112.01653	1.1
113.02448	28.8
119.03477	6.7
124.01606	1.2
125.02424	2.8
127.11160	0.7
129.01941	1.9
131.03444	0.8
138.19475	0.9
143.03479	3.5
145.22264	0.7
159.02980	1.8
161.04575	7.6
179.05548	1.7
183.20813	0.7
275.54224	0.8
341.48590	0.9
366.86066	0.8
399.23892	7.3
417.24826	6.6
561.29126	100.0
562.29498	14.4
579.30157	69.4
580.30475	8.3
621.31250	30.5
621.39581	0.6
622.31543	3.8
643.86713	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01718	0.7
61.98835	0.5
70.27473	0.2
70.27811	0.7
71.01387	0.4
93.88944	0.2
95.97287	0.2
115.00437	0.3
133.02965	1.2
134.03842	0.2
135.04544	0.2
137.02496	0.2
150.75111	0.2
177.01982	1.0
178.02702	1.3
203.50525	0.3
231.10327	0.3
261.28513	0.2
268.06302	0.2
275.09262	1.2
502.70883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93687	0.6
56.64467	0.6
57.59388	0.5
59.01380	17.2
61.98833	1.4
64.04166	0.5
64.09518	0.5
69.08822	0.5
69.17232	4.7
71.01387	1.2
78.95904	26.3
85.06593	1.1
96.96018	0.7
105.72749	0.5
122.98524	1.0
152.99582	5.9
165.12836	1.2
168.04283	4.8
181.12303	0.7
199.13387	14.3
200.13576	0.6
220.99213	0.6
224.06934	9.6
242.08034	1.6
247.92299	0.5
253.30544	0.6
261.18530	0.6
262.12015	0.6
274.39026	0.5
279.19608	7.9
280.20059	0.6
329.24020	0.5
347.25839	4.5
363.25345	0.8
365.26932	76.4
366.27213	6.8
486.27975	0.6
518.11255	0.7
519.27130	2.2
590.34613	100.0
591.34918	14.7
605.30756	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.2
57.03440	3.2
58.00592	1.6
59.01379	67.8
60.01704	0.6
61.98845	0.7
65.25525	0.7
71.01382	49.5
72.01733	0.7
72.99303	2.7
73.02944	10.1
75.00861	1.3
83.01388	5.4
85.02454	1.6
85.02950	20.8
87.00889	4.6
87.04512	1.7
89.02443	25.0
95.01385	6.0
96.96001	3.1
97.02917	2.0
98.19878	2.7
99.00867	4.4
101.02443	30.9
102.06345	0.7
111.00913	1.0
112.01678	0.8
113.02445	26.8
114.02724	0.7
119.03506	9.0
119.04841	0.8
125.02450	5.7
129.01909	1.3
131.03482	0.8
132.50279	0.7
137.02435	0.9
143.03470	4.2
146.98465	0.7
148.35587	0.7
159.02965	1.9
161.04572	8.2
179.05638	1.9
284.03192	1.1
299.05640	1.1
378.08624	0.7
399.23837	4.2
417.25003	6.4
525.27148	0.9
561.29126	100.0
562.29443	11.6
579.30176	67.3
580.30487	9.1
599.66077	0.8
621.31183	20.9
622.31598	3.1
665.34320	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	661.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91154	0.1
54.49935	0.1
59.01382	1.3
61.98825	0.4
69.03415	0.1
70.80798	0.1
71.01383	1.1
71.55209	0.2
72.99281	0.1
73.02957	0.3
78.95898	0.5
79.95738	3.2
80.96517	0.2
83.01385	0.2
85.02950	0.9
89.02440	0.3
94.94314	0.1
95.01322	0.1
96.96010	100.0
97.02943	0.2
97.95943	0.3
98.95604	0.2
100.93089	0.1
101.02454	0.5
113.02451	0.3
115.00337	0.1
116.92849	0.3
121.03042	0.1
129.01952	0.2
133.01443	0.2
133.43282	0.1
134.03745	0.2
141.01891	0.2
171.10277	0.2
185.00919	0.2
209.02934	0.1
235.17099	0.4
257.12994	0.1
260.18713	0.1
262.72476	0.1
291.00568	0.1
301.11896	0.2
324.94174	0.1
327.21741	0.1
402.24817	0.1
413.22018	0.5
455.22858	4.1
456.23282	0.5
499.29044	0.3
661.23224	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.0
59.01102	1.2
59.01376	13.5
61.98817	2.5
71.01379	11.1
71.54259	0.9
72.99286	1.0
73.02948	0.8
76.20612	0.8
83.01371	1.1
85.02936	2.6
85.06583	6.6
89.02442	10.8
96.96021	5.0
101.02444	8.0
113.02473	4.3
113.06090	2.0
115.07629	1.0
119.03552	3.4
119.05023	10.3
120.05389	0.7
131.07143	31.3
132.07469	1.2
133.01457	1.2
135.04497	0.9
151.03995	2.4
163.04031	10.6
179.05556	1.4
185.02170	1.0
190.54237	0.7
201.11447	0.9
293.12415	100.0
294.12650	5.4
313.09039	1.1
325.09195	1.7
335.07257	0.9
335.13309	0.9
466.95139	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.2
59.01105	0.3
59.01378	3.9
61.98828	0.5
69.03446	0.2
71.01378	2.8
72.99326	0.2
73.02928	0.9
78.95905	0.5
79.95734	3.2
82.45470	0.2
83.01382	0.3
85.02940	1.6
87.00909	0.2
89.02434	0.7
95.01373	0.2
96.96009	100.0
97.02969	0.4
97.95975	0.3
98.95557	0.2
99.00865	0.5
101.02431	1.3
113.02458	1.0
115.00373	0.3
116.92870	0.3
119.03514	0.3
129.01851	0.2
133.01373	0.2
143.03481	0.2
161.04614	0.2
184.12358	0.2
185.00858	0.2
193.05023	0.3
200.70451	0.2
235.17027	1.5
251.16481	0.5
257.13086	0.3
301.11850	0.5
378.46301	0.2
395.20773	0.5
413.21802	1.3
437.22174	0.2
455.22833	13.1
456.23331	1.4
499.29303	0.7
500.29013	0.2
661.24707	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38871	1.9
59.01376	16.7
61.98829	19.1
69.03423	2.7
69.18098	4.2
69.18516	12.3
69.75975	1.8
71.01378	11.2
73.02938	3.5
75.00746	2.0
79.95733	2.8
80.96506	6.3
81.24409	1.6
85.02935	5.9
87.00859	1.7
89.01932	1.9
89.02425	7.9
94.98068	3.0
96.96001	23.5
97.02917	3.6
99.00844	4.8
101.02415	6.0
113.02438	4.6
115.00352	2.2
119.03486	1.7
121.02905	2.6
125.02435	2.9
130.17329	1.7
135.04402	2.0
151.06331	2.8
152.07120	3.2
153.01816	2.3
161.04570	2.5
163.11205	2.9
179.03380	1.9
181.12321	5.1
191.05579	2.2
207.10275	17.8
209.11809	2.0
211.13350	21.8
212.13695	9.5
225.11299	35.2
226.11615	2.9
243.12314	7.7
397.13617	8.6
415.14490	2.7
447.21951	4.9
448.22351	6.0
450.30075	1.7
527.16772	2.4
599.29065	7.8
623.25525	100.0
624.26038	12.3
659.23267	87.0
660.23724	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	659.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59865	0.5
55.29903	0.4
56.76721	0.4
59.01377	100.0
60.01717	0.8
61.90392	0.4
61.98824	2.3
65.23414	0.4
71.54926	0.6
89.89751	0.5
249.47729	0.5
273.88721	0.5
296.03244	0.5
337.84531	0.5
358.27710	0.5
385.58685	0.5
387.17728	0.5
541.36902	0.8
543.14117	0.6
635.54315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88299	0.3
59.01379	100.0
60.01719	0.7
61.98835	0.6
62.32629	0.4
68.01221	0.3
69.98503	0.3
70.76411	1.0
78.95911	0.4
86.97333	0.4
106.21265	0.3
152.99609	0.5
159.15550	0.3
213.17340	0.3
360.98166	0.3
407.41498	0.3
437.12372	0.3
505.00638	0.3
544.18915	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	16.1
61.98817	4.8
68.99837	1.6
69.03469	2.2
69.39057	13.0
70.81808	1.6
71.01380	13.9
73.02947	2.0
73.51790	1.3
80.96517	3.2
81.03459	2.0
83.01409	1.5
83.05029	5.1
85.02959	4.2
87.00871	3.2
89.02442	10.9
96.96002	9.1
97.02946	2.0
98.19886	2.1
101.02456	12.4
113.02453	5.2
119.03502	3.8
121.02950	25.5
125.02448	4.6
130.08717	2.2
133.02931	3.5
135.04480	1.8
137.02417	4.0
143.03543	1.7
157.08728	1.8
161.04500	4.3
161.42116	1.7
163.11259	3.1
165.01811	2.0
173.54378	1.5
174.01668	3.5
179.05591	4.9
195.06499	1.7
209.04514	24.6
209.11810	96.1
210.12141	3.2
227.12848	31.6
235.08182	5.5
247.15091	1.8
287.07587	3.3
305.08829	2.2
319.14044	2.8
397.13483	100.0
398.13831	7.3
415.14566	34.8
416.15005	2.7
472.72021	2.0
499.78638	2.0
607.26019	17.5
608.26636	2.9
625.27112	4.2
638.34851	1.7
651.02484	1.8
661.24731	51.2
661.35706	2.5
662.24121	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	659.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68012	0.3
59.01376	67.5
59.17206	0.3
60.01700	0.5
60.20487	0.3
64.90710	0.4
69.29391	2.6
69.29797	0.7
70.46346	0.4
72.08316	0.4
90.97133	1.1
98.20660	0.7
118.96629	0.5
132.98192	1.8
150.94765	1.1
157.03519	1.6
159.01448	0.7
174.99232	25.5
176.98051	0.4
192.95844	9.4
200.39905	0.4
201.02538	16.4
202.02701	0.7
217.00281	100.0
218.00584	2.3
338.48798	0.4
343.03586	1.1
359.01434	33.8
360.01685	3.1
374.99173	48.5
375.99707	2.0
376.04276	0.5
517.00372	10.8
518.00488	1.4
523.59460	0.5
656.92157	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02556	0.5
57.03441	2.1
57.75510	0.5
59.01386	4.2
61.50757	0.6
61.98835	4.4
62.69361	0.5
64.27705	0.5
65.00316	1.6
68.99566	1.0
69.03448	0.7
70.84064	0.8
71.01382	3.5
73.26151	0.5
79.95721	1.6
80.96516	2.1
83.01398	1.0
85.02969	1.5
87.00884	1.2
89.02471	1.3
93.03497	0.6
96.96016	33.6
98.95578	0.9
99.04509	0.7
101.02445	1.7
107.01382	2.5
112.98585	1.2
113.02448	0.9
115.00371	1.2
121.06664	0.7
122.03741	0.7
122.06121	0.8
125.02455	15.1
133.01418	0.8
134.03719	0.6
135.04524	2.0
136.05312	30.9
136.07632	0.9
137.02440	0.7
137.06061	1.1
147.08148	0.8
149.02423	0.7
149.06100	7.9
150.06870	5.1
151.00375	6.2
155.10760	0.7
162.06906	2.1
163.07669	2.1
164.08447	3.9
165.02020	0.6
165.09233	14.0
166.09605	0.5
167.03502	1.2
172.05302	0.7
174.03148	0.6
185.06134	0.8
186.06979	0.8
187.07631	0.6
209.11816	3.8
211.13432	8.2
212.04675	0.8
214.12424	1.2
241.09579	0.7
242.10524	0.8
253.09261	1.2
255.02991	0.9
257.12939	7.4
283.22842	0.6
284.03217	1.7
289.21640	2.2
296.03284	1.0
297.03839	0.6
297.15005	3.5
301.11893	8.4
303.29102	0.5
309.04086	1.5
315.15936	2.2
325.14340	1.0
329.23315	6.2
333.20773	4.3
341.13785	1.4
343.15533	4.0
353.14383	0.5
355.12732	0.7
367.15622	1.5
369.13422	8.4
380.93900	0.7
391.15482	1.9
416.29205	0.9
431.31607	1.1
434.30325	3.7
447.22409	0.8
448.31931	1.0
449.32681	16.8
450.32974	1.6
467.16995	1.7
476.31601	1.7
477.15192	3.1
477.32272	3.3
494.32449	3.6
495.16769	13.7
495.26022	2.4
495.33191	30.3
496.16830	2.2
496.33881	2.6
512.31439	0.6
537.18054	0.8
600.56366	0.5
625.23700	0.6
639.20770	1.5
657.22034	13.7
657.38550	100.0
658.22693	2.9
658.38879	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	657.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.3
59.01382	8.2
61.98826	15.6
65.03931	0.7
69.03440	1.5
71.01376	6.0
71.48608	0.6
75.00877	0.8
78.95904	3.7
79.95720	1.6
80.96507	1.1
82.79776	0.6
83.01399	0.6
83.05030	3.3
85.02934	1.7
85.06572	2.3
87.00874	0.8
89.02439	2.2
95.05047	0.9
96.96005	10.9
97.02950	0.8
97.06576	2.4
97.92827	0.7
101.02430	4.1
109.06595	1.1
111.00870	1.1
111.08139	2.2
113.02421	2.5
121.02943	0.8
123.08170	1.3
124.47974	0.6
125.02409	1.4
125.09718	11.1
127.11221	0.7
131.62756	0.6
134.03651	0.9
135.08145	0.7
152.99557	2.0
153.09184	0.7
161.04564	1.3
171.10266	17.5
177.12782	0.7
181.12363	0.8
183.13898	1.4
185.74434	0.7
186.64413	0.6
187.14854	0.9
193.02492	0.6
197.11752	0.7
201.12793	0.6
205.15927	3.0
207.13898	1.0
209.11836	5.4
211.13393	11.3
215.12639	1.1
215.14417	1.8
221.07820	0.9
221.15535	1.3
225.11311	0.9
231.13759	1.6
233.15448	38.6
234.15735	3.3
241.01207	1.4
249.14914	6.0
251.16467	1.9
253.09288	2.2
255.02962	19.6
256.03589	2.8
283.02502	15.2
284.03177	9.8
285.03922	4.2
313.03314	1.3
313.25537	1.0
327.21692	1.2
331.26373	2.4
341.24805	2.1
357.23959	0.8
359.25653	1.6
367.22534	1.7
375.25345	2.2
377.27094	1.4
385.23877	7.6
386.24072	1.2
398.15518	0.7
400.26611	0.6
403.24930	20.6
404.25079	1.7
421.25970	10.0
422.26117	1.0
442.96561	0.7
446.08514	17.3
447.09030	2.0
471.15143	2.0
487.15671	1.0
490.01965	0.7
495.16660	7.0
496.16306	1.0
541.16083	0.8
543.18085	0.7
639.33826	34.7
640.34216	4.6
657.34784	100.0
658.24316	1.1
658.35077	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	657.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39566	0.6
57.03440	1.5
59.01383	7.2
60.16013	0.5
61.98545	0.8
61.98829	11.0
64.07367	0.5
65.03944	0.7
68.99553	0.5
69.03444	1.6
70.44867	1.4
71.01385	5.7
72.99284	0.7
75.00860	0.8
78.95894	2.5
79.95728	1.0
80.96516	1.6
83.01395	1.0
83.05029	3.4
85.02938	1.6
85.06586	1.5
87.00883	1.1
89.02452	3.2
95.04996	0.7
96.96012	9.2
97.02968	1.0
97.06573	2.7
101.02435	2.8
107.08677	0.6
109.06570	1.0
111.00820	1.3
111.08121	2.2
113.02428	2.0
119.05003	1.1
121.02903	1.0
123.08148	1.4
125.09731	7.8
127.11288	0.6
131.04994	0.6
133.01387	0.8
135.04500	0.8
135.08203	0.9
137.09712	0.9
148.52954	0.7
152.99582	2.1
161.04512	0.9
163.11302	1.0
169.12192	0.7
171.10258	15.1
178.72346	0.6
181.12294	0.9
185.11823	0.6
187.15047	1.3
189.16420	1.1
205.15924	2.2
207.10300	0.6
207.13914	0.7
209.11807	5.1
211.13408	8.9
215.14343	2.2
221.07916	0.7
221.15356	1.4
225.11292	0.8
231.13853	1.5
231.21117	0.7
233.15451	34.9
234.15759	2.6
236.39832	0.6
241.01186	1.3
244.02264	0.6
249.14970	7.0
251.16310	1.4
253.09222	2.3
255.02969	14.6
256.03525	1.7
283.02472	10.7
284.03238	7.7
285.03845	2.3
313.03574	1.1
315.04410	0.8
315.26883	0.8
323.23740	0.7
327.21692	0.9
331.26233	2.3
341.24774	2.7
359.25818	2.5
367.22623	1.8
375.25284	1.3
377.27097	1.1
385.23840	8.3
393.26703	0.7
403.24884	17.9
404.25323	1.6
421.25980	9.0
422.26175	0.8
446.08539	16.9
447.09039	2.5
471.15512	1.4
487.15814	1.0
495.16660	6.3
496.16690	0.7
639.33832	32.9
640.34460	4.4
657.34814	100.0
658.24286	1.1
658.35114	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	657.313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22200	0.4
55.66037	0.3
57.88562	0.3
58.00581	0.7
59.01379	2.9
61.98830	2.6
62.54574	0.3
63.43075	0.4
68.51907	0.3
68.74762	0.3
68.99576	0.6
71.01394	1.8
71.55354	0.6
78.95920	0.5
80.96527	0.6
85.02970	1.2
89.02461	1.1
92.36399	0.4
96.96009	11.7
99.04508	0.5
101.02461	0.7
111.00902	0.6
112.98573	1.1
113.02438	1.7
119.03581	0.4
130.26311	0.4
151.00378	0.3
164.03833	0.3
165.09258	0.5
166.09492	0.4
171.10202	0.4
209.11821	0.5
211.13399	1.9
218.40765	0.4
233.15463	2.3
255.02888	1.6
273.18579	10.4
274.18951	0.6
283.02557	1.1
284.03159	0.6
289.21680	3.5
315.19632	24.9
316.20026	2.8
327.21722	1.4
328.22168	0.8
333.20691	100.0
334.21017	9.5
345.21530	0.4
347.22305	4.6
375.21704	5.9
376.21912	0.5
435.24213	0.6
446.08481	0.9
495.25989	71.7
496.26385	7.7
657.22388	0.5
657.28601	0.4
657.38666	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	655.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17238	0.4
59.01378	100.0
60.01706	0.8
61.98834	1.3
71.01391	0.9
72.42006	0.4
78.95914	0.6
96.99323	1.1
98.20745	1.0
121.81065	0.4
122.96959	0.4
141.01698	64.6
142.01982	0.8
149.48674	0.4
253.09030	0.5
254.11958	0.4
275.06326	1.9
277.21765	2.4
319.65399	0.4
335.08780	0.6
359.21945	1.4
391.19571	0.9
535.27740	1.9
570.63800	0.4
595.29681	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13711	1.0
57.03442	6.6
59.01355	3.6
61.61592	1.2
61.98830	6.0
62.23216	1.0
62.57109	0.9
63.02387	1.8
65.00320	10.4
69.03433	1.5
71.01356	4.9
71.54851	1.3
78.95914	6.2
78.96310	1.4
79.95744	6.3
80.96519	6.5
83.01391	6.2
85.02936	1.3
87.00846	1.6
88.98824	1.3
94.98085	2.7
96.96011	22.7
96.96653	1.4
96.96932	2.2
107.00697	1.5
107.01380	14.5
107.12381	1.0
115.00337	1.6
117.98205	1.3
121.02924	1.8
123.04469	1.6
125.02445	75.1
126.02777	1.5
127.90855	1.1
133.01401	2.7
134.03668	1.4
137.02415	2.2
148.98984	1.2
149.02335	1.4
151.00371	35.6
152.99577	2.5
158.03641	1.3
161.02399	1.8
165.01917	2.2
167.03476	5.4
167.53409	1.0
171.10188	3.1
172.05232	4.5
174.03162	2.0
175.00157	1.5
176.85487	1.1
184.58086	1.3
185.06004	1.7
186.06793	5.8
199.03894	1.3
199.07759	1.3
200.04688	1.5
209.04425	1.2
209.11821	1.1
211.03964	1.3
211.13292	3.0
212.04816	7.8
223.07545	1.2
225.14830	2.6
228.04176	1.6
239.03339	1.1
240.04305	2.8
241.01088	2.3
244.03357	1.4
255.02939	2.4
255.14105	1.2
256.03638	1.3
275.09351	2.0
281.15402	1.4
283.02393	1.5
284.03189	8.1
295.02347	1.4
296.03049	3.1
297.04172	1.5
297.14954	14.5
298.04111	1.1
298.14929	1.4
309.04059	7.7
310.04190	1.4
315.15994	14.4
323.12817	1.7
325.14417	7.9
337.03275	2.5
339.16025	1.7
341.13956	7.6
341.23117	2.0
343.15494	23.0
344.15469	2.2
349.14304	1.9
351.12262	1.7
367.15500	9.9
369.13382	46.1
370.13660	3.7
381.16827	1.5
391.11282	1.1
391.15540	10.2
394.00638	1.3
433.16187	3.7
449.15903	5.7
451.13715	1.2
459.14041	2.2
467.17017	9.7
468.17215	1.6
471.15094	4.5
477.15656	18.6
477.22205	2.6
478.15887	1.9
495.16617	100.0
496.17044	10.4
497.44562	1.2
501.14801	1.6
519.16388	2.4
527.17603	1.5
537.17511	4.1
543.16577	1.4
639.20782	14.4
640.20416	2.1
657.21545	91.6
658.21960	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	655.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73384	0.4
54.67609	0.4
57.63637	0.5
58.74660	0.4
59.01381	100.0
60.01715	0.5
61.98831	1.2
63.60067	0.4
66.01398	0.4
71.01383	0.7
71.19699	0.4
78.95897	0.5
85.74032	0.4
93.37220	0.5
95.51319	0.4
96.96013	0.8
96.99307	1.4
98.20654	1.2
101.00938	0.5
129.85144	0.6
141.01706	71.3
142.02065	0.8
142.05127	1.0
205.97159	0.5
253.09038	0.6
257.05252	0.8
275.06183	2.9
277.21729	1.9
317.07361	0.8
317.11069	0.5
359.21893	1.4
391.19592	2.7
423.61838	0.5
535.27783	3.9
536.27582	0.9
595.29761	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
59.01370	3.5
61.98838	1.9
64.41402	0.8
69.03442	3.3
71.01380	4.5
71.55520	1.0
73.02957	1.7
78.95897	1.2
83.05013	1.8
85.02943	1.2
87.00844	1.1
88.98811	4.7
96.95995	1.5
101.02429	1.2
105.01936	1.2
108.05841	1.1
115.00347	1.3
115.07613	1.0
119.08652	5.3
125.09704	3.8
127.07617	4.3
127.11255	2.0
135.04498	1.5
135.08142	2.3
137.09724	17.7
139.07613	1.6
153.09177	2.4
155.10692	1.0
163.11296	1.8
171.10265	69.2
172.10582	2.2
185.11789	5.7
187.07521	1.6
195.95009	0.9
197.11877	6.0
199.09720	1.5
201.11276	13.3
207.10239	2.3
209.11810	23.0
210.12154	2.0
211.13493	0.9
213.11197	1.2
225.11137	1.1
231.10193	1.6
238.12114	2.4
256.13327	1.1
275.09152	3.3
289.18021	2.1
291.19708	2.5
307.19116	30.5
308.19577	3.6
309.20752	6.5
310.21091	1.0
317.46921	0.9
325.20154	34.8
326.20511	5.6
327.21729	100.0
328.22125	8.9
447.21939	1.0
653.31445	1.4
653.40924	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	653.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03439	1.1
58.00595	2.1
59.01381	36.4
60.01743	0.3
61.98835	1.3
68.99832	0.4
69.03465	1.7
69.22723	0.3
69.58588	0.2
69.91980	0.3
71.01382	36.4
71.55060	0.5
71.65446	0.3
72.01714	0.6
72.99311	2.4
73.02944	5.6
75.00864	1.0
78.95921	0.4
81.03440	1.7
83.01385	4.5
85.02953	7.3
86.00137	0.4
87.00876	8.9
87.04540	0.4
89.02444	31.7
90.02777	0.5
91.03991	0.8
93.03461	0.6
95.01386	2.5
95.05016	0.4
96.96057	0.3
97.02944	6.0
99.00883	2.6
99.04521	0.5
101.02441	29.2
102.02753	0.6
103.04028	0.6
109.02963	0.6
111.00891	0.6
111.04542	1.0
113.02448	13.9
115.04006	0.6
119.03504	9.7
121.02953	0.4
123.04533	0.5
124.01682	0.6
125.01522	0.7
125.02444	12.6
127.03960	0.4
131.03537	1.4
133.05052	1.0
137.02440	0.4
139.00397	0.5
139.03995	1.0
141.01898	0.4
143.03499	5.8
149.04539	0.7
151.04005	0.3
152.99617	0.6
155.03477	0.3
161.04564	6.9
167.03508	0.9
169.05031	0.4
171.02983	0.4
179.05595	6.5
181.05048	0.3
185.04518	0.6
199.06059	0.7
205.03329	0.3
217.07185	1.1
219.05023	0.5
221.06662	2.1
227.05472	0.3
235.08218	15.2
236.08652	0.6
237.22183	0.5
245.06619	0.8
253.09241	3.7
254.09808	0.3
255.23282	100.0
256.21036	0.5
256.23621	7.6
263.07651	1.6
269.24854	0.6
277.09259	1.1
287.07675	3.8
293.08871	0.3
305.08798	5.2
306.09198	0.3
323.09799	2.1
361.11346	0.9
379.12350	1.1
397.13483	99.6
398.13824	7.1
405.52829	0.3
415.14554	36.5
416.14963	2.5
417.14984	0.5
595.29041	0.6
602.62512	0.3
653.27142	0.4
653.37622	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.7
59.01376	3.3
61.98819	1.2
63.33784	1.1
64.27950	1.1
69.81168	2.4
69.81563	5.2
71.01370	6.6
72.99303	2.8
73.02931	1.7
83.05016	4.2
84.02154	1.9
85.02969	1.8
87.00867	1.4
96.96024	1.8
97.02949	2.7
97.06590	2.2
98.20525	1.5
99.08211	1.6
105.01933	13.3
105.85536	1.1
109.06566	2.8
123.04468	1.2
125.09700	5.1
127.07656	9.4
135.08168	1.4
139.07645	3.0
153.09207	6.5
155.10800	2.3
163.11279	5.0
165.12843	1.8
170.68237	1.1
171.10289	9.0
178.09917	1.7
185.11810	13.8
197.11839	11.4
207.10257	2.3
209.11819	52.4
210.12144	2.8
211.13557	2.3
211.20377	1.2
225.11232	1.7
238.12048	3.5
245.19196	2.5
256.13083	3.4
283.02451	1.2
289.18051	11.0
307.19147	86.1
308.19434	5.6
316.44012	1.4
325.20169	100.0
326.20462	6.7
585.97711	1.5
651.37750	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	652.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	10.0
59.01380	0.8
62.66326	0.3
63.57048	0.3
66.22000	0.3
69.52594	2.4
70.02978	4.2
70.03336	0.5
71.01389	0.6
72.00909	2.7
72.43710	0.4
84.04373	0.4
91.05520	3.0
96.96012	1.9
103.05543	0.4
107.68105	0.4
115.00385	0.4
121.13019	0.3
135.04512	0.9
147.04512	20.1
148.04854	0.5
162.09216	0.9
164.07155	54.6
165.07523	2.5
177.01991	0.4
206.08202	100.0
207.08545	5.0
249.07782	0.4
250.07164	1.0
277.06223	0.4
401.14410	0.6
416.76886	0.3
536.14276	0.4
652.18634	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.4
56.67257	0.2
57.03442	1.2
58.00595	2.1
59.01380	39.5
61.98832	0.4
67.01923	0.2
68.99820	0.6
69.03461	2.3
71.01381	36.7
72.01715	0.5
72.99305	3.4
73.02947	6.4
73.03355	0.3
75.00870	1.1
78.95895	0.5
81.03468	2.1
83.01383	4.7
83.05032	0.4
85.02956	8.5
86.00091	0.4
87.00879	9.5
87.04549	0.2
89.02446	31.6
90.02783	0.5
90.25240	0.2
91.04018	0.7
93.03465	0.6
95.01391	2.7
95.05022	0.2
97.02953	6.6
97.03579	0.4
99.00879	1.9
99.04531	0.6
101.02445	29.7
102.02789	0.5
103.04017	0.4
109.02979	0.8
111.00898	0.6
111.04543	1.5
112.01669	0.2
113.02454	14.5
115.04031	0.8
118.27435	0.2
119.03503	9.3
121.02951	0.5
123.00922	0.3
123.04527	0.4
124.01685	0.4
125.02451	12.7
126.02802	0.2
127.04012	0.7
129.01965	0.3
131.03513	1.4
133.05089	1.2
137.02446	0.4
139.04033	1.0
141.01929	0.8
142.02696	0.2
143.03497	5.9
149.04543	1.0
151.03983	0.3
152.99664	0.2
155.03517	0.2
157.05058	0.3
161.04552	6.9
167.03497	0.9
169.05061	0.6
171.02953	0.4
179.05612	6.0
185.04556	0.5
199.06165	0.5
201.24698	0.2
203.05603	0.3
217.07208	1.4
219.05135	0.6
221.06648	2.1
235.08226	13.8
236.08572	0.5
237.22173	0.2
241.01088	0.2
245.06682	0.7
253.09279	3.1
255.23286	100.0
256.23618	6.7
259.08344	0.2
263.07666	1.5
269.24835	0.7
277.09323	0.8
279.23276	0.4
287.07761	3.7
305.08740	4.5
306.09067	0.3
323.09845	2.2
360.08130	0.2
361.11371	0.8
379.12531	1.2
379.57425	0.2
397.13477	96.3
398.13818	6.3
398.19217	0.3
415.14548	33.1
416.14825	1.8
471.34888	0.5
595.28729	0.8
653.37695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	20.9
59.81113	18.5
61.98841	100.0
66.38610	18.5
69.77018	91.2
69.77423	40.4
70.97533	19.3
98.20641	28.1
120.52093	21.7
139.70238	18.7
146.96500	25.6
147.79500	18.3
152.99687	22.7
322.92313	20.2
615.40558	22.2
629.71588	25.2
638.40680	26.6
650.08081	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	651.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.0
58.00591	3.8
59.01377	71.0
61.98841	1.5
65.96301	0.9
69.03452	10.7
69.43226	5.6
71.01381	80.5
72.99308	3.9
73.02945	9.5
75.00864	3.5
79.95732	0.8
81.03460	4.8
83.01385	4.2
85.02953	8.6
87.00868	1.9
87.80203	0.7
89.02441	100.0
90.02780	1.6
93.03505	1.0
95.01429	1.9
96.96016	15.7
97.02943	13.4
99.00875	18.2
99.04511	2.1
101.02438	17.1
109.02954	1.2
111.00882	1.9
113.02458	9.6
115.03998	7.9
117.01905	0.8
119.03498	2.5
119.05048	0.8
121.02969	1.3
122.02473	2.5
123.00905	0.8
124.73536	0.9
125.02442	52.7
127.03966	1.1
131.03503	12.4
135.04582	1.2
136.01656	30.4
137.02477	1.4
143.03491	4.7
145.80408	0.9
149.04547	19.9
151.04004	25.8
155.10771	1.7
158.40724	0.8
161.04602	1.7
163.04137	0.9
173.04579	0.9
179.03464	1.1
185.00990	1.3
191.05606	14.0
199.09828	1.3
211.13388	1.6
233.06636	48.7
234.06972	1.5
284.03314	2.0
285.04022	3.1
286.04422	0.8
293.08755	71.8
294.09094	3.4
327.12274	1.7
357.13486	5.8
447.09415	2.9
447.22662	1.1
465.27005	1.0
509.01013	0.8
598.28986	1.8
651.22778	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41100	0.6
54.93839	0.6
55.01870	1.4
57.03448	1.6
58.00591	3.9
59.01377	69.9
60.01730	1.0
61.98825	1.4
64.33417	0.8
64.65555	0.7
69.03455	11.0
69.81392	3.5
71.01378	82.3
72.01703	0.7
72.99309	4.2
73.02948	10.3
75.00864	3.6
79.84014	0.6
79.95733	1.4
81.03443	4.1
83.01392	5.1
85.02947	9.7
87.00872	2.8
88.98788	0.9
89.02441	100.0
90.02748	1.0
93.03435	0.7
95.01377	3.8
96.96008	41.2
97.02940	13.6
98.95566	0.7
99.00875	20.1
99.04514	2.7
101.02437	17.5
107.01375	0.9
109.02912	0.9
111.00858	2.4
113.02452	8.1
115.00365	0.8
115.03998	8.5
117.01950	0.8
119.03510	2.4
119.05049	1.5
120.01243	0.7
121.02940	2.8
122.02470	7.1
123.02836	1.4
125.02440	58.0
126.02769	1.1
127.03968	1.9
131.03488	15.6
131.25575	0.7
133.01456	1.5
135.04532	1.2
136.01653	29.3
137.02417	1.1
143.03510	4.4
149.04546	20.1
151.04001	24.1
153.09184	0.8
155.10753	4.6
161.04549	2.3
163.04007	2.4
173.04498	1.3
179.03494	1.2
179.96387	0.7
185.00897	1.6
191.05592	11.7
197.08015	0.7
199.09700	4.7
203.12810	1.4
206.10590	0.7
209.11833	0.8
211.13461	1.2
215.05521	0.9
233.06644	45.6
234.06992	1.7
284.03381	1.2
285.04044	4.0
291.03452	1.2
293.08768	75.5
294.09155	3.1
309.07571	0.9
327.12466	1.7
341.23575	0.9
342.11072	1.6
357.13412	6.1
361.14954	1.3
447.09305	5.3
447.22281	1.6
465.26944	1.6
487.24805	0.8
489.13889	0.8
518.60797	0.7
535.25049	1.1
598.28723	1.7
607.33063	2.1
651.23108	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	648.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27245	0.3
58.75308	0.3
61.40263	0.4
61.98829	100.0
63.54152	0.3
71.54855	0.3
71.55278	0.3
77.89000	0.4
83.71996	0.3
104.31761	0.3
113.33110	0.3
167.60646	0.3
215.25902	0.3
289.18262	0.3
323.91705	0.3
363.05823	0.3
582.52917	0.3
596.70300	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28531	3.0
54.67917	3.7
57.03439	4.4
59.01370	12.1
61.98827	12.7
66.07034	3.3
69.03448	3.7
71.01380	90.6
71.05024	3.2
71.54950	3.8
73.02958	5.0
75.13846	3.5
78.95881	4.5
80.02675	3.5
81.03460	7.2
83.05011	8.8
89.02458	4.8
96.96018	4.9
97.02938	9.0
97.06581	15.6
102.94659	3.4
105.03466	8.3
105.44537	3.3
109.02954	4.3
109.06583	48.8
115.00373	24.9
121.02951	6.8
125.09726	10.0
133.02956	72.6
134.03734	37.0
135.04520	4.6
135.08128	5.8
137.02429	27.3
137.09711	7.0
139.03989	11.0
142.02649	4.1
151.11295	7.8
153.09183	6.2
163.11296	24.2
165.12782	9.9
171.10309	19.1
177.01913	72.5
178.02701	84.4
179.10658	6.4
181.12285	25.9
191.10800	8.2
199.09746	95.0
200.10124	4.0
207.10237	72.6
208.10533	4.6
209.11819	64.0
211.13455	5.2
225.11308	38.9
231.10294	13.4
245.18988	8.6
275.09268	100.0
276.09741	5.7
289.18085	14.3
289.21170	3.5
307.19141	35.3
321.16736	4.0
341.10883	7.7
465.63330	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	651.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
60.69692	0.2
69.53143	0.9
69.53549	0.4
71.19749	0.2
75.76074	0.2
79.95752	0.3
85.02950	0.2
93.03424	0.4
96.96004	2.8
98.19894	0.4
117.03450	0.3
119.05023	98.0
120.05360	3.3
133.01413	0.3
135.04477	0.3
151.04138	0.2
163.04002	100.0
164.04353	3.8
241.00188	2.9
256.04413	0.3
325.09280	13.7
326.09598	0.9
336.39059	0.2
405.04984	4.1
406.05283	0.3
535.14264	0.3
621.75409	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53855	0.2
59.01382	1.3
61.98821	0.4
71.01369	0.5
73.02946	6.9
75.00865	1.2
87.00855	0.2
89.02451	0.3
96.95982	0.4
99.00876	2.6
99.92585	10.3
100.92581	0.4
101.02413	0.5
114.93437	0.4
115.00308	0.2
116.07157	0.4
116.92859	100.0
116.97248	7.5
117.01938	12.8
117.05530	1.3
117.92870	3.7
137.79515	0.2
195.17119	0.2
223.13318	0.3
230.88162	0.2
253.09254	1.7
275.20410	0.3
293.21176	4.3
294.21686	0.3
351.17136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.2
57.03442	3.2
58.00586	2.0
59.01380	93.4
66.43411	0.7
66.97139	0.7
69.03441	1.9
69.19341	1.9
69.19744	5.6
71.01382	54.6
72.99323	1.7
73.02941	13.0
81.03438	0.9
82.95427	1.4
83.01392	5.1
85.02950	22.4
86.00074	1.0
87.00883	3.5
89.02446	23.6
95.01395	5.9
96.96004	2.5
97.02913	1.5
99.00884	6.4
101.02443	29.2
107.29008	0.7
111.00891	2.3
113.02454	30.2
119.03512	8.1
124.01678	1.5
125.02465	2.6
129.01956	1.9
131.03468	1.0
143.03514	4.6
147.45007	0.6
159.03004	1.4
161.00540	0.7
161.04564	7.6
165.77722	0.7
179.05624	2.5
381.22873	3.2
399.23969	6.7
447.88925	0.8
507.25867	1.7
543.28094	100.0
544.28400	12.2
561.29144	81.1
562.29413	8.9
603.30219	13.7
604.30542	2.6
647.29767	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	645.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.3
59.01376	1.1
61.98836	4.7
71.01382	3.1
71.09882	0.9
78.95902	0.7
79.95734	3.6
80.96511	0.7
82.96108	0.6
96.96008	100.0
98.95608	0.9
101.02452	1.6
109.06602	0.9
113.02498	0.4
113.06121	0.4
116.92869	0.6
118.04119	0.4
133.01459	0.4
171.10274	1.2
197.11775	0.4
199.09805	1.1
201.11319	0.7
207.10240	5.9
207.31165	0.4
209.11827	2.2
225.11263	3.7
225.13069	0.4
227.12935	0.8
253.09264	3.5
279.16034	0.4
295.22183	0.4
311.11313	0.3
435.18750	1.5
461.20227	3.0
462.21252	0.4
470.21207	0.4
475.15872	0.5
492.19824	0.4
497.48911	0.4
613.26318	1.1
645.28699	2.1
654.97424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
58.23253	0.4
59.01361	0.7
59.21845	0.3
61.92148	0.4
61.98813	0.5
69.28742	0.4
70.04730	1.6
71.01408	0.5
71.05038	0.5
78.95876	0.4
81.03458	0.4
83.05091	1.0
96.96015	0.8
97.02938	0.8
97.06604	0.6
97.45778	0.4
99.08141	1.8
104.27393	0.4
113.09718	2.9
119.08693	0.4
121.10185	0.6
123.08098	0.6
125.09697	1.0
127.11305	0.7
129.09230	2.5
139.11288	5.7
141.09302	0.5
147.11809	2.4
148.73630	0.4
151.11287	0.9
153.12834	0.5
163.11296	1.1
165.12828	3.7
167.10797	0.6
167.14449	0.7
169.12364	1.8
171.10274	7.8
181.12292	2.1
183.13895	1.3
185.11928	0.6
193.08463	4.6
193.12279	2.7
197.11827	6.5
199.13368	2.3
207.10069	0.8
209.11797	1.2
210.03360	0.4
211.13370	10.8
212.13628	0.5
215.10475	4.6
219.09995	2.8
231.10089	0.4
233.11571	36.1
234.11877	1.9
249.22206	1.1
259.09348	0.6
265.21710	0.7
275.20105	0.6
289.17868	0.6
293.21213	14.1
294.21561	1.3
311.22260	100.0
312.22556	7.3
315.19373	1.4
329.09763	0.5
331.18967	0.6
333.20456	7.8
334.20822	0.5
377.19412	1.7
497.65933	0.4
545.33069	0.9
645.43414	32.0
646.43683	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	645.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.8
59.01374	0.9
61.27345	0.5
61.98826	1.3
62.81865	0.5
68.23940	0.5
69.03474	0.5
69.36015	4.2
71.01373	0.9
76.80416	0.4
83.05036	0.7
96.96027	0.7
99.08161	1.6
109.60526	0.5
111.08179	0.7
113.09741	4.1
113.70730	0.5
121.06539	0.5
123.08145	0.6
129.09203	3.2
139.11284	1.8
141.09341	0.6
147.11819	1.3
149.77965	0.5
151.11250	1.2
163.11284	0.6
165.12801	2.9
169.12332	1.7
171.10292	5.2
181.12317	2.7
183.13927	1.7
185.44112	0.5
193.12267	1.0
197.11800	6.6
199.13414	3.6
201.11374	0.5
207.10027	2.5
209.11763	0.6
211.13399	11.8
215.10524	2.5
219.10019	9.3
233.11571	17.4
247.20575	0.5
275.20282	1.2
289.17767	0.6
293.21255	7.2
294.21402	0.6
311.22269	100.0
312.22653	6.4
315.19241	3.9
333.20459	18.9
334.20593	0.9
377.19507	4.2
445.24390	0.8
545.33063	0.6
645.43250	17.2
646.43799	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	645.076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46622	0.1
59.01377	0.7
59.01633	0.1
61.98536	0.1
61.98830	2.4
62.19988	0.1
62.24521	0.1
69.03447	0.1
70.07011	0.1
71.01374	0.7
71.53840	0.1
71.55927	0.2
73.02976	0.1
74.38878	0.1
78.95902	0.4
79.95734	3.1
80.96525	0.2
82.95393	0.3
85.02950	0.4
87.00846	0.1
89.02474	0.2
89.49636	0.1
94.98063	0.1
96.96005	100.0
97.95943	0.3
98.95608	0.1
101.02418	0.3
109.02959	0.2
109.72810	0.1
113.02464	0.2
115.00368	0.2
119.03548	0.1
121.03017	0.1
132.98236	0.1
143.03424	0.1
146.22824	0.1
151.00388	0.3
152.01218	0.1
166.02577	0.1
168.48387	0.1
171.10249	0.2
186.95694	0.1
191.03510	0.1
191.05508	0.1
195.06749	0.1
211.13374	0.1
284.03275	0.5
299.05576	0.6
361.07086	0.1
382.00034	0.2
541.27386	0.1
554.50488	0.1
559.07532	0.2
559.27960	0.2
563.36572	0.1
601.08704	0.3
601.16748	0.2
622.89984	0.1
644.27032	0.6
645.27179	0.6
654.16388	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	645.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.2
57.87744	0.6
59.01377	4.1
60.69869	0.4
61.98814	1.0
62.96398	0.5
66.10411	0.4
71.01379	3.1
73.02931	1.2
78.95901	44.7
80.91671	1.8
82.95388	0.4
83.01387	0.5
83.05004	0.8
85.02946	2.9
89.02429	1.7
96.95470	0.4
96.96016	2.7
96.96955	9.6
97.06577	0.5
99.08160	2.7
101.02422	1.8
109.64228	0.4
113.02445	1.2
114.48569	0.4
115.00386	0.5
119.03503	0.9
122.06073	0.4
125.09723	1.0
127.11268	1.5
127.94335	0.4
139.11244	1.8
152.99577	24.0
153.99913	0.5
155.10719	0.6
161.04533	0.7
165.12854	0.6
167.14323	0.8
171.10249	9.3
183.13885	3.5
193.12260	1.3
209.11778	1.3
211.13376	22.1
211.15408	1.1
212.13641	1.1
223.00134	1.2
229.14421	13.8
230.14751	0.8
241.01167	26.3
242.01427	1.0
253.09253	0.5
257.12888	1.0
259.02094	1.0
293.21127	0.7
301.11902	0.9
311.22232	0.8
315.04822	2.5
327.21591	1.3
329.23300	24.8
330.23779	2.0
381.09552	0.5
397.22025	1.3
465.22440	4.6
483.24072	0.4
503.32172	0.6
535.91406	0.5
541.27307	1.0
559.27368	0.8
601.29437	0.5
645.28827	100.0
646.29156	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	645.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11180	0.3
57.03440	0.8
59.01381	3.9
61.98820	0.6
69.03455	0.6
69.22829	0.3
69.36437	3.3
71.01389	2.9
73.02928	1.0
78.95903	43.4
80.91671	1.3
82.95427	0.5
85.02956	1.9
87.00875	0.5
89.02449	2.1
96.96028	2.4
96.96960	9.1
97.02901	0.4
99.00843	0.6
99.08165	3.1
101.02454	1.9
110.93411	0.4
112.98560	0.6
113.02434	1.0
119.03465	0.8
125.09704	1.1
127.11243	2.1
134.98528	0.6
139.11319	2.5
139.12213	0.4
149.03143	0.4
150.98024	0.6
152.99582	26.2
155.10782	0.5
155.14389	0.6
161.04562	0.9
165.12848	0.6
167.14450	0.8
171.10269	8.7
179.05696	0.5
183.13914	3.9
193.12283	0.9
209.11798	1.6
211.13379	20.0
212.13715	0.9
223.00018	1.0
229.14435	13.3
230.14685	0.7
241.01173	23.5
242.01619	0.6
253.09241	1.2
257.12915	1.1
259.02228	1.0
275.06842	0.4
293.21289	0.9
301.11823	1.6
311.22122	1.0
315.04953	2.0
315.08026	0.4
315.13171	0.4
327.21701	1.2
329.23318	25.5
330.23633	1.3
379.21707	0.4
397.13547	0.8
397.22089	0.5
465.22507	3.6
466.22849	0.8
466.41287	0.5
483.24197	0.5
541.26526	0.4
559.27106	0.5
609.27557	0.5
618.46967	0.4
645.28864	100.0
646.29291	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	643.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63511	0.1
59.01372	0.2
61.98821	0.1
69.34785	0.8
69.91177	0.1
70.80448	0.1
71.01399	0.1
78.95910	0.5
79.95738	3.2
80.96535	0.2
96.96011	100.0
97.95956	0.2
103.97123	0.1
157.62422	0.1
197.11856	0.2
209.11726	0.1
291.04251	0.2
351.06146	0.2
416.52750	0.1
473.16125	0.2
492.81799	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
59.01374	3.0
61.98830	8.2
68.82050	0.5
69.03463	3.4
69.37691	4.7
71.01396	2.6
73.02932	0.9
73.85226	0.7
74.40871	0.5
78.95903	47.0
79.95732	2.4
80.91689	0.6
80.96520	3.8
84.02132	0.6
85.02946	6.1
87.00898	0.8
89.02451	1.8
94.98087	1.2
95.05019	0.5
96.96017	17.3
96.96951	9.7
97.02956	1.5
97.06570	1.2
98.95595	11.2
98.96412	1.6
101.02415	1.4
105.01912	1.2
106.76516	0.6
109.02951	0.6
113.02402	0.9
116.92892	0.6
119.08669	0.8
120.99657	1.1
121.23651	0.6
122.02489	0.6
125.02384	0.8
125.09743	1.5
127.11248	0.8
130.08733	2.5
137.09705	1.8
147.49886	0.6
148.99179	0.7
152.99586	23.2
153.00813	1.3
164.98596	0.7
171.10268	20.0
180.58890	0.6
181.12315	0.8
183.13885	2.3
185.00836	1.7
191.01871	0.7
193.12317	0.7
201.11362	0.9
209.11810	4.3
211.13409	12.2
212.13786	0.7
221.11833	2.5
223.00124	1.2
225.00755	1.0
229.14404	7.8
239.12975	1.3
241.01195	24.7
259.02280	1.3
284.03302	0.7
291.19705	2.0
308.04111	2.3
309.20688	0.6
315.04874	1.5
327.21759	19.9
328.22028	1.3
352.17679	1.6
359.36032	0.6
397.13565	3.8
415.14499	1.9
463.21085	4.7
607.25714	3.6
643.27240	100.0
644.27563	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	643.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.0
57.30087	0.7
59.01362	1.7
60.78885	0.6
61.98531	1.2
61.98827	15.4
63.96222	1.7
68.09187	0.7
68.32418	0.8
69.03456	2.5
69.60236	3.3
71.01376	9.4
73.02940	2.7
78.98589	7.8
79.95734	38.0
80.96516	86.3
81.03444	1.0
83.01400	0.8
85.02959	4.8
87.00864	2.9
93.03479	1.1
94.98084	20.6
96.96004	3.7
97.02943	9.2
97.06564	1.0
98.20639	0.9
99.00864	1.0
101.02437	3.5
106.98095	3.8
122.97602	4.6
123.31325	0.8
125.02473	3.9
125.09710	1.0
127.03952	1.6
132.51192	0.8
134.97578	6.5
136.99158	2.1
137.09671	2.4
138.10014	0.9
148.99147	7.6
152.98637	8.5
161.04570	1.1
163.11267	1.0
164.98631	15.8
165.12810	1.5
166.13161	0.8
171.10255	5.9
191.05527	1.3
193.08409	3.1
194.08777	1.0
197.11865	0.8
206.99736	3.6
207.10027	1.6
209.11830	1.8
211.13359	1.4
225.00734	27.6
241.00200	1.5
247.20732	0.9
248.21037	1.0
291.19659	8.0
292.20074	7.2
293.20947	3.6
299.04459	6.5
309.20737	10.4
310.21057	11.5
311.21255	3.3
314.17996	0.7
315.19388	11.5
331.18881	1.6
332.19476	0.7
333.20218	1.5
371.06409	1.9
385.08264	1.3
399.09805	0.9
413.11053	0.9
441.14249	1.0
471.15384	100.0
472.15549	8.8
499.18256	3.0
527.17987	19.4
527.25641	1.4
528.18585	1.5
543.17389	2.7
624.21667	0.8
628.07355	0.9
642.40808	6.1
643.26440	69.8
643.41260	11.5
644.26654	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	643.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18787	0.5
57.25353	0.5
57.89278	0.5
59.01342	0.5
61.98816	1.6
63.33983	0.5
66.30534	0.5
69.25839	0.4
71.28997	0.5
71.54594	0.6
73.02969	0.5
74.63559	0.5
80.25177	0.5
81.43747	0.5
103.27624	0.5
119.64162	0.5
144.82965	0.6
183.89182	0.6
209.11807	0.5
273.74075	0.6
404.38379	0.5
452.11096	0.5
453.11920	1.3
455.17453	0.8
459.16998	0.8
465.15518	0.9
468.14105	0.6
469.19141	0.6
479.17197	1.1
481.11252	0.9
481.18997	1.3
482.18542	0.6
495.17068	0.8
496.13705	4.8
497.14597	1.9
507.16745	1.6
508.17700	4.4
509.17892	1.1
510.15356	4.3
511.15976	9.7
512.16986	2.3
513.17584	2.4
523.19916	3.8
530.97858	0.7
538.14972	2.2
539.15326	0.9
540.17004	1.3
542.14032	1.3
544.16882	3.2
549.17383	0.7
554.17023	0.6
567.18591	1.4
570.17328	1.2
571.18420	4.2
572.18530	1.0
583.18317	1.5
584.19000	0.7
643.20477	100.0
644.20782	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	642.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
61.98830	100.0
69.43416	1.2
71.01383	0.8
73.02936	0.2
79.95744	0.2
80.96514	0.8
85.02975	0.3
87.00869	0.2
89.02458	0.4
89.67724	0.2
90.87948	0.1
94.98112	0.2
96.96010	1.6
101.02456	0.5
104.11850	0.2
109.90720	0.2
113.02449	0.2
114.06445	0.2
115.00378	0.2
121.02963	0.2
136.18605	0.2
152.14517	0.2
164.98682	0.3
225.00836	0.5
247.57901	0.1
258.14383	0.2
274.64630	0.2
281.08694	0.2
283.15906	0.2
284.03500	0.2
287.62231	0.2
299.05722	0.2
315.44427	0.2
412.95215	0.2
507.29147	0.2
582.31366	0.4
642.25330	1.0
642.34424	0.7
643.01080	0.5
643.25873	1.2
655.93335	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88932	0.5
54.52753	0.5
57.03440	1.4
57.76395	0.5
59.01373	1.4
61.98804	0.5
69.03423	1.4
69.52338	3.0
69.76736	0.4
71.01366	1.2
83.05014	1.1
93.07059	0.5
109.06565	0.9
111.08158	20.9
121.06516	0.5
127.07633	1.2
147.11786	1.6
149.09718	0.6
151.11258	3.0
153.12831	1.4
163.11273	0.6
165.12808	2.2
167.10759	0.6
169.12352	5.0
179.10811	0.6
181.12389	1.2
183.13855	0.6
183.17766	0.5
191.10573	0.6
197.11832	63.7
198.12123	2.8
199.13368	2.3
205.11943	0.5
211.13405	6.6
215.10492	1.9
217.08449	0.8
219.10014	40.1
220.10411	1.4
225.11064	0.5
227.12935	0.7
231.10153	0.5
233.11571	17.1
234.11977	0.9
261.10913	0.8
263.20090	4.4
265.17990	1.4
272.98450	0.6
273.18866	0.6
287.16345	1.1
290.80844	0.5
291.19656	10.4
309.20706	100.0
310.21066	8.0
313.17700	0.7
331.18878	26.4
332.19284	1.7
345.79263	0.5
374.17761	0.5
375.17789	1.7
445.24500	1.4
641.40210	15.0
642.40594	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	642.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
61.98830	100.0
69.43416	1.2
71.01383	0.8
73.02936	0.2
79.95744	0.2
80.96514	0.8
85.02975	0.3
87.00869	0.2
89.02458	0.4
89.67724	0.2
90.87948	0.1
94.98112	0.2
96.96010	1.6
101.02456	0.5
104.11850	0.2
109.90720	0.2
113.02449	0.2
114.06445	0.2
115.00378	0.2
121.02963	0.2
136.18605	0.2
152.14517	0.2
164.98682	0.3
225.00836	0.5
247.57901	0.1
258.14383	0.2
274.64630	0.2
281.08694	0.2
283.15906	0.2
284.03500	0.2
287.62231	0.2
299.05722	0.2
315.44427	0.2
412.95215	0.2
507.29147	0.2
582.31366	0.4
642.25330	1.0
642.34424	0.7
643.01080	0.5
643.25873	1.2
655.93335	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
56.29928	0.4
57.03446	0.5
59.01378	10.6
69.03440	0.9
71.01382	7.4
71.05013	1.6
72.99309	0.6
73.02920	1.2
84.37958	0.4
85.02948	1.8
87.00867	1.7
89.02443	5.4
90.27464	0.4
95.01382	0.6
96.96034	0.6
97.02932	3.9
97.06600	0.7
98.19830	0.7
99.00877	9.7
101.02444	6.5
109.06582	1.1
110.03751	0.7
113.02451	2.9
119.03495	1.6
123.08176	0.6
125.02439	1.8
125.09747	3.3
127.11269	1.0
131.07106	0.5
135.09256	0.4
142.02701	1.0
143.03484	0.6
153.12840	0.5
163.11281	4.9
171.10309	0.6
173.31815	0.4
179.05534	0.7
181.12338	14.8
182.12582	0.8
197.11797	0.9
199.13379	15.9
200.13696	0.6
207.10242	25.3
208.10471	0.7
209.59283	0.5
221.06653	1.3
225.11311	48.0
226.11626	2.9
229.27527	0.6
235.08144	0.9
243.12364	17.7
244.12598	1.0
257.69730	0.5
317.15741	0.4
343.59595	0.4
397.13602	2.1
415.14627	0.8
440.52203	0.5
605.78839	0.5
623.25623	14.2
624.25952	1.1
641.26556	100.0
642.26996	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	641.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.5
59.01159	0.5
59.01390	5.7
59.73014	0.6
60.20794	0.5
61.98829	12.4
63.96238	1.2
66.12257	0.5
69.03464	1.1
71.01384	11.0
71.55657	0.7
72.99296	0.5
73.02947	2.4
75.00881	1.2
77.81823	0.5
78.91888	0.7
78.95898	2.6
78.98583	5.0
79.95741	12.5
80.96519	53.3
81.03454	0.6
83.01413	0.5
85.02950	3.6
86.03277	0.5
87.00880	2.9
89.02446	1.0
94.98082	13.2
96.96014	17.0
96.96957	1.1
97.02946	2.3
97.06575	0.9
98.95587	0.6
99.00884	0.9
99.04480	0.6
101.02440	2.8
106.98073	2.9
109.02933	0.6
113.02437	1.2
119.03470	0.6
122.97594	3.3
123.04486	0.7
125.02466	2.5
127.03951	1.1
133.01433	1.4
134.97589	4.4
136.99167	1.0
141.01904	0.7
143.03482	0.6
144.34529	0.5
148.99147	5.2
151.00360	0.8
152.98610	4.7
152.99652	1.4
163.11250	0.6
164.98613	12.1
167.03493	1.2
171.10324	1.5
195.10191	1.1
201.11351	0.8
206.99713	2.3
207.10263	1.0
209.11790	1.4
225.00731	18.7
225.11292	1.4
227.12828	1.0
241.00775	1.5
243.12279	0.9
258.05518	0.5
299.04376	3.1
346.06168	0.6
397.13358	1.3
437.33206	0.6
471.15451	1.2
541.19238	0.5
557.20355	0.5
641.28357	100.0
642.28613	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	641.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92659	0.1
59.01364	0.3
61.98814	0.5
65.99724	0.1
71.01379	0.8
78.95899	0.5
79.95741	3.5
80.96525	0.5
89.02470	0.2
94.98056	0.2
96.96013	100.0
97.02938	0.1
97.95918	0.3
97.96481	0.1
98.19884	0.3
101.02423	0.2
101.58920	0.1
115.06918	0.1
123.90320	0.1
133.52040	0.1
163.11308	0.2
166.98624	0.1
171.10341	0.1
185.00908	0.1
207.10349	0.4
225.00787	0.2
225.11308	0.4
241.92389	0.1
269.04419	0.1
345.14056	0.2
471.15424	0.3
623.25580	0.1
641.25958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70566	0.2
52.83865	0.2
57.03442	0.2
59.01381	1.8
61.98830	3.1
62.96256	0.2
63.96217	0.2
71.01378	6.3
73.02932	0.5
78.95904	1.4
78.98597	0.9
79.95736	13.1
80.96515	11.1
81.03447	0.4
85.02953	1.2
87.00874	0.7
89.02440	0.8
94.98087	2.6
95.01433	0.3
96.96009	100.0
97.02941	0.9
98.19878	0.5
99.00876	0.3
101.02415	1.3
106.98102	0.6
109.06597	1.0
113.02462	0.4
122.97564	0.9
125.02443	0.7
125.09775	0.3
129.32367	0.2
134.97592	1.2
137.09709	0.3
143.03441	0.3
148.99126	1.1
152.98590	1.0
152.99663	0.4
155.10806	0.2
161.04576	0.5
163.11266	0.7
164.98605	2.1
167.03331	0.2
171.10257	1.6
201.11314	1.1
206.99730	0.8
207.10277	1.9
211.13356	0.3
215.07204	0.2
215.12785	0.4
225.00719	4.6
225.11304	2.3
235.08199	0.4
241.00642	0.3
243.01862	0.4
243.12265	0.4
262.78940	0.2
273.60373	0.2
299.04398	0.7
315.03986	0.3
397.13629	0.5
399.09528	0.4
415.14600	0.9
425.03644	0.2
471.15347	14.3
472.15683	0.6
499.18484	0.9
525.16730	0.3
527.17993	2.5
543.17566	1.4
623.25488	0.7
641.24542	6.3
642.25037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90129	1.2
55.40633	1.3
57.03429	1.9
58.00597	2.3
59.01375	16.9
59.81072	1.3
69.03455	2.2
69.56258	7.2
71.01379	15.8
73.02939	5.9
81.03452	12.9
82.18112	1.3
83.01384	14.4
85.02941	7.8
87.00893	3.0
89.02450	10.4
89.02913	1.7
93.03452	3.9
95.01396	5.2
95.05009	7.7
96.96014	2.8
97.02949	10.9
97.06615	1.8
99.04520	5.5
101.02461	9.6
101.84495	1.3
107.05033	1.9
109.02940	6.2
109.06618	1.9
111.00832	1.9
111.04517	5.1
113.02446	6.7
119.03529	2.2
121.02952	5.4
121.06630	3.1
123.00861	1.8
123.04529	32.0
125.02445	38.4
125.06059	3.3
127.11261	1.8
135.04515	3.2
137.02406	11.9
137.06075	3.6
139.03966	5.7
143.03485	2.2
147.04518	4.0
149.02402	2.7
149.06119	1.7
151.03999	7.9
152.51927	1.3
153.01942	1.3
153.05548	3.7
155.03517	2.6
155.10785	2.3
161.04489	1.9
163.03963	3.8
163.11266	3.6
165.01895	1.7
165.05540	6.2
167.03487	52.3
168.03809	2.5
171.10254	16.1
177.01918	3.1
177.03320	2.4
177.05557	1.7
178.02666	2.4
179.03525	12.9
179.05096	1.7
179.05591	1.5
179.10786	1.9
181.05135	2.8
181.12259	2.0
185.11775	2.9
191.03415	2.0
193.04993	4.1
197.04538	13.3
197.11794	1.5
201.11301	17.3
207.10263	8.9
209.04536	100.0
210.04865	3.2
215.12842	2.2
221.04532	3.3
225.11295	31.4
227.05827	1.7
235.08272	4.0
239.05591	77.4
240.05869	2.6
243.12440	5.0
251.05534	5.2
269.06644	37.1
269.78244	1.4
277.03580	1.5
281.06604	3.5
293.06744	2.0
311.07639	7.1
329.08780	20.0
341.08844	5.5
359.09738	6.0
397.13403	18.5
401.08728	48.3
402.09210	3.9
413.08725	1.9
415.14569	13.5
431.09763	40.0
432.10062	2.8
449.13040	10.8
461.10858	12.9
462.11072	1.7
503.11810	8.5
504.12299	1.6
521.12903	21.1
533.12555	7.0
551.13806	4.1
623.16467	2.9
623.24945	6.4
624.24536	1.5
641.17212	16.0
641.26544	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	639.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.7
57.03431	0.9
58.00567	1.3
59.01376	30.5
61.98823	4.5
66.28941	0.6
69.46304	2.2
69.46709	2.0
71.01379	25.2
72.99295	1.9
73.02936	4.2
80.96498	1.4
83.01386	3.0
85.02943	9.2
87.00858	2.1
89.01931	1.0
89.02446	15.3
95.01378	1.8
96.95996	2.6
98.19837	0.6
99.00858	1.7
101.01793	1.1
101.02442	17.9
111.00889	0.7
113.02445	10.8
119.03502	5.7
120.01247	2.0
129.01900	1.1
143.03523	1.0
161.04506	2.7
179.05594	1.2
209.11792	0.6
267.23358	0.7
417.24924	7.0
579.30170	100.0
580.30487	10.5
595.14838	1.8
639.23279	2.1
639.34186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21688	0.1
61.98828	100.0
62.98526	0.1
69.89297	0.2
69.89719	0.3
71.01386	0.4
74.24607	0.1
79.95699	0.2
80.96535	0.4
96.96009	0.3
98.19881	0.1
101.02545	0.1
109.06621	0.2
131.17889	0.1
152.99586	0.2
187.97781	0.1
207.10341	0.3
208.10678	0.2
225.11400	0.2
348.20602	0.1
398.86017	0.1
471.15302	0.3
613.75995	0.1
641.29822	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1718
Annotation	Brartemicin
Peak:m/z	Relative Intensity
50.74934	0.7
55.01880	0.8
56.74576	0.8
57.03439	2.3
59.01379	5.4
61.67406	0.8
69.03460	2.4
69.18997	2.5
69.19416	4.7
70.52996	0.8
71.01378	4.9
71.05025	1.1
72.29533	0.7
72.99304	1.3
73.02943	2.8
81.03456	14.5
83.01382	14.2
85.02956	2.9
89.02448	3.2
93.03448	1.8
95.01390	4.0
95.05027	8.7
95.50584	0.7
96.96002	1.5
97.02953	10.5
99.04525	7.0
101.02434	2.8
103.71323	0.8
105.03470	1.2
106.47775	0.7
107.05025	2.7
108.02176	1.0
109.02943	5.3
109.06574	1.4
111.00860	1.3
111.04525	5.2
113.02442	4.6
119.05016	2.1
121.02966	7.1
121.06599	1.8
123.00916	1.5
123.03627	1.6
123.04526	30.3
124.01655	0.9
125.02448	40.3
125.06110	1.7
126.02749	1.2
132.02168	1.4
135.04500	4.6
137.02451	11.7
137.06090	3.1
138.03236	1.2
138.27655	0.8
139.03995	5.1
147.04517	3.5
149.02452	2.9
149.05989	1.9
150.03152	1.1
151.04024	5.9
153.01945	0.9
153.05573	3.0
155.03474	1.6
161.08209	1.1
163.00336	1.8
163.04019	2.9
163.11378	0.7
165.01930	2.2
165.05548	5.4
166.02693	1.9
167.03491	55.6
168.03818	2.0
171.08934	0.7
171.10262	3.3
177.01945	1.2
177.03294	1.1
177.05586	1.0
178.02667	1.0
179.03511	14.7
181.05048	3.3
191.03537	3.8
193.05081	2.7
195.06622	1.4
197.04546	16.7
201.11278	5.3
207.03040	1.9
207.10297	1.9
209.04539	100.0
210.04875	3.4
221.04567	6.1
223.06071	1.0
225.11360	5.4
233.04416	1.2
235.02483	1.7
239.05592	80.2
240.05933	3.2
251.05626	5.0
269.06635	32.0
277.03424	1.2
281.06699	3.7
284.09814	0.7
287.07629	0.9
293.06671	2.2
311.07681	7.1
312.08163	0.8
323.07849	1.0
329.08737	18.7
341.08774	5.5
359.10025	6.0
397.13504	3.7
401.08734	46.6
402.09021	3.1
413.08844	2.1
415.14490	2.2
431.09784	38.5
432.10101	2.4
436.57523	0.8
443.10071	1.2
449.12872	10.4
461.10858	12.7
485.10617	0.9
503.11758	7.5
521.13000	24.0
522.13348	2.5
533.12909	3.8
551.14099	4.7
623.15979	2.6
623.25903	2.1
641.17218	16.1
642.17584	1.8
658.03912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22591	0.4
53.85810	0.4
55.13392	0.4
57.03452	0.8
58.00600	0.4
59.01379	11.3
69.03447	2.7
71.05022	1.5
72.99294	0.9
73.02950	1.7
75.00865	0.5
76.31587	0.4
81.03444	0.5
83.01398	1.5
83.05012	0.5
83.75017	0.4
85.02968	1.7
85.62534	0.4
87.00845	2.0
89.02444	7.9
95.01391	0.4
96.96020	1.4
97.02958	1.0
97.06618	0.4
98.19857	0.4
99.00877	1.5
101.02445	5.2
111.04504	0.6
111.08130	0.4
113.02438	2.9
117.83486	0.4
119.03521	2.1
123.08157	1.3
125.02461	1.1
125.09715	1.3
133.01382	0.6
135.04501	0.4
143.03519	0.4
151.11322	1.1
151.22597	0.4
153.12825	1.6
157.08679	1.0
161.04597	0.6
161.09738	1.8
163.04115	0.4
163.11220	0.4
165.01895	0.5
165.05562	0.4
171.10252	0.4
179.05653	0.6
179.10779	3.6
183.01154	0.9
186.95598	0.6
187.09816	0.7
195.06580	0.8
197.11826	59.3
198.12163	2.5
201.11345	3.8
205.08524	0.4
209.11826	3.7
221.06630	1.1
223.09756	1.6
227.12886	1.4
235.08173	0.7
241.10817	8.9
243.12663	0.5
245.14037	1.9
286.19812	0.4
319.13983	2.6
327.09842	0.6
387.14374	0.7
389.10544	1.2
393.17538	1.5
397.13501	1.2
415.14771	0.8
447.21884	0.6
476.69940	0.4
479.22809	0.4
535.31390	0.5
564.82831	0.5
601.69806	0.4
605.09979	0.4
605.56421	0.5
621.24261	0.6
639.25012	100.0
640.14990	0.6
640.25366	10.0
668.68378	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26029	0.4
52.67527	0.4
57.03454	0.8
59.01376	9.0
61.98829	11.2
65.00355	0.4
69.40894	1.8
69.41315	1.0
70.99564	0.4
71.00990	0.7
71.01374	4.7
72.99322	0.8
73.02933	0.8
75.00870	1.1
78.95906	1.4
78.98573	0.5
79.59447	0.4
79.95749	1.3
80.96514	4.4
83.01377	0.5
83.05074	0.4
85.02945	1.5
87.00862	0.9
87.14194	0.4
88.98816	0.5
89.02444	3.1
94.98073	1.4
96.96011	3.8
97.02959	1.0
98.20658	0.6
99.00922	0.6
99.04506	0.5
99.92631	0.4
101.02439	2.6
107.01394	1.2
109.02966	0.4
109.06612	0.4
111.08087	0.4
113.02449	1.4
115.00336	0.9
116.92878	1.7
117.01884	0.5
119.03514	1.0
120.99630	0.6
124.85234	0.4
125.02445	0.8
132.02158	0.8
133.01413	0.5
133.02937	2.3
134.03754	0.7
134.04689	0.8
135.04474	0.5
136.01671	0.7
137.02409	1.2
149.02420	0.8
149.06065	1.2
151.00391	3.2
151.04050	0.8
152.99632	0.4
157.08665	0.7
161.04559	0.4
164.98610	1.0
171.10268	0.5
175.04012	1.3
179.03391	0.4
199.04031	1.3
201.02069	0.5
206.99765	0.4
216.04002	0.6
217.04916	1.1
221.44394	0.5
225.00746	1.6
227.03401	0.7
240.04169	0.8
241.01276	0.4
241.04897	0.7
243.02927	1.1
253.09271	0.4
255.02966	26.5
256.03732	14.7
257.04099	0.9
268.03708	0.8
269.04501	0.8
283.02451	33.2
284.03235	77.0
285.03992	57.2
286.04333	2.9
297.03925	1.2
298.04980	0.5
313.03415	0.8
327.05081	0.7
379.26340	0.7
433.09280	20.7
434.09570	1.9
445.07736	0.6
446.08466	5.3
447.09286	4.1
459.27414	3.1
475.10141	1.0
495.96078	0.4
595.14520	100.0
596.14862	12.5
616.91333	0.4
638.37714	5.3
639.23376	8.6
639.34320	14.6
640.24213	1.1
640.34082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00341	0.3
50.31436	0.3
55.01878	0.4
57.03453	0.7
58.00591	0.4
59.01377	4.8
61.98826	2.5
69.03455	0.5
70.02975	0.9
71.01380	5.5
71.54914	0.3
72.99299	0.5
73.02931	1.6
74.02435	0.3
75.00874	0.3
79.95747	0.4
80.96532	0.6
81.03453	0.5
83.01379	1.3
83.05048	1.8
85.02951	2.4
85.06585	1.4
86.46929	0.3
87.00855	0.5
88.98814	0.5
89.02437	1.3
95.04990	0.4
96.95997	2.3
97.02916	0.5
97.06613	0.6
97.51597	0.4
99.00892	0.8
101.02451	5.3
111.00900	0.5
111.04504	1.1
111.08121	1.2
112.07670	1.1
113.02418	2.2
115.00362	1.1
119.03453	0.4
122.02462	0.5
125.01059	0.3
125.02449	0.3
126.09213	1.0
127.11245	0.3
128.10838	0.5
129.05583	3.3
133.01443	0.8
135.04474	0.4
142.08755	1.6
146.11858	0.5
151.00294	0.4
154.08714	0.7
155.07155	0.7
156.10257	0.4
157.08659	1.0
158.08224	0.8
161.04648	0.5
170.08253	0.6
171.10237	0.4
172.09766	2.1
176.58759	0.3
182.08195	0.5
186.24673	0.3
190.10832	8.5
200.09238	1.2
201.11330	0.4
218.10254	2.9
221.11790	1.0
222.12178	0.5
237.18556	0.5
239.12799	0.8
240.13286	0.7
257.21204	1.4
303.21747	1.3
390.25745	0.6
433.09155	0.5
447.25916	0.7
458.31207	0.9
465.26993	6.1
476.32324	2.5
476.38153	0.4
575.17682	0.6
579.30365	0.8
590.34998	0.4
594.31860	0.5
595.14227	0.8
620.36823	3.1
621.37079	0.4
622.11670	0.4
638.37524	100.0
639.23389	0.8
639.37988	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	638.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.1
58.00595	0.9
59.01380	9.0
61.98824	4.2
62.24888	0.4
69.03462	0.5
70.02976	1.1
71.01377	7.8
72.00894	0.4
72.99285	0.9
73.02956	2.6
73.03300	0.5
75.55441	0.5
80.96504	0.5
83.01376	1.4
83.05033	2.2
85.02938	3.8
85.06576	1.3
86.00084	0.5
87.00882	0.9
88.98794	0.9
89.02441	2.7
92.10709	0.4
96.96013	4.8
97.02930	0.9
98.95586	0.6
99.00864	0.7
101.02450	5.6
107.49781	0.4
111.04506	1.3
111.08144	1.6
112.07660	0.7
113.02466	3.2
113.06100	0.5
115.00343	1.4
116.92822	0.8
119.03488	1.4
125.02429	1.0
126.09241	1.3
127.07625	0.6
129.05579	3.3
133.01407	1.6
135.04453	0.6
142.08708	1.6
143.03523	0.7
152.07132	0.7
154.08769	0.9
155.07120	1.3
157.08727	1.0
161.04509	0.7
170.08229	0.9
171.10312	0.8
172.09671	2.1
188.35799	0.4
190.10847	9.0
200.09250	1.2
201.11232	3.3
202.11638	1.3
218.10342	3.8
219.39532	0.4
221.11754	1.5
222.12163	1.7
224.56796	0.4
239.12906	1.8
240.13290	0.8
243.61534	0.4
257.21173	1.7
284.03339	0.7
285.03690	0.5
303.21732	1.7
380.49063	0.5
389.25449	1.2
390.25885	1.9
397.13248	0.7
398.13770	0.7
414.00732	0.4
415.14230	0.5
417.25082	0.7
458.31119	1.2
465.27057	6.0
466.26944	0.5
476.32318	2.9
504.20520	0.5
517.30334	0.9
576.31409	1.4
579.30078	2.3
590.35809	0.6
594.32001	1.9
620.36652	2.6
638.37549	100.0
639.23578	2.0
639.37555	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	637.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14330	0.3
59.01155	0.3
59.01384	3.7
61.98822	0.6
63.06672	0.4
69.03423	0.4
69.23475	0.7
69.23884	2.5
71.01012	0.4
71.01382	6.6
71.05013	3.5
80.02678	0.8
80.96504	0.4
81.03455	1.2
83.01386	0.8
83.05019	1.6
85.02972	0.6
89.02451	0.6
93.03454	1.4
95.01390	1.3
95.05032	1.7
96.95976	0.4
97.02962	0.6
97.06588	0.7
98.03742	0.7
99.00859	0.4
101.02424	1.6
106.04218	1.5
107.05001	0.8
109.02943	1.1
109.06586	11.9
109.97726	0.3
110.03745	0.6
110.64382	0.4
111.04516	7.1
111.08142	1.1
112.05331	0.8
113.02473	0.5
120.05836	0.6
121.02972	0.4
121.06584	2.1
123.08146	1.3
127.07645	1.7
135.08130	1.0
137.06084	0.7
137.09773	0.8
143.10767	1.0
145.06622	1.7
147.08041	0.3
147.33856	0.4
149.06081	3.9
149.09689	0.9
151.11307	0.6
159.08229	0.4
163.11317	1.9
167.10782	2.2
169.12306	0.4
171.10246	1.5
177.12863	0.8
179.10751	0.8
181.12337	1.4
191.14342	0.6
195.13921	2.0
199.09709	0.4
201.11261	0.7
203.14381	0.4
205.12244	0.5
207.10255	11.7
208.10628	0.5
213.08896	0.4
215.10474	0.6
217.12076	1.4
225.11331	6.3
233.15440	0.6
235.13301	1.4
243.17570	0.8
245.19066	3.6
247.09535	1.9
249.11086	2.3
251.16560	0.9
253.09225	2.1
257.11682	3.3
258.12137	0.5
261.18524	0.7
269.04517	2.9
271.13138	0.7
271.17056	1.0
272.13647	0.4
273.14948	0.7
279.12021	0.5
287.16528	1.3
289.18079	100.0
290.18433	7.3
300.13409	1.3
307.19159	16.0
308.19342	0.7
311.16360	2.2
329.17328	37.5
329.23544	1.0
330.17749	1.9
461.20123	2.9
462.20901	0.8
637.23901	0.5
637.37213	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	637.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
57.03431	3.7
59.01381	4.8
59.37996	0.9
61.98828	3.1
67.01882	1.1
69.03464	1.8
71.01363	1.1
71.05005	0.9
71.55348	1.4
80.02672	4.4
81.03462	6.0
83.00922	1.0
83.01382	12.3
83.05017	4.7
84.02155	0.8
93.03439	2.1
95.01379	1.0
95.05013	4.3
97.02953	5.0
97.06593	10.1
106.04224	2.8
107.05038	0.9
108.02184	1.0
109.02929	2.8
109.06572	3.3
110.03739	0.8
113.60729	0.8
113.82556	0.7
115.07605	1.1
119.08632	1.3
119.94682	1.2
121.06582	3.0
121.10208	0.9
122.29913	1.0
123.04523	12.2
123.08147	4.8
125.06065	2.2
125.09718	18.2
135.04497	1.0
135.08186	4.1
137.06075	1.7
137.09718	11.6
141.09216	1.2
141.12862	2.3
142.02698	1.9
145.06639	0.8
147.11774	1.1
148.08852	0.8
149.06047	2.4
149.09691	1.9
151.11224	1.5
151.54518	0.8
159.08133	1.0
160.08885	1.2
161.09650	1.6
162.10457	1.2
163.07654	1.5
163.11285	22.1
165.09093	1.3
165.12865	5.6
167.10760	2.0
171.10233	2.5
175.07414	5.5
175.11252	1.1
177.12868	1.9
179.10745	3.5
181.12300	4.3
185.11803	15.0
189.12849	1.6
191.10753	5.3
191.14400	18.5
193.12299	1.3
201.09042	0.9
203.10492	1.7
207.10211	14.8
209.11815	94.5
210.12173	4.3
217.08424	1.2
217.15955	3.2
219.06410	2.0
219.10164	1.5
219.13689	0.9
225.11340	8.3
231.09999	97.2
232.10426	4.2
233.11559	6.4
235.09486	2.1
243.17476	2.3
245.19086	32.1
246.19281	1.4
247.17003	1.2
249.10973	2.2
259.13052	2.1
263.20163	3.1
271.16949	2.7
279.19629	1.1
283.16711	1.6
285.18369	6.1
289.18085	100.0
290.18332	6.2
301.17740	1.3
307.19131	89.4
308.19586	5.0
311.16339	2.0
317.17300	14.0
329.17307	39.6
330.17529	3.0
539.29816	7.7
540.29797	1.0
637.37134	36.5
638.37598	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	637.308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.8
57.03429	0.7
58.00581	0.9
59.01380	23.7
61.98828	1.8
69.03451	0.7
69.98734	0.9
69.99149	1.5
71.01385	50.1
72.99321	0.9
73.02948	2.9
79.95741	0.6
80.02654	1.3
81.03463	2.6
83.01368	0.8
83.05022	3.1
84.54168	0.5
85.02937	2.8
87.00873	1.6
87.60805	0.5
89.02450	5.8
93.03442	0.8
95.05050	0.9
97.02953	5.9
97.06582	2.1
99.00877	2.3
101.02448	7.8
106.04273	0.9
107.05040	0.6
109.06594	33.2
110.03716	1.5
110.06902	0.9
111.08134	0.5
112.35803	0.5
113.02431	3.7
116.25558	0.5
119.03505	1.4
121.02922	0.9
121.06591	2.2
125.09699	1.4
127.11314	0.8
135.08163	3.8
136.05263	1.6
142.02719	2.1
143.03456	0.8
146.25497	0.5
149.09735	0.9
155.10745	0.9
161.04608	2.7
161.05722	0.5
161.09691	2.1
163.11298	18.7
164.11597	0.7
165.09201	0.8
171.10268	7.5
179.05566	0.8
179.10771	0.6
181.12341	6.4
185.11813	3.4
189.09151	1.4
197.11826	1.0
199.09718	3.7
199.13400	1.2
201.11290	4.9
207.10263	100.0
208.10585	4.5
209.04466	0.7
209.11852	1.9
215.12778	0.7
225.11319	58.8
226.11748	2.6
235.08192	1.1
243.12411	3.5
253.09299	22.0
254.09566	0.8
299.15051	2.1
435.18802	0.8
461.20300	24.9
461.26273	0.9
462.20953	6.3
463.21194	0.8
479.21350	0.8
517.89868	0.6
526.94806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03427	1.0
59.01378	29.1
60.61823	0.9
61.98824	2.2
69.03439	0.9
69.60464	5.8
71.01381	65.7
73.02940	4.0
78.95900	2.1
80.02671	1.9
80.96481	0.9
81.03458	1.9
83.05031	4.0
84.02172	0.9
85.02943	3.9
85.78449	0.9
87.00881	1.3
89.02457	7.1
93.03480	1.0
95.05025	1.1
97.02956	7.8
97.06597	1.0
98.19995	1.8
99.00874	2.6
99.36127	0.8
101.02443	9.1
107.05019	1.3
109.06591	36.3
110.03770	1.0
113.02452	3.2
119.03455	1.1
121.06583	1.9
125.09698	1.9
127.11263	0.9
135.08141	3.6
136.05298	1.4
142.02681	2.6
143.03516	1.2
145.10185	1.0
155.10785	1.6
161.04552	4.2
161.09700	2.5
163.11293	18.2
171.10291	10.5
179.10687	1.4
181.12396	5.7
185.11809	1.7
189.09178	2.6
197.11852	1.3
199.09792	6.0
199.13336	1.3
201.11368	6.3
207.10257	100.0
208.10545	4.7
209.11743	1.6
215.12930	0.9
225.11322	55.2
226.11699	2.6
235.08084	0.9
243.12332	2.8
253.09280	25.7
269.04507	3.1
282.98993	1.4
299.14929	1.7
307.37946	0.8
408.19858	0.9
408.88007	1.3
435.18436	1.0
461.20279	25.3
462.20901	7.0
467.26740	1.0
517.18762	0.9
588.10052	1.0
637.32501	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	637.2712
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
52.25605	0.6
57.03466	1.2
58.21487	0.6
59.01381	19.7
61.98843	2.2
63.36432	0.5
69.03475	1.2
71.01381	11.7
72.99330	1.9
73.02928	2.9
75.00888	1.4
81.03489	0.7
83.01399	1.0
83.76300	0.6
85.02972	2.9
87.00912	1.8
89.02443	11.3
89.02938	0.8
95.01421	0.6
96.96005	8.4
97.01221	0.6
97.02975	2.2
97.74891	0.6
98.95621	1.2
99.00880	1.2
99.60226	0.5
101.02431	9.6
101.03002	0.7
112.98528	1.3
113.02434	3.8
116.92862	1.7
119.03506	2.2
119.23593	0.5
121.02982	0.7
125.02461	2.0
125.06568	0.5
131.03461	0.7
133.01454	1.2
134.03699	0.7
137.09685	0.6
143.03555	1.0
159.11778	0.8
161.04552	0.9
177.12854	4.3
179.05569	0.9
186.45114	0.5
189.03508	0.6
193.05110	0.6
195.13892	83.9
196.14207	4.2
203.10806	0.7
221.06702	0.8
221.11613	1.0
235.08267	1.1
239.12871	8.5
251.12816	1.0
253.09152	0.6
255.67125	0.6
283.47809	0.7
299.50528	0.6
329.23251	3.6
338.85846	0.7
373.25760	1.7
389.25421	4.1
397.13522	4.0
415.14569	3.1
441.43204	0.7
457.27319	1.0
577.28918	1.1
593.32281	1.7
637.26691	100.0
638.27014	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	635.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11691	0.3
59.01381	1.2
60.99311	15.5
61.98838	0.7
71.01382	1.2
85.02908	0.3
87.00896	2.0
88.00417	3.0
88.98812	100.0
89.02451	22.5
89.99149	0.7
96.96030	0.6
97.02960	0.3
107.31647	0.3
113.39384	0.3
116.17366	0.3
133.01454	0.5
155.10724	0.3
171.10313	0.5
225.11316	0.3
234.49989	0.3
244.51247	0.3
275.09338	0.8
309.20740	1.1
311.22314	0.6
327.15860	0.3
635.32245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12194	2.4
59.01381	13.1
59.26282	2.2
61.98824	6.5
71.01383	47.5
71.55836	2.7
81.03459	4.1
83.05014	4.6
97.02951	9.2
97.06587	6.9
109.06592	57.0
121.06602	4.5
121.10237	9.2
135.08194	8.2
142.02673	7.5
161.09666	3.3
163.11288	25.6
171.10306	27.5
181.12308	10.7
183.13808	6.5
185.11789	4.2
196.49536	2.7
198.03918	2.6
199.09767	15.1
207.10258	73.9
209.11804	3.1
211.13414	4.2
225.11336	22.9
235.16994	4.7
264.22559	2.7
275.20178	45.3
276.20358	3.9
289.18088	4.0
293.21249	100.0
294.21436	7.7
307.19153	3.5
327.21765	7.7
393.21555	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	636.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	10.4
59.01372	2.0
65.04531	0.3
65.35959	0.4
70.02974	4.9
70.54562	0.5
70.54888	0.4
71.01389	1.4
72.00904	3.6
75.94786	0.3
83.01321	0.3
89.02450	1.7
91.05530	3.4
93.03504	0.4
96.96012	2.3
101.02431	0.6
103.05536	0.4
113.02443	0.5
115.00388	0.4
119.03465	0.5
133.01424	1.2
133.02939	0.3
134.04752	0.4
135.04550	1.6
136.04918	0.6
147.04517	19.5
148.04866	0.6
159.10515	0.4
162.09279	0.5
164.07156	52.9
165.07532	1.1
179.03473	1.1
179.05626	0.5
180.03893	1.0
195.06618	0.5
206.08206	100.0
207.08543	4.1
250.07214	0.7
390.61655	0.4
577.21674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58566	0.4
57.40040	0.3
59.01378	56.2
61.63144	0.3
63.84188	0.4
70.55153	0.9
71.01373	1.9
71.05020	2.2
71.41924	0.4
76.06034	0.3
79.95734	0.5
84.64603	0.4
87.04510	1.9
89.02462	0.9
90.62863	0.3
96.96014	7.5
99.04513	8.3
99.08170	2.6
101.02441	0.6
103.00372	6.8
113.02429	0.6
115.00349	0.8
115.04006	6.0
115.07617	1.2
117.05566	3.5
120.01307	0.5
131.07129	0.7
133.01447	1.1
133.02951	2.6
135.04512	2.7
143.07121	3.8
161.08189	100.0
162.08517	2.6
177.01929	1.6
179.03519	1.8
203.09247	22.5
204.09610	0.7
247.06117	0.6
247.08434	0.9
248.14099	0.4
285.04053	0.5
341.08563	0.6
387.16840	1.9
504.18817	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.3
57.03439	3.2
58.00592	2.2
59.01379	73.9
69.03449	1.2
69.22860	10.6
71.01009	2.4
71.01383	40.6
72.99309	2.7
73.02937	6.8
83.01388	8.1
85.02949	19.3
87.00871	3.1
89.02441	24.5
95.01389	4.5
96.96000	13.0
97.02954	3.5
99.00869	4.8
101.02442	36.8
109.79653	1.2
113.01711	1.9
113.02446	25.1
115.00344	2.7
119.03522	9.2
123.08155	1.2
125.02423	5.1
133.01408	4.6
133.02966	3.1
135.04509	15.6
138.06813	6.8
143.03485	5.9
145.60985	1.2
147.05388	1.1
153.09209	19.6
159.02998	1.6
161.04526	11.1
177.01891	1.7
179.03500	16.6
179.05545	5.3
183.63922	1.3
204.10817	1.1
207.13889	2.5
225.14938	29.9
225.40247	1.1
313.07111	1.9
328.58801	1.1
364.49512	1.2
369.19141	4.3
387.19998	6.0
429.21136	14.1
445.92737	1.3
531.24353	17.2
532.24939	1.7
549.25507	100.0
550.26001	9.2
591.26563	61.5
592.27118	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	635.2511
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
53.39254	0.6
60.61058	0.6
61.98807	0.8
64.83621	0.5
71.39632	0.9
76.13905	0.5
89.98243	0.6
92.65842	0.6
109.17441	0.5
111.00811	0.5
145.39206	0.5
168.10161	0.6
171.47720	0.6
270.05606	0.6
348.22549	0.6
363.94632	0.5
415.15375	0.8
419.18634	2.2
430.13904	1.1
430.18802	0.7
431.13620	0.8
431.19537	3.8
433.20117	1.1
445.16080	3.1
446.76483	0.7
458.17560	1.8
459.13721	0.8
459.18539	1.4
461.23077	0.7
462.20532	0.7
465.82559	0.7
473.15430	1.7
473.20963	3.0
474.16373	6.5
475.17383	2.8
487.17645	2.3
488.18607	5.9
489.19208	4.5
490.20340	6.5
491.20413	1.6
501.19235	2.3
505.22540	4.7
516.18066	1.7
529.19196	1.4
530.18762	0.7
548.21661	0.7
549.21198	4.3
559.23706	0.8
560.20630	1.6
575.14081	0.7
575.22961	14.7
576.23639	9.4
577.23914	1.2
603.22272	1.9
635.25073	100.0
636.25427	14.9
647.64398	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.6
57.38272	0.8
58.00572	1.2
59.01378	100.0
59.06086	1.0
60.92014	1.1
71.01382	29.1
71.05003	1.7
71.09139	1.6
72.99297	2.0
73.02950	4.2
75.25333	0.8
83.01379	1.1
85.02944	9.9
87.00867	1.3
87.04502	1.3
89.02444	27.0
95.01392	3.3
96.96016	14.9
99.00919	1.5
99.04526	10.1
99.08154	4.0
101.02434	16.5
103.00382	8.0
105.08117	1.0
113.02453	17.8
115.00347	2.7
115.04029	6.3
115.07603	1.0
116.47395	0.9
117.05564	4.3
119.03508	8.9
121.02982	1.6
125.02399	1.3
131.03511	2.3
131.07117	1.2
133.01419	3.2
133.02969	8.5
135.04523	9.7
143.03481	2.3
143.07129	3.3
149.04521	3.4
159.72607	0.9
161.04596	5.9
161.08189	94.4
162.08492	2.9
177.01942	6.6
179.03513	5.2
179.05623	4.3
203.09253	22.2
285.04089	1.4
319.16971	1.1
320.18570	1.0
341.08783	2.5
369.19049	2.2
387.16281	1.7
387.20633	1.5
475.12683	1.0
519.11755	1.6
531.24445	39.7
532.24915	3.6
549.25525	21.3
550.25891	1.7
591.26636	9.0
599.26764	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	635.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19028	0.3
55.57895	0.3
57.03459	0.3
59.01379	22.3
59.29445	0.3
61.98823	0.5
68.99555	0.4
69.03425	0.3
69.52750	0.4
69.77238	0.7
69.77634	1.6
71.01378	1.9
83.05013	0.5
83.58350	0.3
85.02940	0.9
87.00863	0.4
88.98794	1.3
89.02435	0.5
96.96011	4.1
97.02927	0.8
101.02476	0.9
109.76456	0.4
112.98564	0.4
113.02447	0.5
121.02994	0.4
125.09733	0.6
171.10278	5.5
172.10573	0.4
201.11298	1.2
209.11809	2.7
225.11211	0.5
240.04359	0.4
253.09160	0.5
255.02983	60.7
256.03329	3.1
283.02475	30.9
284.03159	5.4
285.04062	1.2
296.03403	0.5
313.03677	0.7
323.05692	0.6
326.04114	1.0
345.22733	1.5
381.09781	100.0
382.10114	8.1
413.12399	90.7
414.12759	7.0
446.08508	17.4
447.09042	1.5
467.19855	0.5
501.21008	0.5
519.31580	0.5
543.15173	4.4
572.53137	0.4
635.38708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92925	0.4
59.01377	1.3
60.99306	15.2
61.98815	0.8
70.88450	0.6
71.01381	2.2
76.98602	0.4
87.00884	1.8
88.00394	2.7
88.98802	100.0
89.02442	23.0
89.99152	0.8
96.96015	0.9
99.93116	0.4
101.02427	0.5
105.51333	0.3
115.00349	0.7
133.01424	0.4
163.11191	0.4
171.10201	1.0
186.06709	0.5
207.10257	1.2
209.11758	0.4
215.07011	0.6
225.11261	0.7
245.19150	0.5
246.31314	0.4
253.09151	0.5
301.10501	0.3
425.19849	0.5
461.20438	0.5
473.25504	0.5
485.21622	0.8
517.24512	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	0.4
57.03445	0.5
59.01377	2.7
61.98829	1.7
69.03436	2.0
69.54873	2.8
71.01379	7.1
71.36480	0.4
72.99303	0.8
73.02950	0.6
76.48531	0.4
77.03957	1.9
77.82732	0.4
82.95430	0.6
83.01408	0.4
85.02965	0.4
89.02455	1.1
89.03959	1.1
93.03466	0.8
95.05039	3.6
96.96010	9.9
97.03022	0.4
99.00880	0.4
101.02435	0.9
105.03456	13.9
107.05042	1.1
109.02969	0.5
113.02470	0.8
115.00367	7.3
119.03427	0.7
119.05057	0.6
121.02949	1.2
122.02464	1.4
123.04540	2.1
124.01675	1.1
133.01488	11.6
133.02950	97.5
134.03804	4.6
135.04520	48.7
136.04875	1.1
137.02448	5.1
139.04010	1.4
147.04482	0.5
147.54846	0.4
149.02422	1.2
150.03230	1.6
151.04007	2.2
161.02454	2.6
161.06044	2.4
162.03236	0.4
176.04779	0.6
177.01920	100.0
178.02673	11.8
179.03491	17.7
180.03841	0.5
185.00868	1.1
194.02205	0.7
205.05080	0.8
219.10097	0.4
222.40094	0.5
227.12848	0.8
235.87532	0.4
250.04868	1.0
269.08084	2.1
293.02991	8.8
294.03693	4.8
295.04288	0.5
313.07175	1.8
328.13647	0.4
339.07309	1.0
341.08731	18.9
342.09021	0.6
345.15555	0.6
357.06213	1.4
357.13437	0.8
431.13550	0.4
450.45874	0.5
491.11618	0.8
497.90018	0.5
519.11139	1.9
575.27679	0.4
604.09900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	1.1
79.21960	0.7
93.76206	0.7
97.10662	0.7
152.12259	0.8
171.10051	0.7
192.42917	0.7
199.13499	0.7
240.14499	0.8
271.97867	0.8
277.21704	100.0
278.22055	5.2
408.09796	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79774	0.1
57.15616	0.2
70.87741	0.3
71.01373	0.2
73.50710	0.1
77.02860	0.1
78.95910	0.4
79.95737	2.5
85.02937	0.1
87.77789	0.1
96.96011	100.0
97.95937	0.2
98.95599	0.3
115.00382	0.1
123.26658	0.1
133.01312	0.1
176.01114	0.1
190.81538	0.1
207.10233	0.2
232.03401	0.1
283.82193	0.1
289.18127	0.5
422.14319	0.1
471.24670	0.2
566.88403	0.1
611.65778	0.1
632.27673	0.1
633.27380	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48846	0.3
59.01376	38.2
61.98832	1.2
69.03444	0.6
69.26130	1.8
69.26548	1.0
71.01415	0.5
85.02978	0.6
85.06589	10.5
87.17555	0.3
96.96009	1.6
99.00874	0.4
104.63271	0.3
109.02869	0.3
113.06084	15.9
118.54208	0.3
131.07138	100.0
132.07471	1.9
173.08176	54.8
174.08499	1.5
217.07304	0.3
415.16016	0.4
631.07062	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2853
Annotation	Aglaforbesin A
Peak:m/z	Relative Intensity
57.03444	0.4
59.01381	2.2
61.72284	0.3
61.98827	2.8
63.96225	0.9
69.03470	0.4
69.50244	2.1
71.01385	6.4
73.02940	1.7
78.95919	0.6
78.98594	4.1
79.95737	9.8
79.96207	0.7
80.96517	50.0
81.03476	0.5
81.95290	0.5
81.96473	0.4
82.96109	1.5
82.96962	0.3
83.01384	0.5
85.02956	3.2
87.00869	2.5
89.02454	0.4
94.98089	11.5
95.01395	0.5
96.96011	6.3
96.97674	0.4
97.02936	1.8
99.00880	0.5
99.08152	0.4
100.45322	0.3
101.02435	1.9
106.98093	3.1
112.98625	0.6
113.02467	0.4
115.00362	0.3
122.97592	2.7
125.02448	3.4
127.04000	0.8
128.17082	0.3
131.34567	0.3
134.97595	4.2
136.99149	0.8
139.11267	0.5
148.99136	4.2
152.45474	0.3
152.98582	3.7
158.09222	0.3
161.04535	0.4
164.98637	10.1
167.00262	0.4
171.10292	1.5
183.08844	0.4
191.02023	0.4
201.09164	0.5
204.16660	0.3
206.99709	2.2
209.03062	0.3
209.11926	0.4
211.13385	0.8
215.09314	0.3
223.29639	0.3
225.00749	18.0
226.01009	0.8
227.00412	0.4
229.14424	0.5
241.00336	0.4
299.04395	2.4
308.03207	0.7
309.03882	0.7
310.15427	0.3
329.23233	1.1
330.23859	0.5
337.07123	1.2
363.08533	0.4
381.09772	2.5
402.00128	0.4
471.15369	0.9
483.23651	0.4
484.24155	0.5
555.31329	2.2
569.33337	0.4
585.16132	2.7
629.28345	100.0
630.28662	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	628.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33497	0.6
56.37597	0.6
57.03462	1.7
59.01379	13.7
59.01651	1.1
61.98829	19.0
63.99250	1.7
69.36082	3.7
69.36501	1.4
71.01393	4.0
71.05071	0.7
73.02944	1.2
78.95902	40.2
78.98616	2.6
79.95736	8.9
80.96516	30.0
81.95310	0.7
82.96115	2.4
85.02953	3.2
87.00889	1.1
89.02475	0.7
94.98083	6.2
95.01395	0.7
96.96047	2.7
96.96980	1.5
97.02979	2.6
99.08157	4.5
101.02491	1.9
106.98103	1.5
113.02460	0.9
120.88732	0.7
122.97601	1.9
122.98569	2.6
125.09740	1.2
127.04039	0.8
127.11304	4.0
133.02985	0.9
134.97592	1.8
136.99132	0.7
139.11305	10.4
148.99155	2.3
152.98576	1.9
152.99612	19.8
153.09245	0.7
155.10820	0.7
155.14435	0.8
157.12352	1.4
157.56326	0.8
164.98633	4.6
168.04353	6.3
171.00656	1.0
171.10272	31.5
172.10695	0.9
177.01993	0.8
178.02576	0.7
183.13956	2.1
189.10339	0.8
191.05586	1.0
192.04276	2.3
193.05026	0.7
193.12302	1.4
199.09781	0.6
201.11282	0.9
206.99811	1.1
209.11784	1.0
211.13388	16.1
224.06934	9.1
225.00749	9.9
225.02724	0.9
225.14949	0.8
226.01082	1.4
229.14421	8.5
240.30959	0.7
242.08020	3.0
293.21252	1.3
299.04553	1.1
300.64914	0.7
311.22299	1.1
329.23309	35.0
330.23767	2.1
337.06863	1.0
343.24869	2.5
381.09671	1.2
407.08063	0.7
416.09702	0.8
483.23599	28.6
484.24030	1.5
509.25272	1.0
554.30963	100.0
555.31171	9.4
568.32678	5.7
585.15521	0.8
628.27057	39.9
629.28247	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	627.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.4
59.01371	0.6
61.98825	1.2
63.98819	0.3
66.93869	0.3
69.21943	3.5
69.22255	0.6
78.95906	50.8
80.91676	1.0
85.56944	0.4
95.75080	0.4
96.96964	11.2
99.08163	0.8
101.86925	0.3
111.08183	0.5
113.09736	1.4
113.94650	0.4
118.31882	0.3
129.09251	1.7
131.61034	0.3
134.98537	0.5
139.11272	0.5
143.30293	0.4
150.97981	0.6
151.11255	0.9
152.99593	36.4
153.12885	0.4
169.12399	1.8
171.10326	0.7
173.59744	0.4
175.57788	0.5
181.12389	1.9
183.13893	0.8
193.12288	0.8
197.11819	6.1
199.13390	3.1
211.13376	7.7
212.13719	0.5
223.00110	1.5
241.01175	26.7
242.01619	0.6
244.73285	0.3
275.20139	0.6
293.21255	7.0
294.21356	0.5
309.20856	0.7
311.22266	15.4
312.22507	0.9
315.04868	4.4
447.21573	5.4
448.21774	0.5
474.95844	0.4
627.27856	100.0
628.28192	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	627.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
59.49619	0.6
69.03452	0.6
69.18592	5.2
78.95902	53.0
83.04999	0.6
96.96966	11.2
99.08128	0.9
99.96892	0.6
103.14555	0.6
109.06503	0.6
112.48895	0.5
113.09707	0.7
121.10201	0.6
129.09177	0.8
139.11275	2.7
150.98114	0.5
152.99583	36.4
165.12877	0.7
169.12476	0.6
171.10291	6.7
181.12306	0.8
193.12343	3.5
197.11790	2.1
198.36020	0.6
211.13390	5.6
223.00085	1.7
240.98718	1.3
241.01183	24.4
259.02170	0.6
275.20264	0.5
291.19720	0.8
293.21179	10.4
311.22272	18.4
312.22528	1.2
315.04913	4.6
447.21396	5.0
494.37869	0.6
627.27838	100.0
628.28192	9.9
628.37885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
66.40996	0.2
71.01356	0.2
78.95898	1.8
79.95743	3.4
93.80135	0.2
96.96014	100.0
98.19826	0.3
100.71796	0.2
101.02366	0.2
118.83205	0.2
118.96684	0.2
141.89200	0.2
152.99632	0.6
241.01239	0.4
242.66731	0.2
244.68585	0.2
291.03909	0.3
293.21262	0.4
351.06201	0.3
594.37335	0.2
627.26691	1.7
628.26886	0.2
630.93817	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
63.61752	0.2
65.80186	0.2
70.30006	0.7
73.49271	0.2
78.95905	1.3
79.95743	2.5
96.96010	100.0
97.82555	0.2
100.31321	0.2
149.12659	0.2
156.20595	0.3
227.87131	0.2
278.22873	0.3
316.14246	0.2
354.09766	0.3
363.35342	0.2
446.64114	0.3
563.05768	0.2
566.96759	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2689
Annotation	Elliptifoline
Peak:m/z	Relative Intensity
50.50848	0.3
59.01369	1.6
63.96227	1.1
64.59409	0.4
69.03445	0.6
70.38284	1.1
70.77348	0.5
71.01380	6.6
72.99268	0.4
73.02947	1.7
78.98591	4.6
79.95735	16.3
80.96519	49.2
83.01388	0.4
85.02941	3.0
87.00898	1.9
88.98797	0.7
94.98088	11.0
96.96009	13.5
97.02971	2.6
101.02448	2.1
106.98072	3.0
122.97601	2.8
123.00847	0.5
125.02425	2.6
127.04012	0.5
134.97578	3.4
136.99139	1.3
141.09277	0.7
148.99126	4.7
152.98628	5.7
164.98611	9.6
171.10313	1.8
192.54070	0.4
206.99742	2.1
209.11876	2.9
211.13371	0.5
215.09264	1.5
225.00719	17.0
227.12863	0.9
241.00191	3.9
243.12386	0.7
283.01260	3.2
284.03329	2.9
299.05405	3.2
315.04117	0.5
327.21652	0.9
371.06644	0.8
471.15561	0.9
523.18701	0.7
541.06628	1.7
557.19055	0.5
583.07660	3.4
584.08075	0.7
627.26886	100.0
628.27289	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	626.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08117	0.1
59.01367	0.9
61.98829	100.0
62.98568	0.1
63.96251	0.1
69.51859	0.9
71.01390	1.3
73.02947	0.3
74.81911	0.2
75.00854	0.2
78.98583	0.7
79.95729	2.0
80.96514	7.7
81.41013	0.1
81.96407	0.2
85.02957	0.5
87.00871	0.3
88.98804	0.2
89.02443	0.2
94.98083	1.8
96.96009	0.8
97.02942	1.0
101.02446	0.5
105.03465	0.2
106.98099	0.3
109.02974	0.1
113.02451	0.2
115.00382	0.1
122.97579	0.5
125.02419	0.3
133.02945	1.2
134.03667	0.2
134.97581	0.6
135.04138	0.1
139.04002	0.2
139.11292	0.2
148.99103	0.7
152.98598	0.8
152.99680	0.2
164.98611	1.1
171.10262	0.4
177.01927	0.9
178.02557	0.5
179.03157	0.3
183.10223	0.3
206.99683	0.3
209.11877	0.3
210.05458	0.1
211.13399	0.4
212.13890	0.1
215.09196	0.4
219.36595	0.1
225.00777	2.4
226.01114	0.3
243.12341	1.1
253.09288	0.2
299.04550	0.4
328.16370	0.2
442.27435	0.1
510.24112	0.5
522.33685	0.2
536.32269	0.2
551.03418	0.2
557.19476	0.2
626.25549	6.3
627.26831	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	625.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
57.03444	0.8
58.00592	0.8
59.01379	19.8
60.73873	0.3
61.98830	4.3
69.03445	0.8
70.19497	1.4
71.01381	13.1
72.99310	0.9
73.02935	2.1
75.00875	0.5
79.95760	0.4
80.96518	2.1
81.03461	0.8
83.01379	2.4
83.05012	0.3
85.02951	3.9
87.00867	1.9
89.02444	11.3
94.98098	0.7
95.01394	1.1
96.96029	0.7
97.02944	2.1
97.06577	0.4
99.00860	0.6
99.04534	0.3
101.02436	9.4
101.74683	0.3
102.02810	0.4
105.03512	0.5
105.18079	0.4
111.08179	0.5
113.02438	4.6
118.36492	0.4
119.03521	3.2
125.02463	2.6
126.63864	0.3
133.02942	2.0
134.03720	0.5
143.03537	0.8
161.04510	1.7
162.94005	0.3
165.12840	7.7
177.01942	1.8
178.02643	0.8
179.05516	0.5
183.13889	61.4
184.14177	2.6
191.03200	0.3
195.05045	0.3
209.11777	1.1
221.06575	1.0
225.00758	0.9
227.12878	8.0
235.08186	1.5
253.09334	0.7
327.16046	0.4
397.13397	4.4
398.13965	0.5
398.23547	0.4
415.14502	2.6
445.21011	0.4
463.10834	0.4
581.25885	0.8
607.25885	0.8
625.27026	100.0
626.27307	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	625.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64991	0.3
52.56869	0.3
53.28195	0.3
55.01890	0.5
57.03436	0.6
58.00587	1.2
59.01377	18.2
61.98814	0.4
69.03456	0.8
69.30489	2.5
71.01382	14.7
71.04996	0.3
72.99308	0.9
73.02950	2.1
80.02657	1.1
81.03459	1.9
83.01379	1.6
83.05023	5.7
84.02155	1.1
85.02950	3.0
87.00883	3.1
88.98808	0.9
89.02444	14.7
93.03431	0.3
95.01384	0.9
95.05028	0.9
96.96001	1.0
97.02938	2.4
97.06593	0.3
99.00868	1.0
101.02439	11.9
107.96323	0.3
109.77625	0.2
111.00913	0.4
111.04436	0.3
113.02453	5.7
115.04023	0.6
119.03500	4.3
121.02971	0.3
125.02440	4.0
125.06107	0.4
131.03491	0.8
133.05034	0.6
135.08206	0.7
141.01978	0.6
143.03526	2.4
149.04549	0.5
159.54085	0.3
161.04572	3.0
163.11293	4.2
164.11621	0.3
165.12837	3.0
169.12280	0.3
174.43962	0.3
178.34801	0.3
179.05571	3.7
179.06999	0.4
181.12320	1.1
183.13943	0.5
191.10756	1.0
199.13399	4.5
209.11812	100.0
210.12137	4.3
217.07048	0.4
221.06647	1.1
221.25996	0.4
227.12871	30.2
228.13161	1.4
229.14381	0.4
235.08209	5.4
253.09280	1.5
263.07626	0.9
287.07703	1.1
305.08618	1.5
323.09872	0.8
377.46790	0.3
379.12369	0.3
389.17679	0.4
397.13480	37.5
398.13950	2.3
415.14560	21.0
416.14767	0.9
592.77203	0.3
607.26245	0.6
625.26947	6.0
626.27271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.5
58.00584	1.2
59.01378	19.9
61.43469	0.3
69.03442	0.9
70.07513	0.3
71.01382	13.8
72.99303	0.9
73.02953	2.2
80.02676	1.5
81.03462	2.2
82.31079	0.3
83.01392	1.7
83.05027	6.0
84.02163	1.9
85.02958	3.1
85.93507	0.3
87.00874	3.0
89.02444	13.6
94.58454	0.4
95.01398	1.1
95.05005	0.9
96.96005	0.5
97.02960	2.3
98.19840	0.6
98.57480	0.3
99.00870	1.3
101.02438	11.9
101.03105	0.6
111.00892	0.5
111.08129	0.8
113.02446	6.0
119.03503	4.0
120.01268	0.4
120.40762	0.3
124.01562	0.4
125.02441	3.9
125.06062	0.7
131.03510	0.7
131.07109	1.0
133.03064	0.3
134.32309	0.3
135.04532	0.9
135.08125	0.9
143.03465	1.7
149.02492	0.5
149.04549	0.8
150.03214	0.9
161.04590	2.7
163.11296	4.4
165.05576	0.4
165.12842	3.1
167.03441	0.5
173.08173	1.0
179.03484	1.7
179.05641	3.3
181.12384	1.0
191.10715	0.9
199.13397	3.3
209.11823	100.0
210.12175	3.8
217.07164	0.6
221.06660	0.8
223.92387	0.3
227.12868	24.7
228.13243	0.7
235.08202	4.2
253.09299	1.5
263.07614	0.7
277.09247	0.4
287.07675	1.3
300.68851	0.3
305.08807	1.5
323.09741	0.7
379.12485	0.7
397.13483	36.7
398.13876	1.5
403.13940	0.8
415.14551	20.2
416.14673	1.3
509.26538	0.5
578.69910	0.4
607.26123	0.5
625.27228	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	625.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03447	0.6
58.00589	0.6
58.45855	0.3
59.01379	16.2
61.98818	1.8
69.03471	0.9
71.01379	11.2
71.01773	0.6
71.31625	0.5
72.99318	0.7
73.02940	2.3
77.77318	0.3
79.95776	0.3
80.96511	0.8
83.01368	1.6
85.02956	2.9
87.00870	1.8
89.02446	10.4
95.01385	0.8
97.02945	1.5
97.06570	0.3
99.00868	1.2
101.02442	9.1
111.08179	1.0
113.02448	3.8
119.03515	2.2
125.02438	2.1
133.02946	0.5
143.03532	0.9
149.04605	0.5
157.08621	0.4
161.04550	1.3
165.12836	9.7
177.01907	0.4
179.05621	0.9
183.13889	67.8
184.14252	2.7
190.07208	0.4
209.11839	1.2
221.06694	0.8
227.12874	9.0
228.13283	0.5
228.73776	0.3
235.08131	1.6
253.09222	0.5
263.07758	0.3
397.13528	4.1
415.14755	1.9
607.26318	0.4
625.27075	100.0
626.27380	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	625.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74315	0.8
61.98821	1.9
69.30704	0.6
69.31169	0.7
69.94640	0.7
71.01395	1.0
71.46452	1.2
71.46803	0.7
78.98214	0.7
81.24667	0.6
84.35065	0.7
86.83018	0.7
95.54689	0.6
115.22493	0.7
132.48065	0.6
134.06169	0.8
137.22896	0.7
209.11842	2.3
213.10316	4.5
215.11925	0.9
259.55124	0.6
259.63187	0.7
267.11172	0.9
297.12247	0.8
299.14084	1.5
308.37482	0.6
327.09985	0.9
329.14972	0.7
342.12457	0.7
357.14896	1.1
376.30588	0.7
385.14404	1.1
397.13602	0.7
398.14734	1.4
432.12369	1.1
433.13022	4.7
434.13754	2.6
447.14401	2.3
448.15433	8.0
449.16129	6.6
463.17664	14.9
464.18100	2.8
465.19788	1.1
473.15543	1.2
477.19357	2.6
478.19998	1.9
479.20789	12.8
480.20950	1.6
490.16656	1.1
491.17209	22.4
492.17596	3.8
503.17133	1.0
505.18643	4.3
506.19614	6.0
507.20218	2.1
519.19971	1.2
520.21173	2.2
523.19806	2.4
538.22241	18.2
539.22650	3.7
593.24182	6.5
625.26660	100.0
626.17401	1.3
626.26941	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	625.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13473	0.5
61.67880	0.4
62.38299	0.5
70.39821	1.6
95.05022	2.8
125.09690	0.7
134.06104	1.2
139.11302	0.7
165.12880	1.0
186.17203	0.5
195.13893	1.4
209.11873	3.6
213.10361	8.6
215.11954	0.8
223.13481	0.7
231.10034	3.1
237.10327	0.6
239.12029	0.8
246.12431	0.8
278.11322	5.1
279.11526	0.5
291.19662	4.0
293.21179	10.5
294.21759	0.6
299.13962	2.6
309.20755	4.6
315.19412	2.2
319.18872	0.7
328.10965	0.8
331.18900	1.3
341.11813	0.5
342.12488	0.6
356.10217	0.6
356.14200	0.8
357.14709	0.6
383.16486	0.5
384.13574	0.6
385.14105	1.4
398.15060	0.9
418.10654	1.0
419.15369	0.9
420.16293	0.7
432.12122	1.2
433.12976	4.7
434.13712	2.3
439.21255	1.0
447.14450	4.0
448.15317	8.4
449.16034	6.3
450.16632	1.2
462.17303	0.5
463.17758	18.9
464.18228	3.4
465.19156	1.0
476.14578	0.6
477.19467	3.3
478.20068	3.3
479.20932	14.7
480.21039	1.6
485.24207	0.5
489.15405	0.8
490.16171	0.9
491.17209	30.0
492.17612	3.6
493.22580	0.6
505.18558	3.6
506.19537	7.4
507.20129	2.8
519.20258	0.9
520.21344	2.2
523.19659	2.1
524.20270	0.6
537.21790	0.9
538.22217	27.8
539.22894	8.3
540.23431	0.8
593.23950	6.1
594.23901	0.9
625.26636	100.0
626.26959	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	625.2632
Annotation	Hanburinone
Peak:m/z	Relative Intensity
56.10358	0.4
56.75670	0.4
56.87491	0.5
57.03470	0.6
59.01390	3.0
61.98833	25.9
62.96422	0.5
69.03453	0.9
70.29349	2.1
71.01376	1.3
71.05032	0.4
77.71568	0.5
78.43121	0.5
78.91891	2.2
78.95904	51.9
80.96509	0.6
83.05029	0.9
88.87975	0.5
96.96022	0.7
96.96960	11.7
97.02950	3.3
98.19971	0.6
101.02429	0.7
108.05718	0.5
109.06622	0.8
110.48545	0.5
111.08157	3.2
125.09713	0.7
134.98524	0.8
137.09666	0.6
139.06599	0.5
141.01897	0.5
150.97987	0.7
152.99591	37.8
153.08006	0.5
153.99966	0.7
155.10751	1.3
156.03798	0.5
163.11295	1.0
165.12807	1.7
169.12354	1.5
171.10234	2.7
177.61400	0.5
181.12311	1.5
193.12283	0.8
197.02834	0.5
197.11827	14.1
198.12119	0.9
199.09734	1.7
199.13417	0.9
207.10265	0.8
209.11800	2.9
211.13385	3.0
223.00140	1.1
225.00740	0.6
227.12863	1.7
241.01187	25.0
247.20717	1.3
259.02304	0.9
273.18509	0.8
291.19647	7.8
292.19962	0.6
309.20609	5.6
315.04858	3.7
329.06677	0.6
397.13431	1.0
415.14352	0.6
445.19888	5.1
537.54584	0.5
625.26251	100.0
626.26678	10.0
628.54736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.1
59.01379	1.7
61.98843	1.8
67.26656	0.4
69.03436	0.5
69.20203	3.7
71.01373	1.3
73.92583	0.5
78.95906	51.6
80.02669	0.6
80.91698	0.7
80.96529	1.1
81.03453	0.6
83.01390	1.5
83.05042	1.4
88.98808	1.2
95.05045	0.7
96.96017	0.9
96.96965	11.3
97.06586	1.3
98.03718	0.7
111.08157	0.5
113.09742	0.5
123.04480	0.5
123.08157	1.1
125.09750	2.0
127.11271	0.5
129.74733	0.4
139.11284	1.4
151.11328	1.8
152.99586	31.7
153.12840	0.5
163.11241	2.3
165.12857	4.5
167.10733	1.2
179.10713	0.5
181.12341	3.1
191.10750	1.6
193.16022	0.7
207.10236	0.7
209.11833	13.4
210.12007	0.4
211.13367	1.1
219.18016	0.4
223.00108	1.5
241.01184	26.0
242.01605	0.6
247.20621	2.8
259.02325	0.9
263.20221	0.6
265.21832	0.8
273.18561	0.8
281.21066	0.7
291.19641	9.6
292.19934	0.6
296.38397	0.5
309.20715	5.2
315.04816	3.7
333.05780	0.5
380.19400	0.4
380.24304	0.4
445.19980	5.4
477.86456	0.5
549.38586	0.5
625.26288	100.0
626.26672	10.0
626.36041	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13395	0.4
51.93394	0.4
56.30767	0.4
57.03464	0.6
57.09277	0.4
59.01379	2.4
61.98829	12.4
66.89185	0.4
71.01382	1.3
71.36306	0.4
75.00845	0.5
78.95902	49.2
79.95722	0.5
80.02670	0.7
80.96516	4.1
81.03453	0.7
81.74935	0.5
83.01379	2.3
83.05010	0.9
85.02930	0.6
93.03446	0.5
94.98112	0.8
95.05032	0.5
96.96961	10.8
97.02969	1.2
97.06577	1.0
98.03746	0.6
101.02437	0.6
103.34442	0.5
123.04544	1.1
123.08144	0.7
125.02461	0.5
125.06036	0.5
125.09702	3.0
129.09258	0.5
134.03452	0.5
137.09726	1.0
139.11247	2.6
152.99586	32.6
155.10637	0.5
162.20302	0.5
163.11244	1.8
165.12833	4.4
167.10742	1.4
171.00670	0.6
171.10278	0.5
181.12285	0.9
183.10336	0.7
191.10732	0.8
193.12355	0.5
193.15977	1.5
207.10220	1.0
209.11855	9.0
210.12300	0.6
211.13408	0.8
223.00075	1.5
225.00766	0.8
225.11363	0.5
241.01167	23.2
242.01575	0.5
243.12369	0.8
247.20633	3.9
259.02173	0.5
273.18619	1.1
281.21378	0.5
291.19650	14.6
292.20132	1.1
309.20731	6.0
315.04910	3.8
388.88080	0.5
415.14441	0.8
445.19852	4.9
487.66119	0.5
585.28870	0.5
615.34564	0.7
625.26306	100.0
626.26532	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	625.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	50.0
61.98824	0.8
64.66438	0.6
70.60439	1.0
70.60780	1.3
71.01361	2.8
71.05015	2.6
73.02940	1.5
83.05060	0.8
85.02958	0.9
87.04504	1.4
89.02439	1.1
90.61291	0.7
96.72193	0.6
96.96004	2.7
99.04517	8.5
99.08160	4.1
101.02458	1.5
101.64236	0.7
102.11482	0.7
103.00368	7.0
115.04002	6.8
115.07635	1.0
117.05589	4.4
120.21757	0.6
125.06126	0.7
134.03732	1.8
135.04536	0.7
135.08170	0.7
141.09221	6.1
143.07150	4.3
148.03378	0.6
148.98834	0.6
151.03951	0.8
153.09245	2.7
161.08191	100.0
162.08563	1.7
171.10278	7.1
178.02658	1.2
185.08208	1.4
193.05035	4.8
196.30898	0.6
197.08148	1.1
201.07559	0.6
203.09236	19.3
209.11810	7.9
215.09227	27.1
216.09595	1.2
225.07533	2.1
227.12904	2.3
247.08211	1.7
269.06433	1.2
312.06079	1.0
346.59756	0.7
377.14505	10.9
378.14819	0.9
397.13480	3.6
415.14597	2.2
625.16455	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	625.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.7
61.98815	1.6
64.84129	0.3
69.33175	0.3
69.90287	1.2
69.90697	0.5
71.01377	1.1
78.04561	0.4
78.91853	0.4
78.95905	5.3
79.95733	3.5
80.96521	2.4
82.96114	1.2
85.02963	0.3
88.99304	0.3
94.98080	0.7
96.96009	100.0
110.00250	0.3
125.02444	0.3
152.98499	0.5
152.99582	3.3
163.01358	0.3
165.12862	0.9
165.93359	0.3
177.01802	0.3
181.12315	0.5
191.23532	0.3
209.11783	3.0
211.13300	0.5
219.90961	0.3
225.00723	0.4
241.01112	2.3
291.19534	1.0
309.20654	0.5
315.04822	0.4
389.16473	0.6
422.53937	0.3
551.31799	0.4
565.23120	0.8
617.18927	0.3
625.26825	12.9
626.26855	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27915	2.0
57.03451	1.7
57.78078	1.5
58.00570	1.5
59.01382	36.5
59.01679	2.1
59.94923	1.4
71.01377	25.1
71.55013	2.8
72.99302	2.5
73.02939	5.7
81.03446	2.4
83.01376	4.0
83.05025	6.3
85.02967	4.6
87.00860	5.0
89.02445	21.9
93.03481	2.1
95.01420	1.9
95.23430	1.5
96.95995	4.6
97.02952	4.2
99.00861	3.1
101.02439	20.1
111.00873	2.8
113.02451	10.5
116.58674	1.7
119.03493	6.8
125.02425	5.8
131.03503	2.4
133.02921	2.9
135.04507	3.9
137.51785	1.4
143.03435	4.2
147.04486	1.5
149.02480	12.2
150.03201	13.6
161.02457	1.5
161.04524	4.4
163.11285	5.2
164.04836	2.6
165.05537	14.1
165.12845	2.6
166.06221	2.1
177.03337	1.6
179.03456	4.4
179.05591	4.1
180.04260	1.7
181.08673	2.0
181.12277	2.5
191.10796	2.4
194.02306	1.5
195.06615	5.6
199.13370	16.1
209.11819	100.0
210.12027	3.1
221.06700	1.7
227.12886	55.4
235.08231	7.3
245.13942	1.7
248.96165	1.8
253.09425	2.1
268.68854	1.7
269.55521	1.5
283.95215	1.6
305.08588	1.9
325.12823	2.7
329.14090	4.0
397.13489	48.8
415.14581	25.4
473.18164	20.3
491.19147	6.1
533.20166	15.1
565.22192	2.2
581.22260	9.0
625.26965	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	624.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30721	0.1
59.01379	4.0
60.01716	0.2
61.98829	100.0
69.03452	0.2
71.01381	2.8
71.56097	0.2
71.56492	0.2
72.01708	0.3
72.99286	0.2
73.02946	0.6
78.98587	0.3
79.95741	0.7
80.96516	2.9
82.76128	0.2
83.01408	0.3
85.02944	1.4
86.50897	0.2
87.00898	0.4
88.98818	1.2
89.02434	1.3
94.98109	0.8
95.01390	0.2
96.96012	1.0
97.02940	0.3
99.00868	0.2
101.02454	1.8
105.03473	0.2
111.00884	0.2
113.02425	0.9
115.80301	0.1
117.27844	0.2
119.03526	0.4
125.02435	0.3
133.02956	1.2
134.03764	0.5
137.02449	0.2
143.03511	0.3
148.99107	0.2
152.98631	0.3
161.04576	0.3
164.98666	0.5
171.10222	0.3
177.01877	1.2
178.02716	0.7
179.03554	0.2
182.40674	0.1
183.13985	0.3
207.10120	0.2
209.11768	0.3
211.13454	0.4
224.63464	0.2
225.00740	0.8
227.12869	0.3
235.61749	0.2
253.09415	0.3
265.14313	0.8
314.68817	0.2
327.21695	0.4
328.22018	0.5
376.28174	0.2
392.83060	0.2
402.25287	0.2
419.26749	0.2
420.26846	0.4
427.20026	0.4
489.02603	0.2
521.32971	0.2
550.28052	0.2
563.30890	0.8
564.30914	4.1
565.31653	0.2
580.24323	0.2
580.34381	0.8
581.32397	0.4
582.32056	3.2
624.24481	1.5
624.34308	0.6
625.25323	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	623.2738
Annotation	(-)-Limacine 2'-beta-N-oxide
Peak:m/z	Relative Intensity
59.01367	3.0
61.98826	14.5
63.47680	0.6
63.96227	1.1
65.00941	0.6
69.67635	2.3
69.68059	2.3
71.01392	7.5
73.02919	1.5
78.95917	1.1
78.98580	4.8
79.95735	12.4
80.96515	62.2
81.03430	1.3
85.02934	4.0
87.00868	2.6
90.46157	0.8
94.98089	15.9
96.96017	1.1
97.02943	1.1
101.02428	2.8
106.98074	3.1
107.30799	0.7
109.06532	0.9
109.81563	0.7
122.97559	2.1
125.02439	2.8
134.97610	4.1
136.99112	0.9
148.99158	5.5
152.98625	5.4
164.98608	10.2
187.99217	0.8
206.99657	2.0
207.10295	4.8
225.00751	13.2
225.11275	3.0
299.04404	2.7
335.11676	0.8
336.22504	0.7
397.13626	0.8
415.14322	1.0
572.30536	0.8
573.46411	0.8
623.27344	100.0
624.27576	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	623.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.3
57.03437	3.4
58.00596	2.9
59.01378	84.9
59.99580	1.0
61.98827	24.6
63.64210	0.8
69.03443	3.1
71.01377	48.5
71.56466	1.6
72.99319	3.5
73.02940	14.9
74.18694	1.0
75.00870	2.1
76.23207	1.0
78.98576	1.9
79.95731	14.1
80.96512	27.9
81.03448	1.3
83.01395	8.7
85.02946	22.9
85.51218	1.0
87.00886	7.3
87.04539	1.0
88.98810	1.5
89.02443	16.9
94.98067	5.4
95.01373	5.5
96.96007	12.7
97.02937	5.6
97.06584	1.1
98.95590	2.7
98.96458	1.2
99.00878	6.0
101.02438	35.9
101.03108	2.1
106.98067	1.1
109.06581	2.9
111.00888	5.8
112.01699	1.3
113.01716	1.7
113.02454	24.7
119.03474	6.4
122.97590	1.8
124.01640	1.0
125.02462	7.0
129.01874	1.0
133.01401	1.6
134.97643	0.9
141.36769	1.1
143.03487	3.8
148.99129	2.7
150.06157	0.9
152.98647	2.1
155.10782	1.9
159.02998	2.7
161.04562	6.0
163.11244	1.2
164.98668	5.0
171.10234	6.0
172.64801	1.0
179.05638	1.1
182.99658	1.0
207.10303	4.5
209.11861	1.0
211.13292	2.6
215.97636	1.0
225.00783	7.0
225.11301	4.3
228.83411	1.0
229.14334	2.5
241.00104	1.5
243.71626	0.9
253.09303	8.8
299.04425	1.2
327.21725	19.5
357.26474	2.2
374.26013	1.0
375.27518	10.1
381.09869	1.7
387.24161	1.4
397.13736	1.3
401.25439	7.6
415.14658	1.5
419.26477	15.4
420.27090	1.9
497.17188	1.4
519.31824	2.0
537.32343	2.0
543.15753	1.3
563.30646	100.0
564.31024	9.5
579.33740	26.1
580.33936	3.1
581.31714	74.9
582.32037	7.8
623.23792	53.9
623.33301	12.1
624.24036	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	623.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
57.66273	0.5
58.41405	0.5
59.01379	7.7
61.98832	17.0
63.96231	0.8
64.48467	0.5
65.04024	0.4
69.03472	0.6
71.01376	8.5
71.55695	0.6
72.99297	0.7
73.02939	1.8
75.00865	5.4
76.01183	0.7
77.01295	0.5
78.95901	15.8
78.98574	3.0
79.95737	7.8
80.96516	32.6
81.03447	2.4
83.01400	1.3
83.05014	1.3
85.02959	2.7
87.00881	1.5
89.02437	3.5
94.98088	8.2
95.01385	0.6
95.05016	0.5
96.96001	1.5
96.96970	2.8
97.02960	4.3
97.06584	0.8
99.00890	0.8
101.02428	3.7
106.98083	1.8
109.06593	8.0
113.02443	1.8
119.03471	1.1
122.97565	1.8
123.04511	0.9
125.02464	2.6
125.09731	1.4
134.97591	3.0
135.08144	1.4
136.05276	0.6
136.99194	0.9
137.09695	1.0
142.02650	0.6
148.99126	3.0
152.98579	2.2
152.99622	15.5
161.04509	0.8
163.11302	5.5
164.98622	6.8
165.12897	1.0
171.10229	2.2
179.05598	1.0
181.12311	2.5
185.11798	1.6
191.14354	0.6
206.99637	1.8
207.10252	23.6
209.11800	4.6
211.13393	0.8
223.00127	2.2
225.00743	9.6
225.11310	19.4
226.11736	1.0
241.01196	5.9
243.12498	0.6
245.19116	1.3
253.09335	0.7
263.81918	0.5
289.17953	2.5
291.19785	0.7
299.04373	2.5
307.19125	1.6
311.56622	0.5
315.04678	1.3
327.21793	1.5
371.06665	0.8
397.13507	6.5
415.14526	5.5
455.15619	0.6
457.13788	9.4
523.18420	6.4
524.18134	0.7
539.18280	0.8
605.24780	0.8
623.26471	100.0
624.26837	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	623.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
59.01377	5.3
61.98833	5.9
63.96224	0.5
69.03439	0.7
69.75623	1.4
69.76039	0.6
71.01381	6.5
71.05019	0.3
72.23546	0.3
73.02939	1.4
75.00880	2.0
78.95900	25.9
78.98585	3.2
79.95730	8.7
80.96513	35.7
81.03461	0.9
83.01376	1.1
83.05019	0.5
85.02966	1.9
87.00866	1.6
89.02462	1.8
94.98086	8.9
95.01406	0.5
95.05027	0.4
96.96003	1.4
96.96967	5.2
97.02950	2.1
97.06606	0.9
98.51096	0.4
99.00869	0.7
101.02451	3.2
106.98079	1.5
109.02975	0.6
109.06597	3.3
113.02454	1.3
122.97562	2.0
123.04509	0.9
123.08184	0.6
125.02457	2.2
125.09694	1.7
127.04025	0.5
134.97585	2.6
135.08167	0.7
136.99179	0.8
137.09694	1.2
143.03500	0.4
148.99126	3.4
150.98036	0.4
152.98576	2.4
152.99583	14.7
157.08743	0.4
161.04599	0.7
163.11282	3.2
164.98602	6.6
164.99876	0.6
167.00182	0.5
171.10207	1.8
179.05634	0.6
179.10750	0.5
181.12312	1.0
182.99756	0.5
185.11781	1.5
191.14352	1.2
206.99654	1.8
207.10257	9.7
209.11819	4.0
210.72217	0.4
211.13333	1.2
225.00719	9.7
225.11328	6.6
226.11676	0.4
229.14381	0.4
235.08295	0.4
241.01201	11.9
245.19151	2.2
253.09276	1.4
289.18057	3.9
299.04388	2.4
300.15839	0.4
307.19214	2.5
315.04837	2.1
327.21823	2.8
371.06271	0.6
397.13538	2.1
415.14810	1.8
433.61850	0.4
435.14267	0.5
443.18356	2.5
457.13846	6.6
473.28278	0.4
479.28946	0.4
493.17444	0.6
523.18524	5.7
525.20770	0.6
539.18011	0.6
554.87451	0.4
563.30029	0.5
593.26111	0.5
623.26392	100.0
624.26770	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	623.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78501	0.5
53.32183	0.4
54.96055	0.4
55.01894	0.6
55.38595	0.4
56.79381	0.4
57.34105	0.4
58.00590	0.9
59.01377	22.9
59.88368	0.5
60.68128	0.4
60.70086	0.4
61.98826	2.7
68.99802	0.4
69.03466	1.2
71.01377	12.5
71.05046	0.7
72.99296	1.9
73.02962	2.4
75.00874	6.3
78.95898	3.9
80.02683	0.9
80.96521	2.4
81.03445	3.2
83.01384	1.6
83.05030	2.6
83.68155	0.4
84.02151	0.4
85.02943	3.8
87.00874	3.2
88.98788	2.7
89.02443	14.0
91.04022	0.5
93.03507	0.5
95.01391	1.2
95.04996	0.6
97.02949	11.0
99.00865	2.5
101.02443	10.6
106.04197	0.6
107.05029	1.0
109.06590	26.7
110.03738	1.7
110.06960	0.6
111.04533	1.0
113.02454	5.1
116.90041	0.4
119.03471	3.3
119.04985	0.5
121.06611	2.0
123.04499	0.8
125.02469	3.3
125.09711	1.2
135.04501	0.6
135.08195	4.4
135.70016	0.5
136.05270	1.3
137.02531	0.5
141.01949	1.0
142.02715	3.5
143.03490	1.8
145.10213	0.5
152.99564	1.3
161.04573	1.9
161.09743	2.3
163.11276	19.3
164.11649	0.8
171.00635	1.8
172.00879	0.5
179.05576	2.8
179.10785	1.0
181.12357	6.1
189.09242	1.4
207.10246	98.0
208.10533	3.9
209.11829	1.5
221.06659	1.6
225.11307	77.5
226.11671	3.0
235.08151	3.3
243.12309	2.0
253.09293	1.0
263.07745	0.7
281.13919	0.9
299.14914	3.0
305.08731	1.5
397.13498	23.9
398.13794	1.6
415.08899	1.0
415.14566	21.4
416.14676	1.4
443.18988	1.1
461.20190	1.2
566.23108	0.6
605.24146	2.4
623.25531	100.0
624.25940	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	623.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.9
61.98834	4.5
62.66047	0.6
67.32343	0.6
69.03445	1.1
71.01380	12.5
71.55277	1.0
71.57080	0.7
71.57452	0.7
73.02943	2.8
74.33750	0.7
75.00877	9.5
78.95895	6.7
78.98595	3.2
79.95731	7.1
80.74963	0.6
80.96516	23.5
81.03455	1.7
83.01397	1.5
83.05050	1.4
85.02943	3.8
87.00868	2.7
89.02438	9.1
94.98089	7.0
95.01341	0.7
96.95999	1.0
96.96959	1.2
97.02937	7.5
99.00861	2.0
101.02425	6.9
106.98083	1.4
109.05891	1.2
109.06592	17.1
110.03685	1.2
113.02453	2.9
119.03492	1.5
121.06580	0.9
122.97565	1.3
123.04504	0.6
125.02450	3.3
125.09800	0.8
133.04945	0.6
134.97639	1.6
135.08179	1.9
136.05293	1.3
142.02658	1.3
143.03479	2.1
148.99127	2.5
152.98538	1.0
152.99625	5.8
161.04529	2.3
161.09724	1.3
163.11285	10.7
164.98604	5.1
171.10234	1.5
179.05602	1.4
181.12332	3.7
189.09291	1.1
189.43892	0.7
206.99725	1.2
207.10254	52.9
208.10561	2.0
209.11804	2.4
221.06738	0.9
223.00047	1.3
225.00748	6.9
225.11316	41.4
226.11736	1.7
235.08197	2.1
237.88475	0.7
241.01126	3.4
243.12346	1.9
245.19029	0.9
252.83235	0.8
253.09299	2.1
289.18027	1.6
299.04517	1.2
299.14835	1.4
307.19095	1.3
315.04919	0.7
327.21732	3.2
378.61526	0.7
397.13464	14.4
398.13721	0.9
415.14511	11.2
416.14401	1.1
457.14087	4.2
523.18433	5.5
563.30066	0.8
605.24298	1.7
623.26172	100.0
624.26660	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	623.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01381	4.5
61.44601	0.3
61.98828	3.5
63.96237	0.7
69.03442	0.8
71.01001	0.6
71.01379	6.7
71.48213	0.3
71.55296	0.6
73.02940	1.2
75.00875	1.7
76.81891	0.3
78.95901	23.6
78.98576	2.4
79.95735	8.5
80.02674	0.4
80.96516	35.6
81.03449	1.5
83.01398	1.1
83.05025	1.0
85.02946	2.6
87.00876	1.8
89.02444	2.3
91.04014	0.3
94.98083	9.1
95.01393	0.6
95.04997	0.6
96.96007	1.2
96.96962	5.5
97.02938	3.4
97.06582	1.3
99.00888	0.6
101.02434	3.2
106.98088	1.3
107.05009	0.4
109.02942	0.4
109.06590	4.4
110.03744	0.5
113.02431	1.0
119.03515	0.6
122.97557	1.9
123.04522	0.6
123.08254	0.3
124.89045	0.3
125.02412	2.3
125.09740	1.3
134.97591	2.5
135.08142	0.8
136.99117	0.5
137.09714	0.8
142.02736	0.8
148.99120	3.4
152.98582	2.2
152.99583	13.7
161.04565	0.8
163.11267	3.7
164.71938	0.4
164.98630	7.2
165.15768	0.3
167.10765	0.4
171.10263	1.7
172.10579	0.4
181.12363	1.0
185.11819	0.8
191.10895	0.5
191.14441	1.1
206.99611	1.6
207.10251	13.6
207.12213	0.8
208.10587	0.6
209.11784	2.7
211.13458	0.9
217.16113	0.4
223.00108	0.5
225.00729	10.3
225.11302	10.4
241.01199	10.9
242.01479	0.4
245.18922	1.6
247.92009	0.4
253.09424	0.5
259.02182	0.5
289.18100	3.0
299.04346	2.1
307.19156	1.4
315.04767	2.0
327.21790	1.8
371.06598	0.5
397.13452	3.6
415.14517	3.3
443.18530	2.4
457.13760	6.7
460.34302	0.3
490.56522	0.4
493.17606	0.5
505.70203	0.4
523.18597	5.6
539.18146	0.4
553.19727	0.6
563.34241	0.7
593.25922	0.4
605.23621	0.5
623.26495	100.0
624.26544	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	623.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35283	0.4
57.03438	0.7
59.01372	4.7
61.27381	0.4
61.98832	6.0
63.96228	1.1
69.03461	0.6
69.82540	0.8
69.82937	0.9
71.01381	6.3
73.02951	0.9
75.00875	2.4
78.95901	26.7
78.98598	3.5
79.95733	8.8
80.96515	37.7
81.03458	1.2
83.01392	1.5
83.05017	1.2
84.02185	0.5
85.02953	2.9
87.00879	2.1
89.02448	1.8
94.98086	8.2
95.05008	0.5
96.96001	1.6
96.96950	5.4
97.02948	2.3
97.06584	1.1
99.00826	0.9
101.02438	3.0
106.98122	2.0
108.02238	0.5
109.02927	0.5
109.06585	3.3
113.02436	1.3
122.97603	2.1
123.04495	1.1
123.08138	0.4
125.02423	2.2
125.09720	2.2
127.04078	0.4
134.97591	2.4
135.08154	0.9
136.05249	0.5
136.99106	0.5
137.09686	1.2
142.02658	0.6
148.99133	3.3
149.06026	0.4
152.98578	2.2
152.99617	16.9
161.04579	0.9
163.11296	3.7
164.98627	6.5
169.86586	0.4
171.10281	1.0
181.12334	1.4
182.99701	0.4
185.11842	1.2
191.14456	1.0
206.99608	1.8
207.10237	12.6
208.10541	0.7
209.11781	3.4
211.13391	1.0
223.00150	0.7
225.00723	10.7
225.11314	8.7
226.11638	0.5
241.01181	12.6
245.19150	1.9
253.09227	1.1
259.02151	0.4
289.18073	2.6
299.04425	1.8
307.19147	2.5
315.04880	2.4
327.21774	2.4
371.06393	0.6
381.73691	0.5
397.13550	3.0
415.14252	2.4
443.18256	3.0
457.13907	6.0
458.14429	0.6
523.18536	5.9
525.19379	0.5
539.08508	0.5
539.18396	0.7
581.35181	0.6
623.26324	100.0
624.26550	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	621.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	9.4
63.16390	4.9
71.38595	6.2
78.95892	6.1
96.96026	6.6
115.00388	5.8
133.01430	6.7
135.04539	8.1
135.57605	5.7
160.34274	5.7
165.06099	5.8
291.19498	19.3
293.21231	8.6
309.20673	100.0
310.21082	13.2
311.22308	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	623.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47107	0.4
50.82781	0.4
53.38319	0.4
55.01850	0.4
57.03440	1.2
59.01103	0.5
59.01376	6.0
59.12335	0.4
61.98807	1.2
69.03448	0.5
69.19288	3.7
71.01385	3.8
73.02953	0.5
75.00874	0.9
75.58372	0.4
78.91871	1.5
78.95899	49.6
80.02663	0.9
80.96504	0.9
81.03445	1.9
83.01382	1.6
83.05006	1.3
85.02953	1.0
86.67131	0.4
87.00878	1.0
88.98773	0.5
89.02441	3.3
93.03501	0.7
95.01393	0.5
95.04993	0.8
96.96017	0.4
96.96956	9.7
97.02949	3.1
97.06572	1.7
99.00912	0.6
101.02409	2.1
102.62611	0.4
109.06588	6.8
110.03713	0.7
111.08125	0.5
113.02408	1.4
119.03524	1.0
121.06564	0.6
123.04482	1.8
123.08104	0.5
125.02433	0.9
125.06018	0.5
125.09734	2.6
135.08142	1.4
137.09677	1.6
142.02676	0.7
150.98012	0.5
152.99576	29.6
161.04543	0.6
162.10324	0.5
163.11285	6.0
165.12848	0.9
167.10751	0.4
171.00703	0.4
179.05562	0.8
179.10786	1.0
180.16391	0.4
181.12398	2.5
185.11768	2.2
191.10762	1.6
191.14384	1.7
207.10245	20.8
208.10571	1.1
209.09918	0.5
209.11807	6.2
211.13417	0.8
217.16136	0.7
221.06731	0.4
223.00125	0.9
225.11296	15.6
226.11670	0.7
233.93619	0.4
235.08200	0.8
241.01170	21.4
245.19093	3.5
259.02264	0.6
289.18066	6.2
307.19125	3.7
315.04858	3.6
397.13504	5.9
415.14523	4.6
443.18311	5.1
604.89178	0.5
605.23755	0.5
623.24823	100.0
624.25293	10.8
624.35724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29207	8.3
55.45100	7.9
58.67828	9.2
59.01390	16.7
61.98825	30.5
65.48975	8.7
69.78355	52.1
71.01380	9.6
96.95995	9.7
111.08112	12.0
159.10176	10.7
197.11826	31.6
211.13380	12.0
264.30685	9.2
293.21252	25.4
309.20822	42.7
311.22278	100.0
370.89957	10.2
586.48053	11.4
621.29315	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	621.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	9.4
63.16390	4.9
71.38595	6.2
78.95892	6.1
96.96026	6.6
115.00388	5.8
133.01430	6.7
135.04539	8.1
135.57605	5.7
160.34274	5.7
165.06099	5.8
291.19498	19.3
293.21231	8.6
309.20673	100.0
310.21082	13.2
311.22308	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	621.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
59.01381	2.0
59.13100	0.8
61.98818	2.6
71.55714	1.2
77.25800	0.9
80.02674	2.4
81.03463	2.4
83.01383	4.2
83.05024	2.3
86.68835	0.9
93.03451	3.9
95.05033	2.6
96.96004	1.3
97.02923	1.9
97.06575	4.2
102.50542	0.9
109.02943	1.3
121.06599	1.1
123.04504	3.4
123.08200	1.4
125.06129	1.2
125.09698	6.7
127.07592	0.9
135.08173	1.6
137.09720	4.1
148.08980	1.3
149.09724	1.3
150.10492	1.3
151.11258	1.1
163.11267	9.9
165.12836	32.5
166.13182	1.4
167.10713	1.2
171.10271	0.9
175.07353	2.6
175.11272	1.2
177.12833	1.4
179.03529	1.1
179.10750	1.4
181.12303	1.7
185.11813	4.5
191.10762	2.5
191.14397	7.2
207.10211	5.1
209.11819	37.3
210.12167	1.5
217.16042	1.7
225.11348	4.1
231.10004	45.8
232.10359	2.4
233.11580	3.6
235.09525	1.3
244.10794	5.6
245.19115	12.0
247.20624	13.7
248.21198	0.9
249.10991	1.2
263.20398	1.1
271.17001	1.6
273.18533	7.5
285.18314	3.6
289.18088	33.1
290.18378	2.2
291.19644	100.0
292.20142	5.2
305.15973	1.0
307.19144	32.5
308.19562	1.9
311.16290	1.3
313.17828	17.5
317.17264	7.2
329.17377	20.7
426.78043	0.9
474.54791	1.1
523.30359	5.8
621.37720	48.1
622.37830	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	621.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.9
57.03447	3.4
58.00591	2.1
58.71088	0.2
59.01379	90.2
60.01697	0.6
60.23711	0.3
68.99818	0.3
69.30399	0.6
69.30823	1.5
71.01381	60.6
72.01754	0.5
72.99304	2.6
73.02945	14.1
75.00871	1.0
81.03468	0.4
82.95432	0.3
83.01389	6.9
84.02188	0.3
85.02951	26.4
86.00077	0.4
86.03304	0.3
87.00881	4.6
87.04511	1.8
89.02444	27.6
95.01383	5.5
96.96014	2.6
97.02950	2.0
98.20640	0.5
99.00883	5.8
101.02441	35.3
102.02780	0.7
111.00867	2.0
112.01677	0.7
113.02447	29.0
114.02764	0.5
115.00399	0.5
115.04020	0.4
119.03498	9.9
124.01675	1.4
125.02457	4.1
129.01952	2.1
131.03520	1.0
141.01920	0.3
142.02698	0.3
143.03491	4.6
149.04602	0.3
159.02994	2.0
161.04553	10.8
162.17528	0.2
169.12334	0.3
179.05582	2.4
179.14485	0.3
223.13193	0.2
241.00301	0.8
255.19682	0.4
284.03546	0.4
383.11536	0.3
399.23828	10.3
400.24078	0.7
417.15961	0.5
417.24918	10.3
418.25302	0.6
459.25885	1.1
487.25162	0.6
525.27002	0.9
531.28369	0.4
541.06628	0.8
561.29126	100.0
562.29468	8.7
577.20819	0.3
577.32281	1.2
579.30182	75.0
580.22406	0.2
580.30511	6.9
621.31262	20.1
622.31665	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	621.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41241	0.2
52.99257	0.2
55.54838	0.2
59.01376	1.4
61.98826	3.3
68.56017	0.2
68.78120	0.3
71.01377	1.2
71.56168	0.3
72.30344	0.2
72.99312	2.3
75.00874	100.0
76.01203	0.8
82.38293	0.2
89.02449	0.4
91.43442	0.2
96.96030	0.3
101.02444	0.6
101.88232	0.2
113.02471	0.2
114.46531	0.2
115.00369	0.2
152.99583	0.3
171.10271	6.2
175.07767	0.2
187.07736	0.3
202.09111	0.2
242.35408	0.2
253.09305	1.1
291.19647	0.6
293.06958	0.2
309.20724	2.7
310.21246	0.3
456.43622	0.2
505.24097	0.3
593.62482	0.3
603.29987	0.3
621.33209	1.2
622.32953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35882	0.3
55.01878	1.3
55.54786	0.3
57.03444	1.4
58.00608	1.1
59.01381	33.5
61.98829	0.7
65.58871	0.3
69.03439	4.4
69.16843	2.9
71.01382	23.4
71.05032	1.2
72.99310	2.0
73.02946	4.1
75.00898	0.5
80.96506	0.3
81.03471	1.1
83.01395	2.6
83.05045	0.4
84.02164	0.3
85.02954	5.6
85.06581	0.7
87.00879	4.6
87.01365	0.3
89.02444	24.9
91.04018	0.3
93.03439	0.3
95.01405	1.8
95.05046	0.5
96.96017	2.8
97.02950	3.9
97.06615	0.3
99.00861	1.8
99.04519	0.5
101.02443	18.9
103.03994	0.3
107.08647	0.3
108.05798	0.3
109.02956	0.4
109.06572	0.7
111.00893	0.4
111.04536	0.7
111.08109	0.3
111.48193	0.3
113.02451	9.8
115.03967	0.5
119.03496	6.3
121.02946	0.4
123.04559	0.3
125.02450	5.9
125.09715	0.9
127.03927	0.3
127.11307	0.3
129.02026	0.3
131.03473	1.3
132.09344	0.3
133.05055	0.7
135.11786	0.5
135.39812	0.3
139.04028	0.6
141.02002	0.5
141.09282	0.4
143.03499	3.2
149.04576	0.6
149.09741	0.5
153.09250	0.3
161.04536	3.9
161.13434	0.7
167.03468	0.3
167.10785	4.0
171.10205	0.5
177.12869	0.9
178.54288	0.3
179.05618	4.5
179.10757	1.8
179.14409	4.3
185.04604	0.7
193.48274	0.3
195.13901	11.9
196.14194	0.6
205.12309	9.8
206.12639	0.6
210.48795	0.3
217.07132	0.4
221.06638	1.6
223.13385	100.0
224.13745	4.0
235.08202	6.8
245.06801	0.3
253.09348	2.1
255.02957	1.9
263.07715	0.8
277.09122	0.6
279.41599	0.3
283.02469	0.8
287.07822	1.6
305.08789	2.1
323.09851	0.7
325.20209	0.3
342.18613	0.3
355.25259	1.4
355.28732	0.3
361.11368	0.4
373.25858	3.4
379.12534	0.4
381.09851	2.7
397.13489	60.4
398.13831	2.2
399.10901	1.9
415.14560	31.4
415.19028	0.5
416.14731	1.5
446.08948	0.6
535.31299	0.4
577.32141	5.6
578.32660	0.5
621.27496	10.9
622.27631	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03455	1.2
58.00593	1.4
59.01379	34.9
61.98825	0.7
68.99831	0.3
69.03438	4.3
70.55318	0.6
70.55672	0.6
71.01381	22.8
71.05032	1.0
72.99310	1.4
73.02940	3.8
75.00890	0.5
81.03484	1.4
83.01389	2.5
83.05035	0.9
85.02953	4.7
85.06588	1.0
87.00880	5.0
89.02442	25.5
91.03999	0.6
93.03490	0.6
95.01379	1.5
95.05038	0.5
96.95994	0.7
97.02940	3.4
97.06624	0.4
98.19908	0.3
99.00886	1.7
99.04543	0.3
101.02441	20.4
103.04021	0.4
106.04199	0.3
109.02959	0.4
111.04531	0.4
112.52855	0.3
113.02454	9.1
115.04010	0.5
116.33101	0.3
119.03502	6.2
121.02956	0.4
125.01548	0.3
125.02453	6.7
127.04003	0.4
131.03519	1.0
133.05063	0.8
134.21994	0.3
135.11771	0.4
139.03989	0.6
141.01904	0.6
143.03479	2.9
149.04543	0.6
149.09709	0.7
161.04555	4.3
161.13269	0.6
167.03467	0.4
167.10759	3.8
169.05054	0.5
177.12849	0.7
178.63449	0.3
179.05603	4.4
179.10815	1.5
179.14417	3.7
193.12282	0.3
195.13901	12.4
196.14311	0.6
205.12323	11.3
217.07097	0.6
221.06522	1.4
223.13380	100.0
224.13724	4.3
235.08217	7.3
235.10399	0.6
236.08664	0.4
245.06581	0.4
252.73801	0.3
253.09431	1.6
255.03009	3.3
263.07755	0.8
277.09271	0.5
283.02478	1.4
284.03326	0.3
285.03952	0.3
287.07700	2.0
305.08716	1.9
323.09772	1.3
325.20078	1.1
373.26132	0.7
379.12326	0.7
381.09766	4.9
390.52460	0.4
397.13483	63.8
398.13849	3.8
399.11139	1.6
399.15643	0.5
415.14539	30.7
416.14929	1.7
422.75513	0.3
446.08389	2.6
543.15137	0.5
577.32281	2.7
578.32367	0.4
621.27496	11.2
622.27948	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
58.00572	0.7
59.01379	32.0
67.36332	0.6
68.99811	0.8
69.03442	0.8
69.04973	0.7
71.01004	1.2
71.01382	18.3
71.56065	1.0
72.99316	1.1
73.02945	5.0
77.55368	0.6
81.03471	0.9
83.01377	2.8
83.05012	0.6
85.02951	9.2
87.00855	1.5
87.04479	0.6
89.02443	9.3
95.01384	2.8
96.96003	6.5
97.02944	0.6
98.55074	0.7
99.00886	1.3
101.02441	12.1
105.98492	0.6
109.02936	1.7
111.00854	0.8
113.02448	8.2
117.95650	0.6
119.03523	2.8
123.00875	2.1
123.04544	0.7
124.01620	1.0
125.02456	1.4
129.01924	0.7
131.03506	0.6
137.02432	9.8
139.03975	0.9
143.03464	1.2
149.02428	1.2
150.99173	1.3
151.00366	18.3
151.03893	1.5
152.01096	1.1
152.04794	2.0
161.04530	2.8
163.04005	1.5
164.04857	0.8
166.02707	55.6
167.03427	3.0
168.17610	0.7
175.03946	1.0
177.01910	2.1
178.02675	1.3
179.03491	0.8
179.07196	0.8
181.05060	68.7
182.05247	1.4
184.03812	0.7
189.05470	0.7
192.04214	1.4
193.05034	0.7
205.08691	1.5
207.06682	1.2
211.13344	1.5
223.13173	0.7
229.14400	1.7
241.00243	1.3
299.05579	0.7
329.10376	1.0
359.11377	1.7
373.18951	1.3
387.10876	14.9
388.11261	0.9
399.23758	2.4
402.13229	5.5
415.19693	25.1
416.20221	1.6
417.15530	100.0
418.15857	8.2
459.07065	0.9
541.06580	1.8
561.29114	20.4
562.29279	1.2
577.32062	1.7
579.30133	15.4
580.30676	1.1
621.31244	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	621.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47480	0.1
59.01374	0.3
61.98851	0.1
69.64153	0.1
71.01380	0.6
71.08907	0.2
72.99297	0.1
78.95890	0.6
79.95737	2.8
88.40986	0.1
89.02450	0.2
96.96009	100.0
97.95933	0.3
101.02473	0.1
111.04502	0.2
111.56365	0.1
115.00374	1.0
119.05058	0.1
121.02950	0.4
123.04536	0.1
131.07124	0.4
133.01428	1.8
133.06601	0.7
165.08311	0.1
177.05579	0.4
209.04549	0.2
223.09692	0.5
239.09340	0.2
255.10199	1.4
299.09189	0.9
415.14691	0.1
461.14471	0.4
505.13547	0.3
621.24152	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
62.74850	2.8
68.20702	2.3
69.03451	4.0
69.63712	4.8
69.64117	8.4
69.86708	2.3
86.11167	2.5
88.89606	2.5
97.02942	15.1
97.69154	2.7
125.09721	2.4
135.36052	2.7
137.09691	3.7
163.11342	3.1
165.12819	6.4
171.10226	7.7
191.12753	2.2
209.11771	4.4
215.11473	2.3
227.75655	2.5
247.20688	7.4
273.18542	3.5
291.19666	56.0
309.20685	100.0
310.20926	4.7
552.67749	2.7
619.22931	2.6
636.95325	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	619.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66776	1.5
57.03447	1.8
59.01376	4.3
61.98829	6.9
62.93591	1.4
66.78618	1.4
70.87106	4.3
78.95896	4.8
80.02702	1.8
81.03426	1.7
83.01379	3.7
83.05018	1.9
94.07446	1.3
96.95977	3.0
97.02930	2.4
121.10240	1.7
123.04498	2.1
123.08121	2.3
125.06038	2.0
125.09714	6.6
127.11323	2.8
135.08224	1.6
137.09714	2.3
138.63443	1.6
139.11258	5.1
151.11215	2.3
152.99571	4.1
155.10793	1.7
161.58960	1.5
161.99092	1.6
163.11266	5.9
165.12846	4.3
165.66940	1.8
167.10759	2.2
171.10281	21.7
171.72372	1.3
181.12372	3.6
183.10429	1.7
185.11877	8.2
191.10803	2.2
191.14371	4.8
193.12350	3.5
197.11697	1.7
207.10260	2.2
208.00690	1.6
209.09894	2.4
209.11844	37.4
211.13362	5.6
221.71994	1.6
225.11295	2.5
245.19063	12.4
289.18097	42.6
293.21271	14.8
307.19162	40.7
308.19452	2.1
309.20761	8.1
311.22296	100.0
312.22562	7.2
362.68591	1.6
483.40219	1.5
519.58344	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	619.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.1
65.39867	2.3
69.03466	2.3
69.48369	1.9
69.78048	10.9
71.01356	3.7
77.20277	1.9
91.67465	2.1
97.02950	13.2
98.20567	2.8
103.47315	2.2
125.09731	2.0
133.52249	2.2
137.09669	4.5
165.12959	2.7
171.10287	6.6
195.13899	4.9
211.13411	3.6
215.82599	2.0
221.15500	2.9
222.46408	2.1
253.09323	4.8
273.62140	2.1
291.19614	24.5
292.19839	2.7
309.20697	100.0
310.21033	7.4
323.22272	19.7
496.10468	2.4
531.37872	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	619.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69096	2.1
51.69345	1.8
59.01380	46.7
61.98841	11.1
66.32431	2.1
68.99558	2.6
71.01380	25.4
71.56011	3.2
72.99316	5.4
78.95941	2.3
85.02937	5.1
89.02455	8.4
96.96019	6.1
97.02946	2.2
101.02451	7.5
111.08167	3.2
111.14113	2.0
113.02430	5.3
115.00385	13.8
133.01450	11.0
146.03819	3.2
159.04462	2.7
161.04611	3.6
161.06032	3.3
161.67294	2.2
171.10205	2.6
174.03279	3.6
175.03955	3.1
175.07632	6.3
187.07687	10.5
189.25238	2.3
191.71446	2.3
200.04800	2.6
201.05496	3.0
203.07101	10.1
205.08749	3.3
211.13394	8.5
215.07092	4.9
225.14952	4.4
229.08667	6.0
230.09538	2.5
247.09706	11.0
248.10336	5.0
253.09299	20.6
253.14333	2.9
283.13181	2.6
291.19537	11.9
300.13586	2.6
301.14407	2.2
303.50793	2.3
305.21161	3.5
323.22253	100.0
324.22559	3.9
325.14722	2.6
343.15573	4.4
344.16171	7.1
361.16525	4.2
441.22733	14.6
459.23834	6.0
485.21774	3.9
503.22623	25.4
504.23404	3.7
520.87720	2.2
559.31177	3.6
575.34399	38.7
581.26953	2.5
583.27643	2.5
619.31390	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	619.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
57.74390	1.0
59.01380	16.6
61.98832	8.5
63.56997	1.0
64.17793	1.0
70.27440	1.3
71.01383	11.6
71.05031	1.4
72.99306	22.5
75.00893	7.6
78.95903	5.9
85.02943	1.8
85.74724	1.1
87.00873	1.5
89.02468	5.6
96.96025	2.5
101.02451	6.0
109.02975	1.0
111.08138	2.3
113.02452	3.3
115.00380	7.6
119.03439	1.3
133.01460	6.0
147.04498	1.4
152.99614	8.7
158.03749	1.5
159.04468	1.7
161.04558	2.7
161.05952	1.0
171.00603	1.9
174.03174	1.7
175.04089	1.4
175.07643	2.0
176.04747	1.9
186.06746	1.2
187.07651	4.8
188.04776	1.2
189.05556	1.7
193.12280	1.6
195.13873	2.0
197.11809	2.9
201.05553	5.0
201.09320	1.6
203.07140	7.6
204.07748	2.1
205.08635	3.0
205.69098	1.3
211.13387	4.6
215.07103	1.8
221.11896	1.3
222.12589	1.4
225.14954	2.5
229.08701	4.1
230.09447	2.3
235.08234	1.9
236.38358	1.2
243.17912	1.1
247.09695	8.1
247.20602	1.6
248.10497	3.0
253.09302	28.7
254.09343	1.8
273.18652	2.2
281.41486	1.4
291.16669	1.6
291.19678	19.1
301.14551	1.3
305.21176	2.7
309.20715	2.6
311.22150	1.2
319.15393	1.4
323.22247	100.0
324.22583	5.4
327.01611	2.4
343.15622	1.4
344.16080	3.0
346.12823	3.5
346.63196	1.4
441.22781	7.7
458.21298	1.3
459.23874	4.5
485.21643	2.0
503.22833	17.2
504.23468	1.7
559.30933	3.0
575.34186	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	619.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.1
60.99306	15.9
61.98835	0.4
71.01385	1.1
79.93291	0.3
82.21230	0.3
87.00864	2.2
88.00386	3.8
88.01224	0.4
88.98805	100.0
89.02441	40.1
89.99121	0.4
90.02785	0.4
96.96015	0.4
97.14828	0.3
101.02464	0.3
113.02506	0.3
115.00379	0.9
133.01414	0.6
133.02960	0.4
146.28026	0.3
148.91042	0.4
175.04082	0.4
178.02676	0.4
187.56136	0.3
202.66425	0.3
214.66057	0.3
247.09885	0.4
253.09277	0.9
275.09103	0.3
293.21243	1.0
323.22064	1.6
352.31931	0.3
389.83444	0.3
503.23059	0.8
575.34589	2.2
583.21564	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.4
60.99306	16.1
65.79873	0.4
70.65131	0.7
70.65503	0.8
71.01387	1.1
71.25804	0.4
84.56527	0.4
87.00887	2.5
88.00405	3.7
88.98808	100.0
89.02444	38.6
89.99159	1.0
101.02478	0.4
113.29668	0.4
117.57703	0.4
120.54477	0.5
148.90985	0.4
178.02803	0.5
190.97710	0.4
197.11887	0.5
211.13438	0.8
253.09329	2.0
275.81088	0.4
291.19714	1.3
293.21191	1.8
302.72018	0.4
309.20523	0.5
323.22260	4.5
440.07840	0.4
575.49316	0.4
583.21362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.0
57.03431	5.2
58.00579	2.4
59.01378	100.0
59.09903	1.3
61.98838	5.7
69.03468	2.5
71.01381	65.8
71.36131	1.2
71.56104	1.7
72.99302	4.6
73.02943	17.5
81.03435	1.3
82.95403	1.8
83.01385	12.2
83.16777	1.2
85.02947	31.0
87.00872	3.4
88.98801	1.7
89.02439	35.7
91.05465	1.3
93.12965	1.1
95.01389	6.6
96.96004	20.2
97.02959	3.1
99.00869	6.2
99.32872	1.2
101.02438	59.2
113.02446	38.5
113.03112	0.9
113.03243	1.5
119.03486	16.8
125.02419	8.0
131.03517	2.9
133.01385	2.3
135.04520	1.9
143.03503	8.1
145.95372	1.2
149.04533	3.0
151.00362	1.4
155.03462	5.1
159.03000	2.2
161.04562	27.5
168.80815	1.2
179.04132	1.9
179.05603	20.2
196.03761	1.2
203.05598	24.7
232.41011	1.2
371.20407	3.1
413.21918	6.1
418.20932	1.3
533.26019	54.2
534.26202	4.2
559.27271	6.7
575.27026	30.2
576.27393	2.0
577.28656	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	619.261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30351	1.4
55.01875	4.7
57.00296	1.6
57.03449	5.6
58.00594	2.6
59.01381	100.0
61.98826	5.9
69.03467	3.6
69.37139	12.7
71.01382	76.7
72.99312	4.0
73.02942	17.4
75.00861	1.9
78.95919	2.1
79.95718	3.4
82.95436	2.3
83.01379	13.5
83.05063	2.2
83.72308	2.0
85.02953	33.0
87.00880	6.4
88.98823	2.0
89.02446	35.6
89.64214	1.6
95.01398	7.2
95.25710	1.6
96.96014	76.2
97.02957	5.1
98.20708	3.8
98.95597	2.7
99.00869	8.6
99.92593	2.4
101.02443	53.6
113.02449	38.1
115.00393	3.4
115.03986	1.8
116.92856	3.1
119.03507	14.7
125.02427	5.0
129.01950	2.3
129.11603	1.7
131.03490	1.9
133.01407	4.1
135.04526	2.0
143.03491	7.4
145.09837	4.9
159.03000	3.8
161.04552	19.5
179.05620	5.7
221.11813	4.5
227.06758	4.6
371.20441	4.0
387.84198	1.9
397.13324	3.4
413.21838	7.2
415.23532	3.6
415.31668	2.4
533.26044	72.9
534.26129	5.8
559.27466	26.9
575.27026	43.9
576.27203	4.8
577.28754	18.9
577.36884	2.3
587.22754	2.1
619.29541	8.7
619.37537	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	617.3176
Annotation	Guangomide A
Peak:m/z	Relative Intensity
59.01378	7.3
61.98806	2.4
68.99558	1.0
71.01391	7.8
71.56409	1.1
71.73449	1.0
72.99306	4.8
73.02937	1.9
75.00859	2.3
78.95887	2.0
83.01424	1.1
85.02934	2.1
87.00877	4.1
89.02419	4.9
96.96017	6.7
97.02943	1.7
101.02449	6.3
101.03000	1.1
105.01929	11.7
111.08114	1.4
113.02451	2.0
119.03508	1.2
119.72638	0.9
125.09775	1.0
127.11259	2.2
133.01332	1.3
135.04535	1.6
153.09181	1.1
161.04520	1.5
165.12825	10.7
171.10262	95.4
172.10608	2.2
179.03430	2.5
179.05545	1.1
181.12436	1.0
183.13892	85.3
184.14207	3.0
199.09868	1.5
208.48572	1.0
209.11833	5.9
227.12830	6.1
235.08086	2.5
251.16608	1.9
253.09273	13.6
260.52737	1.1
289.17966	4.1
293.21234	8.4
307.19055	3.1
338.46964	0.9
388.54141	1.3
438.53162	1.1
445.20865	1.7
463.21765	5.1
617.23407	5.6
617.31683	100.0
618.32104	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	617.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16121	0.8
56.01830	0.8
57.03471	0.9
57.64591	0.8
59.01380	5.1
61.98826	3.3
69.03467	1.3
71.01382	9.2
71.55466	1.7
75.54777	0.8
78.95871	0.8
81.92617	0.9
83.01391	1.1
83.05023	2.5
85.02955	1.8
87.00906	1.5
89.02453	2.9
95.05025	0.8
96.96013	17.6
97.02917	1.2
97.06575	0.8
98.95609	1.9
101.02442	2.5
112.98618	0.8
113.02473	2.1
114.75903	1.0
115.00399	2.0
127.11259	2.1
132.53993	0.8
133.01439	1.8
135.04488	1.2
143.53708	1.0
145.82965	0.9
155.96582	0.9
155.98131	0.9
161.04529	1.9
163.11278	2.8
165.12856	1.9
171.10262	100.0
172.10609	2.0
187.07492	1.2
209.11816	86.9
210.12154	2.2
213.14972	2.4
227.12918	13.0
235.08218	3.7
245.11783	1.0
253.09343	9.2
327.12350	1.1
327.15771	0.9
327.63007	0.9
371.14862	1.7
403.15591	1.3
407.19125	1.3
439.21198	1.6
445.20810	1.3
456.21564	1.0
483.20428	1.2
527.28308	1.1
581.27283	12.7
581.35602	1.0
582.27832	1.9
617.24969	8.2
617.33838	1.3
618.25067	1.5
621.47601	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	1.7
57.03456	2.2
57.79134	1.5
59.01378	100.0
61.80973	1.5
61.98825	7.0
69.03453	5.1
71.01382	70.8
71.54957	2.2
72.99307	2.2
73.02952	5.3
79.95686	1.6
81.03452	4.0
83.01393	4.4
85.02947	17.3
87.00906	2.5
89.02446	37.4
95.01387	5.8
96.96011	23.6
97.02970	6.3
97.06546	1.7
98.35639	1.7
99.00873	4.7
101.02437	21.8
113.01707	3.0
113.02450	37.6
119.03498	14.4
125.02436	13.8
127.04039	1.8
131.03517	2.8
142.40581	1.6
143.03485	10.6
149.04503	2.2
155.03510	21.3
161.04541	8.9
179.03447	1.9
179.04027	2.1
179.05618	20.5
203.05605	49.1
212.18977	1.8
246.33821	1.6
277.34470	1.9
362.25687	1.8
401.71207	1.8
489.01419	1.6
573.29364	3.5
579.30029	2.5
617.32074	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	616.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	0.4
68.28072	0.1
70.17135	0.1
71.55874	0.2
78.95901	0.5
79.95740	2.5
80.53746	0.1
96.96011	100.0
104.64904	0.1
152.99550	0.2
171.10400	0.1
241.41193	0.1
259.04852	0.1
276.03903	0.1
285.93234	0.1
374.48074	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	617.004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.31140	0.9
61.98816	1.5
69.86346	3.8
74.03289	0.8
90.97163	1.1
91.76165	1.1
98.19962	1.7
115.02496	6.5
117.00448	6.2
132.98215	4.5
138.59175	0.9
141.00409	0.9
157.03558	2.2
159.01486	61.8
160.01624	3.4
174.99228	38.3
175.99524	0.9
192.95831	6.7
201.02551	12.4
202.02711	1.4
217.00282	88.6
218.00688	1.1
218.98169	1.0
232.98244	2.1
248.96011	0.9
274.99313	7.0
290.97205	3.3
298.99573	1.0
301.02673	25.0
302.02728	2.9
317.00397	61.2
318.00656	4.1
332.98166	20.0
345.59506	0.9
350.21747	0.8
359.01587	4.5
374.99210	35.1
375.99393	1.8
390.97369	1.1
456.98444	1.4
459.01691	6.1
464.93823	1.0
474.99268	30.8
475.99548	2.0
483.61417	0.9
514.97363	1.3
516.86401	0.9
555.00195	2.6
556.98315	42.2
557.98779	4.8
620.51910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	1.7
57.03456	2.2
57.79134	1.5
59.01378	100.0
61.80973	1.5
61.98825	7.0
69.03453	5.1
71.01382	70.8
71.54957	2.2
72.99307	2.2
73.02952	5.3
79.95686	1.6
81.03452	4.0
83.01393	4.4
85.02947	17.3
87.00906	2.5
89.02446	37.4
95.01387	5.8
96.96011	23.6
97.02970	6.3
97.06546	1.7
98.35639	1.7
99.00873	4.7
101.02437	21.8
113.01707	3.0
113.02450	37.6
119.03498	14.4
125.02436	13.8
127.04039	1.8
131.03517	2.8
142.40581	1.6
143.03485	10.6
149.04503	2.2
155.03510	21.3
161.04541	8.9
179.03447	1.9
179.04027	2.1
179.05618	20.5
203.05605	49.1
212.18977	1.8
246.33821	1.6
277.34470	1.9
362.25687	1.8
401.71207	1.8
489.01419	1.6
573.29364	3.5
579.30029	2.5
617.32074	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	615.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	15.1
69.75501	64.9
71.01369	26.9
83.54079	10.2
84.34531	10.9
87.00841	16.6
89.02471	10.7
96.95994	11.9
98.19901	14.5
109.06626	28.3
113.21669	10.8
115.07645	25.8
171.10258	34.2
199.05379	11.3
199.09744	46.4
206.53882	10.3
207.10262	100.0
209.11798	69.8
225.11417	77.5
227.12872	26.6
253.09264	65.6
276.72885	13.1
344.90945	11.5
379.28943	15.7
435.18918	31.1
461.20325	47.5
559.79553	12.9
615.28326	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4053
Annotation	Fucoxanthinol
Peak:m/z	Relative Intensity
57.03450	36.0
59.01378	14.2
61.98803	2.0
68.91985	1.9
69.89069	7.7
71.05003	2.7
76.41824	2.2
76.47232	2.3
78.12184	2.4
78.95900	5.9
83.05013	11.1
97.06552	3.0
98.20535	4.4
107.04973	2.6
109.06580	4.1
121.06631	3.6
123.08121	4.7
135.08162	2.7
137.09711	6.0
145.10251	2.6
147.08209	3.2
149.09688	3.6
159.08163	1.9
163.11270	3.0
170.89328	11.9
171.08195	3.1
175.11282	2.3
185.09682	2.4
189.12860	4.5
203.14360	2.7
211.11214	2.4
224.74664	2.0
227.14340	4.7
233.15424	2.2
244.92928	2.4
245.15465	3.5
312.70233	2.2
318.96756	14.3
389.24503	2.2
435.28973	7.1
456.17090	4.0
474.18423	6.5
496.01962	2.3
513.13605	12.6
514.13196	3.0
527.15100	6.2
539.34998	10.4
540.35211	3.8
555.38074	2.4
557.36334	20.5
558.36615	2.8
561.37518	4.3
579.38721	23.3
597.39435	29.3
598.39911	4.2
615.20319	47.9
615.40503	100.0
616.19763	14.0
616.40686	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	616.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57393	0.2
51.07917	0.2
61.98826	0.5
70.12907	0.2
71.54771	0.2
71.55173	0.2
78.95899	0.8
79.95736	2.4
96.96011	100.0
116.92754	0.2
152.99496	0.3
156.44489	0.1
191.84569	0.2
196.21866	0.2
249.72934	0.2
510.41742	0.2
586.76746	0.2
616.31030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73292	4.7
59.01370	13.8
61.98811	8.9
71.01389	46.2
71.14668	11.5
73.02898	5.9
82.95419	18.6
84.00900	13.9
84.95119	97.5
87.00840	10.9
89.02452	6.9
96.96004	15.8
97.02942	6.0
100.26585	5.3
101.02431	11.1
109.06564	18.7
113.02414	9.1
113.06065	17.2
115.00345	9.2
125.09748	5.1
133.01385	10.4
161.04555	6.5
163.11266	14.3
171.10263	30.8
181.08736	6.3
199.09769	74.0
200.10036	8.8
201.11339	14.9
207.10263	100.0
208.10658	9.6
209.11897	55.5
210.12160	6.6
225.11316	61.5
226.11646	5.8
227.12878	17.8
253.09248	71.3
290.49353	4.5
316.99155	6.1
317.88602	5.5
435.18600	52.5
437.19202	5.5
445.16290	6.7
461.20282	47.1
462.20883	17.9
463.21066	8.3
615.25958	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01215	21.8
55.01699	22.9
56.67710	24.3
56.82202	27.1
59.01380	78.4
61.98822	50.6
71.01376	78.3
71.55771	34.4
96.96014	58.3
97.26286	23.0
101.02441	27.1
109.06592	43.5
115.00388	33.2
116.68704	22.9
144.35889	26.4
171.10269	82.4
199.09764	88.9
207.10263	100.0
209.11815	85.5
225.11342	70.5
241.39104	26.0
253.09273	68.2
314.16785	25.8
318.60330	29.0
435.18539	47.2
461.20416	57.3
499.22726	33.0
580.73950	28.9
615.29974	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93198	14.5
54.75673	14.8
59.01389	18.2
61.98824	22.6
69.69851	13.8
71.01398	17.0
71.55920	28.3
97.98186	12.3
118.52561	14.3
171.10239	20.8
207.10217	27.4
209.11819	24.9
225.11353	23.5
231.85338	15.4
272.97482	15.5
291.19604	68.7
297.41562	15.5
309.20764	100.0
406.01779	16.8
549.68958	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	615.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	1.1
59.01381	15.6
60.25586	0.6
60.99279	0.7
61.98830	64.6
67.01874	0.8
68.24045	0.6
69.03448	2.1
71.01382	10.1
72.99300	1.5
73.02950	6.6
75.00887	0.7
83.01388	6.2
83.72651	0.6
85.02952	2.6
87.00870	2.8
89.02437	2.1
95.01347	0.8
96.96005	5.9
97.02935	0.8
99.00875	5.2
100.01662	2.0
101.02438	6.3
111.00880	8.8
113.02422	3.3
113.99588	41.8
115.00381	19.9
118.96585	0.6
128.01201	3.2
134.03757	1.6
135.04530	1.1
139.00368	1.5
149.04617	0.7
151.00365	0.8
156.00652	41.0
157.01341	1.9
161.04620	1.3
174.01691	100.0
175.02458	5.3
178.02707	1.0
191.01970	1.0
193.04951	1.2
247.23068	0.6
253.09293	0.6
287.16467	2.4
317.77554	0.8
417.21457	0.8
471.22403	2.0
509.23862	0.9
511.21777	13.4
553.23285	1.1
571.23981	0.7
579.29773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.25
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87555	1.1
59.01379	53.6
61.98829	2.2
71.01374	3.8
71.05009	1.3
71.54552	2.1
72.64968	1.4
73.97807	1.2
80.00073	1.2
85.02943	1.6
87.04459	1.2
88.98831	1.4
96.96030	8.3
99.04523	10.5
99.08150	3.4
103.00368	7.9
114.30385	1.2
115.03995	5.4
117.05540	4.2
121.75078	1.4
134.03668	1.4
143.07094	3.1
157.08696	1.4
161.08189	100.0
162.08539	2.0
186.11221	1.4
203.09239	17.9
315.65411	1.3
484.42078	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01379	1.0
71.55296	0.3
83.05040	0.4
95.05029	6.9
96.96002	0.3
97.06595	0.6
113.09746	2.2
125.09754	0.4
135.29707	0.3
140.99721	0.2
177.12788	0.4
179.14372	1.4
181.12419	0.4
195.13890	18.2
196.14285	0.4
217.12030	1.0
227.83987	0.3
231.21149	0.3
233.22746	0.4
237.14774	0.8
246.12340	1.0
247.09366	0.5
249.11079	0.9
249.22179	1.3
251.12723	0.3
277.21692	15.2
278.11365	6.2
278.21948	0.8
279.11804	0.4
281.13757	0.6
290.70032	0.3
295.22763	100.0
296.23117	6.0
299.19974	0.7
315.19348	1.3
317.20950	46.1
318.21347	2.0
323.57779	0.3
331.18634	0.3
361.19965	5.3
455.17252	0.5
462.86569	0.3
473.18369	0.7
493.70432	0.3
512.13220	1.2
526.14441	0.6
613.44312	24.7
614.20282	4.6
614.44531	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	613.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	51.7
60.28754	0.3
61.98822	0.9
70.85088	0.3
71.01393	0.4
71.54783	0.5
81.03490	0.5
85.02962	0.4
89.02455	0.4
95.05014	0.3
96.95997	1.1
97.06611	1.4
101.02441	0.4
131.59143	0.4
133.01469	0.3
134.03741	1.2
135.04443	0.4
135.08162	0.9
147.08133	2.2
149.06039	0.9
157.05295	0.4
165.09225	1.2
181.12338	0.5
207.10269	0.4
225.11319	100.0
226.11639	2.9
289.01669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	13.2
70.45724	7.3
70.49670	14.4
70.50037	14.5
71.01382	31.4
73.02942	12.4
75.61926	7.3
78.95910	15.8
81.15103	6.6
89.02443	9.3
94.13774	7.0
96.96014	15.5
101.02461	8.5
106.96722	6.3
109.06632	12.9
113.02348	7.4
113.06097	14.1
119.03496	7.0
125.09718	9.8
152.99611	16.2
155.10773	11.1
163.11279	8.6
171.10280	38.6
181.08641	10.6
199.09781	100.0
201.11287	17.4
207.10237	91.8
209.11835	53.9
225.11290	54.6
227.12976	12.0
253.09267	68.8
295.22803	9.9
297.23587	10.5
316.15222	8.7
341.68689	7.8
435.18616	59.4
461.20517	43.4
462.20779	10.4
613.28448	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72389	35.1
70.78967	37.6
70.79305	100.0
128.36835	37.0
145.43336	35.3
147.57251	30.6
265.62366	36.6
305.91449	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41202	5.8
59.01379	20.5
61.98835	7.0
70.30433	21.0
71.01382	21.0
75.02883	6.7
78.95912	32.1
82.95423	13.7
85.13605	5.4
89.02438	7.3
94.59032	5.6
96.96021	20.8
96.96987	6.0
99.00816	5.5
101.02454	8.7
105.17818	5.7
109.06585	16.9
113.06100	12.9
152.99600	20.3
163.11372	6.7
171.10278	42.2
195.13869	9.2
199.09763	100.0
201.11331	8.8
207.10251	72.6
209.11823	49.5
223.13376	10.4
225.11325	51.6
227.12946	13.9
229.78447	7.7
243.01808	6.3
253.09268	57.1
279.15945	7.3
296.22928	7.8
297.23416	7.5
312.58246	6.8
347.76227	8.0
435.18524	63.2
446.61206	6.7
461.20267	37.7
536.16705	7.6
613.28729	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92857	1.1
61.98831	7.0
62.76637	1.0
69.37937	4.4
69.38367	5.4
70.17133	1.2
78.95901	51.9
96.96947	11.1
98.20605	1.9
113.09740	1.6
134.98514	1.3
152.99585	42.2
183.13893	1.5
195.13861	7.7
223.00145	2.3
241.01207	22.8
277.21747	9.8
295.22760	21.4
296.23016	1.8
315.04764	5.6
431.21930	5.1
610.44684	1.5
611.28302	100.0
612.28552	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	611.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98796	0.2
71.01359	0.2
78.95893	1.1
79.95740	3.4
79.96198	0.3
80.84204	0.2
86.27215	0.2
96.96009	100.0
97.95954	0.3
141.51137	0.2
171.36731	0.2
184.27240	0.2
196.20172	0.2
277.21735	0.7
351.06039	0.3
516.11804	0.2
622.09277	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79085	0.3
52.16195	0.3
59.01366	1.2
66.87627	0.4
69.80823	1.4
78.95901	47.7
80.96507	0.8
82.96083	0.6
92.42309	0.4
96.96955	9.7
102.64925	0.4
105.18243	0.3
106.49557	0.3
113.09698	1.0
128.28987	0.3
137.31168	0.3
150.97948	0.5
152.99580	34.3
153.99911	0.5
171.00764	0.4
179.14354	0.6
195.13889	13.3
196.14226	0.5
223.00104	1.5
241.01183	23.8
242.01440	0.5
244.02251	0.4
259.02222	0.8
277.21704	10.9
278.21912	0.6
295.22763	39.0
296.23077	2.3
315.04904	3.7
322.76965	0.4
394.87170	0.4
399.31653	0.4
431.21948	5.0
439.46259	0.4
611.28314	100.0
612.28735	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	611.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.1
61.98832	3.4
63.96231	0.7
65.52282	0.3
69.03474	0.4
70.56332	0.5
71.01382	5.7
73.02955	1.6
78.98589	5.2
79.95735	7.8
80.96519	51.3
81.03480	0.7
83.01419	0.4
85.02953	2.7
87.00873	2.1
94.98092	13.6
95.01430	0.3
96.96027	1.3
97.02950	1.0
99.00861	0.6
101.02443	2.7
106.98095	2.5
113.02428	0.4
122.97596	3.1
123.83574	0.3
125.02460	2.7
127.03996	0.6
134.97595	3.6
136.99161	1.6
148.99136	5.3
152.98643	5.5
164.98630	10.2
167.00133	0.4
182.99734	0.4
206.99677	2.3
225.00746	15.6
226.01079	0.5
243.01849	0.3
299.04413	2.8
311.22223	0.6
323.98297	0.3
444.78094	0.3
497.17413	0.3
611.27429	100.0
612.27771	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	611.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.0
61.98819	0.6
63.40826	0.4
69.88151	2.3
78.95892	2.1
79.95747	3.7
96.29485	0.5
96.35735	0.4
96.96011	100.0
96.96999	2.9
98.20627	0.7
100.54893	0.5
114.01259	0.5
114.96500	0.4
118.96638	0.7
127.06425	0.4
131.35014	0.5
228.82590	0.5
274.60272	0.4
277.21680	0.8
326.57318	0.7
351.06039	0.8
421.50787	0.6
518.29150	0.6
529.35004	0.6
611.36902	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.5
61.98536	0.6
61.98831	8.1
62.61294	0.4
63.96235	1.2
65.65688	0.4
66.60860	0.5
69.03446	0.6
71.01382	6.9
71.32404	0.9
73.02937	1.7
78.95884	0.7
78.98589	4.5
79.95733	8.2
80.96519	47.1
81.03455	0.6
85.02962	2.1
87.00875	1.8
94.98097	12.4
96.95991	0.5
97.02949	1.2
101.02431	1.9
106.98100	2.1
122.97580	2.3
125.02453	2.2
127.28694	0.4
134.97589	4.5
136.99124	1.4
146.10089	0.4
148.99147	4.3
152.98622	4.1
152.99695	0.7
164.98621	10.7
171.10275	0.6
193.78685	0.5
196.95790	0.4
206.99721	2.4
214.03531	0.4
225.00737	14.5
245.56248	0.4
293.21219	0.8
299.04434	2.2
299.58917	0.4
414.95953	0.4
472.10602	0.5
611.27435	100.0
612.27753	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	611.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37014	0.5
59.01104	1.1
59.01377	14.4
60.99289	0.8
61.98827	9.0
64.69181	0.8
69.03458	0.7
69.35490	1.8
69.35906	2.7
71.01379	10.4
72.99303	0.9
73.02944	2.2
78.95931	0.6
83.01366	1.8
83.05009	0.7
85.02963	3.1
87.00867	1.8
88.98820	3.0
89.02426	8.6
93.56176	0.6
95.60720	0.5
96.96011	3.8
96.96975	0.6
97.02941	1.7
97.06592	1.1
99.00855	0.9
101.02435	10.3
111.00811	0.5
113.02452	3.5
115.00375	0.7
119.03509	1.5
119.05018	1.2
122.06116	0.8
123.04491	0.6
125.02409	1.9
131.03481	0.7
143.03523	0.9
151.11292	12.4
153.85214	0.6
161.04546	1.1
169.12334	73.7
170.12659	2.6
171.10255	0.7
179.05620	0.8
190.36504	0.6
213.11313	17.3
253.09221	0.7
289.80435	0.6
338.84296	0.6
389.25513	3.8
397.13440	2.2
415.14542	1.2
495.22458	4.3
610.35205	0.9
611.25507	100.0
612.25891	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	611.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05576	0.4
57.03445	0.8
58.00599	0.4
59.01380	11.2
60.68275	0.4
61.98565	0.4
61.98824	2.4
64.02191	0.4
64.74621	0.4
66.68694	0.4
69.03459	1.0
70.07716	1.3
71.01380	7.5
72.99302	0.6
73.02951	1.2
81.43675	0.4
83.01408	0.9
85.02942	2.3
87.00877	1.4
88.98811	1.0
89.02443	7.3
95.01399	0.4
96.96018	1.4
97.02950	1.3
97.06583	1.8
98.95608	0.6
99.00898	0.8
99.04478	0.5
101.02442	5.9
103.00374	0.5
108.82993	0.4
113.02452	2.3
116.68050	0.5
119.03518	1.8
125.02446	2.2
131.03546	0.6
143.03502	0.9
151.11290	11.3
161.04611	0.9
163.03981	0.5
169.12335	67.5
170.12703	1.7
179.05615	0.8
191.05634	0.5
195.10272	0.8
213.11322	14.4
221.06592	1.0
221.35382	0.4
235.08134	0.7
287.15143	0.5
311.29605	0.4
395.49277	0.5
397.13531	1.2
411.20071	0.8
415.14676	0.7
425.61588	0.5
495.22672	0.6
557.23993	0.5
611.25525	100.0
612.25787	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	611.234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.8
61.98830	5.3
69.03451	5.7
69.03747	0.5
69.28407	0.7
69.28806	3.7
71.01402	1.5
73.02967	2.5
78.95918	0.5
79.01918	1.5
79.85227	0.5
79.95754	1.6
80.96522	4.2
81.95341	0.7
82.96124	2.1
85.02953	1.2
85.39133	0.4
88.98810	0.5
94.98090	1.5
95.01414	2.2
96.96033	1.0
97.02946	56.6
98.03299	1.2
99.00879	0.9
101.02428	0.5
113.02464	0.5
122.97518	0.6
123.00880	5.7
125.02443	0.6
135.08170	0.8
137.09709	4.8
139.11298	6.1
141.01941	2.0
144.69429	0.5
155.10777	83.6
156.11134	2.1
157.08748	0.6
165.09232	0.6
165.12885	1.2
166.99925	0.6
173.38336	0.5
181.12347	4.8
183.10269	8.0
183.13858	2.5
185.00899	2.8
199.09746	100.0
200.10107	2.2
211.13206	0.6
215.09265	1.2
225.00763	1.0
225.11330	2.9
227.12852	3.9
243.12358	43.8
244.12717	1.1
255.02873	0.9
283.15182	0.5
323.11063	0.5
367.10266	3.1
381.10016	0.8
385.11349	1.4
401.10480	1.0
413.12250	3.5
490.34579	0.7
537.30115	0.8
567.24280	0.8
611.24438	19.5
612.24408	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	611.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
57.03446	1.9
59.01378	1.6
62.18160	0.7
69.03454	2.7
71.01369	2.2
71.30786	1.4
73.02950	1.4
81.03457	13.3
83.01384	14.4
85.02953	2.6
93.03458	2.7
95.01376	5.1
95.05035	7.8
97.02948	8.0
98.86404	0.7
99.04516	6.8
105.03443	0.9
107.05017	1.8
109.02970	4.4
111.00893	0.8
111.04544	4.7
112.17036	0.7
113.02473	4.1
117.03471	4.0
119.05022	1.7
121.02969	5.1
121.06563	2.0
123.00860	0.8
123.04521	30.3
125.02441	38.4
125.06002	1.9
135.04520	4.4
137.02440	12.4
137.06058	2.3
138.03140	0.8
139.03986	6.1
147.04477	1.7
149.02443	2.7
149.06087	1.0
151.04008	6.9
153.05629	4.4
155.03467	2.4
161.02383	1.7
163.04036	3.3
165.01918	2.3
165.05580	4.7
166.02747	1.0
167.03485	51.6
168.03850	1.7
175.04001	1.1
177.01964	1.6
177.05544	2.2
179.03477	13.6
181.05081	2.8
191.03441	3.5
193.04988	2.0
197.04544	18.1
205.04942	0.8
207.03117	0.9
209.04536	100.0
210.04866	3.9
221.04543	5.4
233.04567	1.6
235.02296	1.3
239.05594	81.1
240.05949	2.9
245.04579	0.8
251.05630	5.7
269.06638	31.3
270.07071	1.0
277.03421	2.4
281.06754	3.8
293.06708	1.2
300.21481	0.8
311.07712	6.6
315.07431	0.9
323.07770	1.7
329.08777	17.2
330.08945	1.7
341.08841	6.5
359.09924	4.9
371.07681	46.9
372.08093	3.4
383.07718	2.4
401.08713	38.4
402.08990	2.8
413.09424	1.0
431.09634	9.4
432.10071	1.2
449.12946	8.7
473.10922	6.7
491.11932	25.5
492.12292	2.0
503.12079	2.9
521.12701	4.8
580.66437	0.9
586.44373	0.8
592.75763	0.7
593.15228	2.6
611.16138	13.5
612.15973	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	611.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
58.33253	0.5
59.01100	1.0
59.01378	9.8
59.76519	0.5
60.99310	0.5
61.98826	3.9
63.02386	1.1
65.00321	2.6
69.03440	0.7
70.14587	1.0
70.14973	1.1
71.01386	8.5
72.99285	0.5
73.02941	2.4
75.00849	0.6
81.92399	0.5
83.01387	2.6
85.02509	0.5
85.02930	2.9
87.00880	2.2
88.98806	4.3
89.02452	5.5
95.01374	0.8
96.96017	3.3
97.02932	1.9
99.00874	2.6
101.02448	5.0
107.01391	5.9
111.00803	0.6
113.02432	1.9
119.03497	0.6
119.05015	2.5
123.04503	0.9
124.01672	2.1
125.02442	6.8
131.03496	5.1
137.02446	0.8
147.08142	3.9
149.02422	0.7
149.04510	1.0
151.00365	23.6
161.04575	1.0
163.03987	2.1
165.01910	1.2
167.03519	4.6
171.08804	0.8
171.10262	14.8
175.00302	1.1
179.05618	0.9
185.00912	0.6
185.06039	1.0
186.06783	1.8
189.11301	2.2
191.05542	2.9
196.05414	0.7
201.09210	6.1
207.84747	0.6
211.07730	2.7
211.09428	0.5
211.13335	1.6
212.13646	1.0
213.05743	0.7
227.07076	1.3
229.08711	5.2
239.07141	0.6
240.04187	0.8
253.08746	1.8
255.06616	6.1
259.11890	0.8
266.05795	1.0
277.08557	0.7
279.06647	2.7
283.02597	0.6
287.22238	1.1
291.06934	0.8
295.09830	1.8
301.18112	3.2
308.03152	1.8
309.04013	4.9
309.07333	1.0
310.04492	0.6
323.05756	0.9
334.08539	1.0
335.09140	0.9
336.06354	1.0
337.07294	3.7
338.07477	0.6
353.10349	0.7
362.08087	3.1
363.08701	12.8
364.09207	0.8
380.08862	2.6
381.09784	63.9
382.10123	3.5
397.13519	0.7
399.13846	0.8
400.36533	0.6
413.21664	2.0
421.20731	1.1
431.26465	0.8
449.27655	3.1
463.23199	0.6
525.14246	3.4
543.15051	100.0
544.15393	9.3
611.26086	23.0
612.26849	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	610.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25870	0.4
57.03445	0.8
59.01378	18.5
61.98829	19.1
62.98522	0.4
63.96225	0.5
63.99241	1.8
64.74301	0.4
69.87714	1.9
71.01367	2.1
74.12424	0.4
78.95904	22.0
78.98563	1.3
79.95743	2.7
80.96516	11.7
82.96092	0.4
85.02940	0.9
87.00851	0.5
94.98077	2.9
96.96002	0.6
96.96974	0.6
98.14680	0.3
98.19891	0.7
99.08154	1.7
101.02418	0.8
106.98100	0.6
111.08179	0.6
113.02443	0.6
113.09698	1.8
114.52070	0.4
122.97493	0.6
122.98503	0.8
123.08179	0.6
125.02375	0.5
127.07635	0.6
129.09221	4.0
134.97606	0.7
139.11302	0.8
143.92419	0.5
148.99091	1.2
151.11240	0.8
152.98543	1.1
152.99571	4.6
153.02612	0.4
164.98621	1.9
165.12814	0.4
168.04324	4.7
169.12332	1.5
171.10217	1.5
181.12318	2.8
183.13885	1.2
193.12274	1.5
197.11838	8.4
197.13577	0.9
199.13376	4.1
211.13374	11.2
212.13669	0.5
224.06912	8.5
225.00743	3.0
226.01039	0.8
242.07982	3.0
265.21674	0.5
275.20148	1.1
293.21219	9.9
299.04211	0.5
300.04852	0.5
311.22244	29.6
312.22595	1.6
325.23914	0.6
402.09503	0.4
410.96533	0.4
465.22406	3.1
536.29889	100.0
537.30219	7.8
550.31470	1.0
551.25732	0.7
610.26117	19.5
611.26880	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	610.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82029	0.1
61.98830	100.0
71.01389	0.3
78.95911	2.4
79.95743	0.2
80.96505	2.1
82.96093	0.4
85.02979	0.2
90.56228	0.2
94.98094	0.6
96.96016	0.2
96.96970	0.7
118.91789	0.1
125.02523	0.2
152.98560	0.2
152.99635	1.5
154.00002	0.2
154.37286	0.2
157.88013	0.2
164.98633	0.3
225.00865	0.3
235.17110	0.3
236.17432	0.2
241.01201	0.8
242.01718	0.2
275.20181	0.2
276.20621	0.4
293.21457	0.2
294.21704	0.6
324.07080	0.2
430.20822	0.3
488.39859	0.2
582.73950	0.2
610.26764	5.3
611.27631	2.2
611.37201	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10121	0.2
59.01364	0.2
61.98828	100.0
69.23923	1.7
71.01376	0.3
78.95901	4.8
79.95722	0.2
80.96516	1.2
82.96099	0.8
94.26825	0.2
96.95994	0.2
96.96967	0.8
96.97543	0.2
98.20697	0.4
101.02436	0.2
152.98409	0.3
152.99583	3.2
153.99905	0.4
164.98569	0.3
182.30344	0.2
190.35393	0.3
195.13928	0.3
196.14284	0.4
224.13731	0.3
225.00792	0.3
227.00143	0.2
241.01158	1.9
242.01530	0.5
246.81398	0.2
276.20435	0.2
285.16397	0.2
293.21207	0.9
294.21552	1.4
315.04739	0.4
316.05121	0.2
351.54050	0.2
430.20798	0.4
610.26819	10.7
611.27411	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	610.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10263	0.4
59.01379	14.4
61.98832	58.4
62.98542	0.9
63.99264	6.2
69.25915	4.4
71.01379	1.3
71.29158	0.4
78.95907	22.5
79.95737	1.0
80.96519	6.2
83.05032	0.5
92.37838	0.4
94.98098	1.1
97.02930	1.2
97.06580	0.7
101.02456	0.4
111.08174	0.6
113.09754	1.3
121.10240	1.0
122.97598	0.5
122.98499	1.1
125.09743	1.5
127.11330	0.5
134.98720	0.4
135.03046	0.5
139.11282	2.9
148.99098	0.7
152.98567	0.6
152.99615	3.8
163.11241	0.7
164.98660	1.0
165.12907	1.0
168.04298	3.7
168.11481	0.6
171.10278	11.7
172.10562	0.7
183.13936	0.7
185.11887	1.0
193.12296	3.6
197.11836	1.2
209.11797	1.2
211.13396	4.6
224.06909	8.0
225.00781	1.3
242.07983	1.5
249.22186	1.1
277.20065	0.5
293.21249	13.3
294.21545	0.8
311.22284	30.0
312.22537	1.7
428.61169	0.5
465.22403	1.3
536.29938	100.0
537.30212	6.4
577.93121	0.4
610.25464	2.2
611.27264	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.8
59.01374	1.2
61.98835	0.6
63.65813	0.6
89.44997	0.5
93.03421	0.8
98.20749	1.0
107.08801	0.6
109.50706	0.6
111.08151	0.7
113.09729	10.8
113.29762	0.6
121.06554	2.9
123.13186	0.6
139.11259	0.9
167.10812	0.8
171.10310	0.7
179.10796	1.3
195.13881	1.3
217.12039	0.9
247.09508	0.9
247.20634	2.1
249.11082	3.0
249.22163	1.4
265.62115	0.6
272.13907	2.6
279.11960	0.8
293.21237	49.4
294.21552	2.6
315.19400	100.0
316.19714	6.1
464.47220	0.6
497.17523	0.8
609.40350	4.0
610.40918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	0.4
62.64453	0.3
71.54799	0.3
71.55153	0.3
77.95304	0.3
78.29111	0.3
131.66997	0.3
165.77512	0.3
201.90269	0.3
243.02220	0.3
279.23273	100.0
280.23660	6.9
295.94489	0.3
329.37473	0.3
402.80664	0.3
435.25150	0.3
474.23090	0.3
488.24982	0.4
489.25439	1.4
521.28113	0.4
533.24438	1.1
609.26093	0.5
629.52814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
59.49858	0.5
69.75912	1.1
69.76321	1.6
95.05025	33.9
96.05357	0.6
111.08169	0.5
118.15637	0.5
150.03026	0.9
155.84886	0.4
179.14409	0.9
189.05293	1.1
195.13901	9.8
196.14433	0.9
205.12399	1.5
211.13416	0.6
223.13365	7.5
228.13512	0.6
246.12323	13.0
246.14743	0.9
256.13144	1.2
265.21786	0.9
275.20120	4.3
278.11334	65.4
279.11768	3.2
293.21222	100.0
294.21506	6.1
315.19388	32.5
315.23099	0.6
316.19745	1.6
572.31812	2.0
573.32013	0.6
609.41229	20.9
610.41290	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	609.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53125	1.1
55.01862	1.3
57.03436	2.9
58.00602	1.0
59.01379	76.9
61.98837	5.3
69.03449	2.2
69.30978	6.3
71.01385	28.8
71.05031	1.0
72.99304	2.7
73.02943	7.2
81.03454	0.9
83.01391	4.0
85.02957	11.9
87.00885	5.3
87.04501	2.0
89.02448	12.6
95.01386	3.8
96.96010	5.1
97.02917	1.9
99.00880	3.9
101.02446	18.7
111.00945	1.0
113.02453	13.6
119.03519	4.0
121.02953	1.7
125.02440	3.6
131.03523	1.3
135.04543	1.6
137.02386	0.9
138.03195	1.0
143.03522	1.0
149.04633	1.0
159.02902	1.4
161.04555	7.0
179.05623	2.7
183.13853	2.8
211.13385	36.2
212.13680	1.6
235.08168	2.6
241.47006	0.9
242.78445	0.9
253.09369	1.0
258.01563	1.2
260.92560	0.9
271.22913	2.7
273.04153	3.0
288.06442	4.4
289.07184	3.3
303.08719	7.5
304.09146	1.2
315.25394	2.7
324.07852	1.2
325.14438	1.0
331.11664	1.3
343.28439	2.1
355.38815	0.9
361.29535	4.3
375.14749	1.3
390.16934	1.3
397.13535	20.3
411.20224	1.7
415.14590	10.8
505.33810	100.0
506.34201	7.7
523.35040	13.3
545.73267	0.9
549.23389	15.4
550.23724	1.9
565.36102	5.8
567.24463	6.2
609.27417	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	609.2677
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
57.03432	2.6
59.01362	1.1
61.98826	6.9
67.96191	0.5
69.90063	2.6
78.95902	45.9
80.96560	0.6
96.96957	10.3
97.06606	0.9
98.56480	0.5
113.09729	12.9
127.01862	0.6
139.11284	1.5
152.99579	35.2
167.10759	1.4
179.10739	1.7
185.32990	0.6
195.13847	1.8
196.47939	0.6
223.00081	1.5
234.19202	0.5
241.01169	22.5
249.22166	1.6
259.02164	0.8
275.20041	0.7
293.21225	45.9
294.21518	2.3
315.04858	5.3
429.20490	4.8
609.26752	100.0
610.27094	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	609.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
57.03429	1.6
59.01379	60.2
61.98833	1.8
64.91330	1.0
69.19096	4.2
69.19520	5.6
71.01389	15.8
71.05045	1.1
72.82173	0.9
73.02937	4.6
75.20284	1.1
79.95713	1.8
83.01380	4.0
85.02957	10.0
86.00034	1.4
87.00860	2.6
87.04522	1.7
89.02435	4.3
95.01396	1.3
96.95960	1.3
97.02955	1.8
99.00874	2.3
101.02441	14.2
111.00890	1.3
113.02452	7.4
143.10794	1.2
159.03073	1.2
161.04515	1.7
183.14023	1.0
211.13374	6.4
224.48044	1.1
271.22839	2.5
315.25397	5.5
329.26801	2.4
343.28506	1.6
361.29501	4.3
387.48935	1.1
397.13470	3.1
486.64511	1.1
487.32959	1.3
505.33817	100.0
506.34158	7.9
523.34833	15.7
524.35480	1.2
565.35742	4.2
609.26764	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	609.2678
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
59.01366	0.7
61.98820	0.6
69.97724	1.6
71.01354	1.1
77.36140	0.5
78.95902	47.0
79.95737	1.0
80.96522	3.5
82.96095	2.9
91.25632	0.4
94.98087	0.9
96.96964	10.6
96.97596	1.0
110.98513	0.6
125.02531	0.6
141.09251	0.5
152.08488	0.4
152.99583	34.1
195.13919	7.6
196.14445	0.6
223.00070	1.1
223.13393	4.8
227.00272	0.6
241.01186	23.7
254.08847	0.5
259.02213	2.1
275.20081	2.5
293.21213	21.6
294.21564	1.0
309.17715	0.5
315.04871	5.2
354.02090	0.4
429.20453	5.1
508.96710	0.5
511.19455	0.9
609.26666	100.0
610.27051	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	609.258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56951	0.3
59.01365	0.8
61.98829	10.0
63.96236	1.1
67.66584	0.3
69.03450	0.7
71.01375	4.9
71.01720	0.6
73.02936	1.0
74.57040	0.3
76.37135	0.3
78.98588	4.3
79.95737	12.0
80.96513	53.4
81.03448	0.5
85.02934	2.2
87.00861	2.3
93.77587	0.4
94.98083	11.5
96.96004	0.7
97.02946	1.6
99.00862	0.6
101.02431	2.2
106.98076	2.6
122.97572	1.8
125.02393	1.7
127.04021	0.6
134.97572	3.7
136.99130	1.1
148.99150	4.2
150.73009	0.3
152.98611	4.3
164.98611	9.0
165.96440	0.4
165.98997	0.4
171.60442	0.3
206.99673	2.0
225.00728	13.4
241.00040	0.4
299.04446	2.5
365.35962	0.4
371.06622	0.4
532.74615	0.4
609.25812	100.0
610.26245	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.258
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81752	0.3
59.01380	0.7
61.98827	13.0
63.56374	0.3
63.96231	1.1
69.03453	0.7
69.19077	2.4
69.19491	0.8
70.15371	0.3
71.01376	5.4
73.02947	1.3
78.44717	0.4
78.98589	5.3
79.95732	9.2
80.96513	56.8
81.03462	1.0
85.02937	2.1
87.00877	2.2
94.98081	12.7
95.01405	0.3
96.96000	0.9
97.02950	1.6
98.19904	0.6
99.00862	0.5
101.02419	1.8
106.24406	0.3
106.98086	1.9
115.86469	0.3
122.97581	2.5
125.02412	2.8
127.04031	0.7
134.97588	4.3
136.99109	1.2
148.99124	4.7
152.98634	4.4
162.18411	0.3
164.98618	11.0
166.09155	0.3
167.00099	0.4
180.86755	0.3
188.98517	0.3
197.11813	0.9
198.52905	0.3
206.99664	2.3
216.75066	0.3
225.00723	15.0
231.49596	0.3
299.04462	3.3
536.29883	0.9
609.25818	100.0
610.26099	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	609.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31347	0.9
59.01379	10.7
61.98834	1.0
65.00331	1.5
66.55719	1.0
69.03447	1.3
69.48579	0.9
71.01372	6.2
71.55482	1.1
73.02946	3.0
74.36067	1.0
83.01385	1.4
85.02951	1.4
87.04509	1.9
89.02442	5.6
96.96009	6.5
97.68677	0.9
101.02442	4.6
102.76054	0.9
107.01386	1.5
108.02183	1.3
109.02994	1.4
113.02475	2.5
119.03476	1.6
133.06927	5.2
135.08130	1.4
137.09718	7.4
148.01669	1.7
151.00383	8.0
155.10776	80.6
155.47345	0.8
156.11076	2.6
161.04521	1.1
163.00328	2.3
164.01132	1.0
169.12297	1.7
170.07492	1.1
178.99869	4.5
181.08719	1.0
190.78613	1.0
199.09747	100.0
200.10078	2.1
203.08417	0.9
211.13374	3.8
213.11342	1.3
221.08470	6.1
226.02632	0.9
227.03424	1.9
241.10783	4.7
243.03021	6.7
245.04485	1.1
245.09183	1.6
254.02235	1.3
255.02960	20.3
256.03464	1.8
271.02457	38.6
272.02954	2.6
285.03931	2.8
299.02075	1.2
300.02719	69.0
301.03433	29.0
302.03845	2.0
361.15054	6.6
397.13510	1.7
398.13254	1.1
403.16046	17.7
447.09268	1.7
549.25891	1.2
565.28510	2.8
609.14569	79.5
610.14728	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	609.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03390	1.6
59.01311	20.3
61.98758	8.9
63.87961	0.7
63.96172	3.7
69.03387	6.8
70.49855	0.9
70.50191	1.8
71.01308	6.4
73.02872	2.8
78.98521	2.2
78.98938	0.7
79.01826	1.4
79.95739	25.5
80.96515	31.9
81.03384	1.4
83.01326	1.2
84.99487	0.8
85.02950	4.0
85.82113	0.7
87.00814	2.0
89.02386	1.3
94.98091	7.2
95.01314	2.4
96.95946	2.1
97.02949	65.4
98.03259	1.1
98.32384	0.7
98.95547	1.4
101.02380	3.4
106.98026	1.8
113.02367	1.6
120.99598	0.9
122.24933	0.8
122.97540	1.7
123.00808	3.2
125.02376	2.0
127.03910	0.9
129.41048	0.8
133.01401	1.1
134.97514	2.7
139.11293	20.5
141.01921	3.6
148.99141	4.3
152.98534	2.2
153.09189	3.7
155.10719	2.4
161.04503	1.6
163.11258	1.5
164.97523	0.7
164.98639	6.6
165.09203	1.6
167.00085	0.8
171.10216	1.0
181.12332	11.8
183.10257	23.2
183.13840	1.6
185.00853	2.3
197.08119	3.0
197.11787	1.2
199.09715	3.0
199.13419	7.1
206.99669	1.9
211.13354	1.6
225.00720	9.5
225.11313	9.0
241.00066	0.7
241.10559	1.2
243.12358	100.0
244.12820	3.4
291.19635	1.5
299.04532	2.5
315.41299	0.8
331.17621	0.7
371.06686	2.8
397.13498	0.9
411.13370	2.3
429.13983	5.3
505.34244	1.1
609.26160	76.7
610.26312	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	609.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31347	0.9
59.01379	10.7
61.98834	1.0
65.00331	1.5
66.55719	1.0
69.03447	1.3
69.48579	0.9
71.01372	6.2
71.55482	1.1
73.02946	3.0
74.36067	1.0
83.01385	1.4
85.02951	1.4
87.04509	1.9
89.02442	5.6
96.96009	6.5
97.68677	0.9
101.02442	4.6
102.76054	0.9
107.01386	1.5
108.02183	1.3
109.02994	1.4
113.02475	2.5
119.03476	1.6
133.06927	5.2
135.08130	1.4
137.09718	7.4
148.01669	1.7
151.00383	8.0
155.10776	80.6
155.47345	0.8
156.11076	2.6
161.04521	1.1
163.00328	2.3
164.01132	1.0
169.12297	1.7
170.07492	1.1
178.99869	4.5
181.08719	1.0
190.78613	1.0
199.09747	100.0
200.10078	2.1
203.08417	0.9
211.13374	3.8
213.11342	1.3
221.08470	6.1
226.02632	0.9
227.03424	1.9
241.10783	4.7
243.03021	6.7
245.04485	1.1
245.09183	1.6
254.02235	1.3
255.02960	20.3
256.03464	1.8
271.02457	38.6
272.02954	2.6
285.03931	2.8
299.02075	1.2
300.02719	69.0
301.03433	29.0
302.03845	2.0
361.15054	6.6
397.13510	1.7
398.13254	1.1
403.16046	17.7
447.09268	1.7
549.25891	1.2
565.28510	2.8
609.14569	79.5
610.14728	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	609.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57136	0.5
58.07487	0.6
59.01377	4.4
61.98820	0.6
63.02402	0.8
65.00324	1.7
66.68999	0.5
69.53964	3.6
71.01382	3.0
73.02944	2.0
83.01376	1.1
85.02932	0.9
87.00861	1.4
87.04485	0.6
89.02440	1.6
96.96014	4.6
101.02464	1.9
103.59747	0.6
107.01367	3.3
108.02180	1.2
109.02956	1.1
113.02444	1.5
119.03499	1.1
121.02969	1.8
125.02442	1.0
137.09721	2.3
146.65732	0.5
148.01688	1.2
151.00354	11.0
155.10768	23.4
156.10953	0.6
161.04492	0.8
163.00386	2.2
163.04041	0.8
165.01886	0.6
169.01447	0.7
178.99855	5.4
183.04482	0.8
199.09749	23.1
200.10043	1.2
211.03979	1.4
211.13409	2.2
215.03558	0.9
221.08510	0.8
226.02637	1.2
227.03519	2.6
229.05093	0.6
241.10791	1.0
243.02972	9.7
244.03540	0.7
245.04367	1.2
254.02208	1.6
255.02982	23.9
256.03326	0.9
271.02463	50.7
271.89374	0.6
272.02948	3.8
273.03995	0.7
277.01712	0.5
283.02444	1.1
284.03351	0.6
285.04010	2.3
299.01886	1.8
300.02731	88.3
301.03455	31.9
302.03976	1.3
322.46777	0.6
361.14960	1.0
397.13449	1.4
403.15979	4.2
447.09244	2.2
469.34189	0.6
491.19754	0.7
565.28503	3.7
609.14508	100.0
610.14740	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	609.1459
Annotation	Luteolin-3',7-di-O-glucoside
Peak:m/z	Relative Intensity
59.01373	1.2
59.04242	0.2
61.98819	0.2
63.02388	0.4
65.00327	0.3
68.17696	0.2
69.60078	1.0
73.02908	0.4
73.97630	0.2
83.01384	0.4
83.82661	0.2
85.02951	0.5
89.02426	0.6
96.95992	1.3
97.02917	0.2
99.00934	0.3
99.04443	0.2
101.02454	0.6
107.01379	0.6
119.09791	0.2
121.02968	0.3
131.07155	0.2
133.02945	2.6
134.03693	0.4
149.02435	0.8
149.04375	0.2
151.00356	2.5
155.10757	1.1
161.04483	0.2
163.04027	0.3
171.04405	0.2
175.04025	1.7
179.78186	0.2
197.06104	0.2
198.03264	0.2
199.03963	1.1
199.09738	1.1
200.04794	0.2
201.01897	0.2
211.03989	0.3
211.13345	0.6
212.04755	0.2
213.05656	0.2
217.05014	1.1
221.68204	0.2
227.03638	0.2
233.06578	0.2
238.43132	0.2
241.05067	0.6
241.10846	0.4
243.03035	0.3
255.02983	5.0
256.03763	1.7
257.04584	0.4
258.30713	0.2
267.02850	0.2
283.02509	1.9
284.03241	28.1
285.04010	100.0
286.04367	4.3
297.03979	0.4
300.02814	0.2
317.50745	0.2
327.04990	0.9
397.13388	0.2
403.16544	0.3
415.14911	0.2
446.08572	0.7
447.09271	89.3
448.03717	0.4
448.09631	4.9
493.20120	0.2
523.27454	0.3
549.29382	1.8
565.28253	0.9
609.14545	12.5
610.14722	0.9
627.60645	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.3
59.01385	2.9
61.98835	0.5
70.66868	0.6
71.01374	2.8
73.02945	0.4
83.01410	0.6
85.02947	0.6
89.02445	1.0
92.05104	0.4
96.95990	1.5
101.02436	1.5
105.03444	1.0
107.01389	1.0
109.02961	0.4
113.02446	0.7
115.00381	0.7
119.03506	0.5
119.04988	0.5
121.02904	0.6
123.04497	0.9
129.01913	0.3
133.02953	5.7
134.03697	0.6
135.04550	0.7
143.03574	0.4
147.02280	0.4
149.02472	0.8
151.00375	1.9
151.27023	0.4
153.05573	0.8
158.89122	0.3
161.04575	0.7
175.03992	1.2
177.01909	2.5
179.03461	1.1
179.05595	0.4
184.89107	0.3
184.99228	0.4
191.03484	0.3
199.03996	0.9
199.09637	0.6
207.13829	0.6
217.05002	0.7
227.03607	0.5
241.05037	0.4
255.02988	1.1
256.03766	1.9
257.04538	0.5
269.04422	0.4
281.40225	0.4
283.02408	0.6
284.03238	40.4
285.04016	91.1
286.04416	3.8
297.03940	0.5
299.05774	0.4
327.05130	2.1
331.04742	0.4
331.08136	1.8
331.11722	0.3
369.06342	0.4
371.36765	0.3
432.45459	0.4
447.09277	100.0
448.09628	5.9
493.13461	1.6
549.25403	3.9
609.14496	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	609.1455
Annotation	Lucenin 2
Peak:m/z	Relative Intensity
59.01367	1.3
69.26251	1.9
69.26672	2.1
71.01387	1.2
83.01362	0.6
85.02933	0.6
89.02425	1.0
94.42508	0.5
96.96005	2.7
98.20625	0.7
101.02464	0.5
109.02937	3.0
119.04995	0.5
121.02940	0.7
132.02147	0.6
133.02945	10.0
133.06552	0.8
134.03708	0.8
135.04523	2.5
145.06146	0.8
147.04498	0.7
149.02438	1.0
149.06036	1.0
151.03934	0.8
161.02438	1.2
161.06071	0.5
161.08260	0.6
163.03967	1.3
175.04060	2.6
177.01929	2.5
177.05518	0.8
179.03445	1.5
187.04031	0.5
189.05569	0.9
191.03487	1.1
192.06689	0.5
201.01906	1.2
201.05458	0.6
203.03453	2.2
205.01416	0.8
205.05055	1.0
213.05634	0.7
215.03433	0.7
217.05092	1.0
225.05701	0.5
226.06410	0.7
227.03423	0.7
232.82616	0.6
233.04501	0.9
239.07045	0.6
245.04474	0.6
252.04175	0.5
253.04976	1.2
254.05869	0.6
255.02885	0.8
255.06703	0.8
257.04639	0.7
267.06549	0.8
269.04529	0.6
281.04535	0.6
283.06088	1.2
284.03287	1.2
285.04138	2.2
285.07184	0.6
295.06207	0.9
297.04089	3.3
298.04773	8.5
299.05527	3.1
309.04111	1.4
310.04831	0.6
311.05585	7.8
312.06335	9.1
313.03781	0.5
313.07117	10.0
323.05566	1.9
325.07098	1.2
327.05078	6.5
331.08063	0.6
339.05048	11.6
340.05518	0.8
341.06705	5.9
342.06961	0.7
344.05209	1.5
351.05231	1.0
353.06677	3.7
357.06262	1.3
367.04797	1.2
369.06113	46.6
370.06451	2.0
371.07635	1.2
381.06140	5.6
383.07669	0.9
393.14960	0.5
397.05606	0.7
399.07169	32.7
400.07529	1.8
411.07208	4.6
413.08655	0.7
429.08228	6.0
435.07016	0.7
441.08078	1.9
447.09445	1.5
471.09192	1.6
489.10385	34.1
490.10690	1.7
501.10413	0.7
519.11383	9.7
519.19238	0.4
520.11536	0.6
524.75421	0.5
549.25458	1.5
591.13605	1.8
609.14551	100.0
610.14954	8.9
610.24866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.0
59.01378	20.6
61.98829	50.5
62.98513	0.6
63.99261	4.3
67.09120	0.5
69.03421	0.7
70.29908	1.9
71.01382	1.1
77.39154	0.5
78.95903	30.4
79.95736	1.0
80.96515	4.6
81.03482	1.4
83.01388	2.3
83.05000	2.6
91.75199	0.5
94.98066	1.0
96.96972	0.8
97.06586	1.4
113.09647	0.8
116.43875	0.6
122.98523	2.5
123.04510	0.9
123.08165	1.6
125.06085	0.8
125.09737	3.0
125.10489	0.6
127.11277	0.5
132.10437	0.5
139.11314	2.5
148.99170	0.5
149.09651	1.0
151.11308	3.5
152.99605	6.5
153.12862	0.7
163.11282	3.3
164.98619	0.7
165.12828	6.8
165.72908	0.5
167.10754	2.6
168.04326	5.8
171.10234	0.5
179.10764	0.8
179.36807	0.5
181.12347	4.9
191.10774	2.9
193.15994	2.1
209.11829	20.5
211.13287	0.9
214.31523	0.5
223.13419	2.0
224.06918	11.6
225.00775	0.7
241.01242	0.8
242.07945	3.6
247.20711	4.9
263.20129	1.0
265.21649	1.1
273.18570	1.3
281.21094	0.9
291.19666	17.6
292.19974	1.0
305.21307	0.8
309.20682	14.0
323.22232	3.1
399.12546	0.7
463.21268	1.1
489.22528	1.5
534.28357	100.0
535.28735	7.8
548.29950	10.6
549.31189	1.1
582.51886	0.5
585.43927	0.6
608.24561	1.1
609.26172	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	608.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.01785	0.6
57.03449	1.1
59.01379	25.4
61.98828	41.9
63.99234	1.6
67.01907	0.6
69.03452	1.1
70.45361	2.1
70.55528	0.5
71.01376	2.4
71.05009	0.6
73.02911	0.9
75.00895	1.2
76.08736	0.5
78.95901	43.3
78.98582	1.2
79.95730	2.1
80.02657	0.9
80.96516	9.6
81.03453	1.1
82.96103	0.7
83.01403	3.6
83.05011	2.3
85.02940	0.7
87.00867	0.6
94.98074	1.6
95.05047	1.0
96.95996	0.7
96.96964	2.5
97.02914	0.8
97.06593	2.1
101.02469	1.0
109.06574	0.7
113.02415	0.6
122.97632	0.8
122.98519	1.8
123.04469	2.1
123.08118	2.2
125.02460	0.7
125.06101	1.1
125.09700	4.9
127.11241	0.7
139.11263	4.4
141.09189	1.1
148.99193	1.0
151.11252	0.9
152.99599	13.1
162.10506	0.6
163.11292	4.7
164.98625	1.1
165.12837	7.7
167.10806	2.7
168.04318	6.1
171.10263	0.7
181.12326	1.8
182.99724	0.9
183.13878	1.5
191.10718	1.6
193.15929	3.0
195.13911	1.6
203.73907	0.5
207.10226	0.8
209.11827	18.3
210.12132	0.9
211.13354	1.6
212.44725	0.6
219.17639	0.9
223.00169	1.2
223.13374	2.0
224.06929	10.0
225.00674	2.7
227.12827	0.7
241.01167	2.9
242.07909	3.1
247.20616	6.9
273.18564	2.2
275.19925	0.8
279.27344	0.7
281.21161	0.9
291.19644	26.1
292.19977	2.4
293.21219	5.1
305.21204	1.0
309.20673	16.0
310.21152	0.9
315.04901	1.0
323.22287	5.2
445.20120	1.1
463.20871	1.5
489.22540	1.2
534.28320	100.0
535.28656	9.0
548.29950	15.9
549.30426	1.0
594.50134	0.6
608.24689	18.2
609.26532	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	608.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29701	0.2
61.98829	100.0
66.56512	0.2
71.00798	0.4
79.95714	0.2
80.96525	0.5
96.82047	0.2
102.61564	0.2
119.55536	0.2
129.17496	0.2
239.54028	0.2
239.79178	0.2
240.61183	0.2
274.40009	0.2
328.81458	0.2
427.24078	0.2
511.19400	0.2
608.24860	1.1
609.25281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
56.76900	0.3
57.03450	2.1
57.86729	0.3
59.01377	22.1
61.98826	76.3
62.05640	0.3
62.98534	1.2
62.99246	0.4
63.99261	6.2
69.03459	0.8
69.87363	0.3
70.50991	0.8
71.01373	1.8
71.05009	0.3
73.02916	0.5
78.95898	33.7
79.95737	1.3
80.02676	0.6
80.96504	5.5
81.03442	1.8
83.01398	2.8
83.05019	2.4
94.98080	1.2
95.05021	0.8
96.96059	0.4
96.96964	1.4
97.02990	0.4
97.06598	1.5
109.06618	0.4
111.08178	1.0
113.09724	1.3
122.97668	0.5
122.98549	2.2
123.04518	0.7
123.08177	1.4
125.02441	0.5
125.06135	0.3
125.09724	4.0
127.11222	0.3
134.97571	0.6
135.08189	1.0
139.11261	2.4
141.09229	0.3
142.83777	0.3
145.24658	0.4
148.99179	0.4
149.09674	0.8
151.11282	3.4
152.98389	0.5
152.99574	7.0
153.12927	0.5
162.10469	0.4
163.11285	3.6
164.98625	0.8
165.12834	8.0
165.14133	0.5
166.09891	0.4
167.10739	2.3
167.14491	0.4
168.04289	4.9
168.11490	0.6
171.10306	0.4
179.10751	1.0
179.14468	0.6
180.11420	0.6
181.12314	4.8
183.13844	0.4
191.10748	3.3
193.15974	1.9
197.11818	0.6
207.10320	0.5
209.11815	23.1
210.12158	0.8
211.13426	1.3
213.75052	0.3
219.17563	0.5
223.13361	3.7
223.15106	0.4
224.06920	12.4
224.13702	0.6
225.00710	1.4
225.11230	0.4
226.11993	0.4
229.19614	0.4
241.01157	1.3
242.07945	3.0
247.20668	5.1
248.20993	0.7
263.20111	0.9
265.21661	1.0
265.51624	0.4
273.18591	1.6
275.20273	0.4
281.21225	1.4
291.19647	18.7
292.20007	1.4
293.21146	0.7
299.04529	0.4
302.58508	0.4
305.21262	0.5
309.20688	14.0
310.20999	0.9
323.22223	3.5
425.61368	0.4
445.20044	0.4
463.21185	1.0
489.22687	0.9
516.16101	0.4
534.28314	100.0
535.28644	8.7
535.36267	0.6
548.29901	11.1
549.30731	0.7
608.24591	4.0
609.26031	11.7
633.71216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.3
59.01376	71.8
60.01694	1.4
62.90671	1.5
69.03450	1.5
69.18128	5.4
69.18552	8.8
71.01382	19.7
72.99318	1.8
73.02946	8.2
83.01376	5.9
85.02950	14.9
86.24295	1.5
87.00863	1.8
87.04531	1.4
88.92034	1.5
89.02430	3.9
92.10861	1.3
95.01386	2.4
97.06577	2.7
99.00870	2.8
101.02436	14.3
111.00829	1.3
113.02416	11.1
119.03442	2.0
125.02470	2.2
143.03467	2.6
143.10756	3.3
153.38554	1.4
159.02977	2.2
161.04515	4.9
179.05647	1.6
271.22668	2.3
273.96918	1.3
311.25864	3.0
313.27664	1.6
341.26938	1.5
359.27899	3.5
415.26953	3.3
433.28030	18.0
485.31146	3.0
503.32248	100.0
504.32721	6.5
521.33313	27.7
522.33740	4.3
563.34143	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	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01375	4.4
61.98832	41.5
63.96239	1.2
69.03442	0.8
69.18827	3.0
69.19251	2.7
71.01382	7.1
72.99284	0.5
73.02940	1.3
73.22013	0.6
74.27075	0.5
77.37038	0.5
77.74192	0.5
78.95902	1.2
78.98598	4.9
79.95740	10.4
80.96517	52.2
81.03455	1.0
82.57467	0.5
85.02939	3.1
87.00868	3.2
89.02425	1.1
94.98089	12.4
96.96021	0.8
97.02958	1.6
101.02430	3.5
106.32151	0.5
106.98055	2.0
109.06644	0.6
113.02428	1.5
122.97559	2.4
125.02441	3.5
125.09686	0.7
127.03955	0.8
134.97566	3.9
139.11295	1.2
143.03419	0.6
148.99123	4.4
152.98615	4.2
152.99640	0.8
161.04544	0.8
164.98640	8.5
165.12837	2.7
171.10286	3.8
183.13875	1.5
185.11830	0.7
193.12283	1.5
206.99661	1.8
209.11775	2.5
211.13354	2.0
225.00755	12.6
227.12914	4.1
235.92294	0.6
241.00732	0.5
253.09290	10.8
291.19800	1.2
293.21265	6.3
299.04379	2.3
309.20636	1.2
311.22266	32.4
312.22684	1.8
371.06577	0.7
389.02151	0.6
470.84302	0.6
534.28351	1.8
547.31323	1.4
566.08813	0.6
607.24390	100.0
608.24786	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	607.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77964	1.6
59.05741	1.3
61.46251	1.4
69.66088	1.5
71.55851	2.6
74.87290	1.4
92.71792	1.5
233.68929	1.6
302.10312	1.8
347.15512	1.5
389.17801	1.5
429.20840	1.8
430.21640	2.6
431.22336	17.8
432.22711	3.9
443.22464	2.6
445.24170	8.2
447.25443	3.9
459.18082	3.5
459.25494	5.2
460.22882	24.2
461.22552	3.1
471.21725	9.8
472.22504	25.8
473.22858	3.4
474.20496	10.0
475.20221	4.4
475.26086	16.6
476.25684	2.0
486.23730	2.0
487.25024	79.3
488.25293	6.7
502.19925	20.9
504.24768	2.6
513.22980	7.8
519.24109	6.7
519.27509	7.9
531.23944	100.0
532.24261	7.2
534.22534	4.0
545.25446	6.0
547.23853	4.3
548.24158	9.6
563.26587	21.3
564.26923	3.2
575.22516	3.5
607.25342	17.0
625.21838	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	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66843	1.2
57.03445	6.6
58.00584	1.8
59.01378	100.0
61.98830	46.7
69.03456	6.8
69.34293	5.5
69.34727	4.2
71.01380	48.8
71.05001	1.9
72.99294	3.1
73.02940	10.4
75.00867	3.0
82.95416	2.4
83.01382	4.6
83.05067	1.2
84.95167	1.0
85.02953	18.7
85.06577	1.5
87.00864	5.6
87.04527	1.4
89.02443	25.6
93.03427	1.3
95.01393	5.9
96.96005	5.2
97.02978	5.8
97.06596	4.0
98.95607	1.3
99.00874	5.0
100.38541	1.1
101.01791	1.8
101.02445	30.0
111.00905	2.6
111.08156	1.6
113.02457	22.4
115.00349	1.1
116.05063	1.2
119.03457	6.6
121.10217	1.3
125.02476	6.8
131.03496	2.6
135.04491	4.3
141.01834	1.6
143.03476	4.6
143.10779	1.8
151.00314	1.8
153.09152	1.8
159.02965	1.7
161.04544	11.6
161.53751	1.2
165.12817	6.7
179.05579	4.6
179.07114	1.8
181.12328	6.4
187.07547	1.1
191.10783	12.1
209.11819	81.9
210.12161	3.2
221.06735	1.4
235.08200	6.1
253.09351	2.0
284.03119	3.6
287.07907	1.4
298.27032	1.1
299.05450	5.7
338.02051	1.2
359.28091	2.4
381.09473	1.9
382.10199	2.7
397.13470	56.6
398.13739	2.6
415.14505	28.2
416.14859	1.2
433.28296	8.2
473.14490	1.8
485.31262	4.0
503.32260	83.2
504.32602	7.0
521.33295	24.5
522.33807	2.0
544.15350	15.0
545.15656	2.0
563.34662	9.0
607.25641	11.6
607.32904	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2431
Annotation	Tiliasine
Peak:m/z	Relative Intensity
59.01394	1.1
61.98534	0.8
61.98833	9.7
63.96218	0.7
67.23852	0.6
69.97726	0.9
69.98118	1.1
71.01383	7.4
71.05015	1.1
73.02942	1.7
78.95899	3.2
78.98595	5.5
79.95740	14.9
80.96519	68.0
81.03473	0.7
83.01381	0.6
85.02950	2.4
87.00870	2.3
92.48660	0.4
94.98093	12.9
96.96008	1.5
97.02961	1.7
101.02463	2.1
106.98099	2.9
120.99663	0.4
122.97607	3.4
125.02450	1.9
127.04035	0.5
134.97604	4.7
136.99123	1.5
148.99164	5.0
152.98621	3.8
152.99644	1.4
161.04529	0.6
164.98627	10.6
181.91245	0.5
206.99751	2.4
209.11749	0.5
223.13356	1.2
225.00746	13.1
258.49258	0.5
291.19638	0.7
299.04480	2.7
371.06439	0.9
607.24329	100.0
608.24799	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	607.2429
Annotation	Tiliasine
Peak:m/z	Relative Intensity
50.17396	0.4
59.01377	6.4
61.98825	7.3
63.96234	1.0
69.03456	0.7
70.75952	0.8
71.01005	0.5
71.01380	8.0
72.04532	0.3
73.02945	1.7
78.98591	5.1
79.95730	11.8
80.96514	59.0
81.03460	0.7
82.00879	0.3
82.63778	0.3
83.01366	0.6
85.02941	3.0
86.21895	0.3
87.00876	2.6
89.02447	0.7
94.98082	12.8
95.01350	0.7
96.95995	2.2
97.02936	2.4
99.00871	0.6
101.02444	3.0
106.98098	2.8
113.02426	0.7
116.97279	0.4
122.97568	2.5
125.02442	3.1
127.03980	0.9
133.01347	0.4
134.97568	3.6
136.99138	1.3
146.01711	0.3
148.99135	5.3
151.04053	0.3
152.97484	0.4
152.98634	5.1
152.99756	0.6
164.98624	10.8
166.53285	0.3
167.00197	0.4
171.10262	0.4
206.99721	2.1
209.11865	1.1
225.00732	17.0
226.00981	0.4
289.18082	1.4
299.04419	2.3
309.20828	0.5
358.26880	0.5
359.28021	4.0
397.13486	0.8
403.17511	0.6
426.43900	0.3
476.43567	0.4
487.32803	0.4
503.32462	0.6
521.33368	0.9
534.28461	1.3
563.34125	3.5
607.24243	100.0
608.24622	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	607.2434
Annotation	Tiliasine
Peak:m/z	Relative Intensity
57.03449	1.0
59.01377	5.8
61.98833	100.0
63.96250	0.7
63.99269	0.6
64.01432	0.5
69.03461	0.8
71.01389	8.6
71.56110	0.9
73.02957	1.4
78.95891	0.6
78.98589	3.9
79.95740	10.2
80.96521	39.4
81.03455	0.7
83.01413	1.2
85.02943	3.2
85.06651	0.6
87.00887	2.6
89.02457	2.5
91.04594	0.5
94.98101	9.2
95.01392	0.6
96.96027	1.2
97.02962	2.0
97.06538	0.6
99.00883	0.8
99.81087	0.6
100.56200	0.5
101.02450	2.7
101.57545	0.5
106.98108	1.6
107.61009	0.5
111.08189	1.0
113.02458	0.9
119.03452	1.0
122.97591	2.1
125.02457	3.3
125.09702	0.7
127.31671	0.5
129.41586	0.5
134.97581	3.1
136.99168	0.7
139.11320	0.9
148.99152	3.4
150.07886	0.7
152.98640	4.1
161.04539	0.9
161.73227	0.5
163.11366	1.0
164.98627	7.6
165.12857	4.6
171.10292	2.2
183.13911	4.7
193.12347	1.1
206.99658	1.7
209.11848	7.3
211.13417	1.7
223.64749	0.6
225.00743	9.4
227.12898	10.8
228.13098	0.8
247.44096	0.7
253.09262	3.7
293.21075	1.8
299.04358	2.3
309.20779	0.7
311.22269	12.0
397.13644	1.0
543.69781	0.6
607.24634	89.9
608.25134	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	606.3858
Annotation	Roseocardin
Peak:m/z	Relative Intensity
59.01379	9.9
61.98829	0.6
71.01378	6.4
71.55289	0.5
72.00912	0.5
72.99306	0.9
73.02912	0.6
81.03481	0.6
83.05028	2.8
83.47625	0.5
85.02946	1.0
85.06583	0.8
88.04033	1.1
89.02454	3.4
95.01395	0.6
95.05038	0.6
95.29962	0.5
98.02467	0.8
101.02438	3.0
111.04546	0.9
111.08161	1.1
113.02452	1.7
113.06085	1.1
119.03465	1.5
126.09285	0.6
128.10789	0.7
129.05559	3.8
136.07707	0.6
142.08766	0.6
150.55096	0.4
154.08774	2.5
155.07112	2.1
156.10268	0.5
157.08688	3.8
172.09743	2.4
173.08066	0.5
190.10915	0.6
200.09239	1.4
225.20107	0.8
225.22224	7.6
253.21663	1.4
270.24500	2.3
271.22742	1.3
296.25943	1.0
306.24243	1.3
312.25311	0.6
324.25372	2.0
364.32193	1.5
382.33160	0.8
396.31201	0.8
408.31223	1.5
426.32233	10.2
427.32404	1.2
444.33420	2.8
606.38556	100.0
607.38824	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	607.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42799	2.4
58.00588	2.9
59.01378	67.8
61.98820	6.0
65.90214	2.2
69.03442	4.1
69.62959	13.8
71.01377	26.6
72.99295	2.8
73.02961	12.3
83.01395	3.7
85.02966	15.1
85.03693	2.3
87.00880	4.2
89.02425	4.8
96.95989	13.5
99.00883	3.8
99.08127	3.3
101.02423	14.9
105.28654	2.2
113.02427	8.7
115.12202	2.9
121.02902	6.3
134.03714	2.8
145.08702	6.6
152.07455	2.9
161.04617	2.5
191.47821	2.3
197.41298	2.6
269.08136	6.4
270.09021	3.9
281.08182	16.6
281.11124	2.4
282.08890	3.8
283.09766	5.5
283.15390	3.1
287.78055	2.5
295.09784	3.8
299.05630	3.8
311.09283	2.9
314.11575	10.3
315.12140	3.5
326.11520	9.4
327.12338	6.0
329.13867	20.8
341.13901	7.6
343.11627	4.4
351.20847	2.4
355.11435	3.5
356.12546	2.9
369.13501	3.4
455.13596	3.3
458.15842	10.1
463.56555	2.8
470.15799	3.1
473.18301	38.6
474.18073	4.5
476.16605	12.0
485.18188	39.4
488.16583	10.0
491.19189	36.0
492.19525	4.1
503.19180	38.0
503.32220	17.2
521.33032	4.2
530.18927	3.2
533.20245	100.0
534.20874	8.8
545.20270	55.2
546.20410	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	606.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.5
59.01076	0.7
59.01377	22.1
61.98829	31.2
69.03449	1.4
69.29038	3.9
69.29450	2.0
71.01375	4.1
78.95903	32.3
78.98586	1.1
79.95739	2.0
80.02674	0.9
80.96519	10.7
81.03451	1.6
83.01372	3.0
83.05006	2.4
85.02984	0.7
93.03439	0.7
94.98091	3.7
95.04998	1.0
96.96016	0.7
96.96952	0.9
97.02932	2.2
97.06573	2.6
101.02431	1.3
109.06590	0.9
113.02445	1.1
119.08641	0.8
122.97671	0.7
122.98516	2.7
123.04488	2.1
123.08157	1.9
125.02406	1.0
125.09729	5.1
134.97562	1.2
135.08116	1.1
137.09695	2.9
141.12762	1.4
148.99132	1.2
152.98503	1.0
152.99634	5.2
159.19611	0.7
163.07668	0.7
163.11275	5.2
164.98593	1.7
165.09193	1.0
165.12788	1.8
168.04323	5.7
171.10248	1.0
181.12320	1.7
182.95448	0.6
185.11813	4.5
191.10847	1.3
191.14438	3.6
206.99590	0.8
207.10233	4.4
209.11804	12.1
211.13400	1.3
217.15845	0.8
224.06909	9.9
225.00804	3.4
225.11281	2.4
227.12842	1.2
242.07950	2.9
245.19054	7.3
253.09296	1.7
271.17169	1.0
279.19482	0.7
289.18079	14.1
290.18463	0.7
307.19138	11.9
309.20850	1.0
310.20917	1.6
311.22186	2.5
321.20685	3.7
397.13696	0.9
461.19562	1.4
464.25546	0.7
532.26776	100.0
533.27032	6.8
546.28320	10.0
607.24292	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18974	0.1
59.01379	0.4
61.98830	100.0
69.27171	0.4
69.27588	0.8
71.01381	0.4
73.02934	0.1
79.95731	0.3
80.96510	1.0
92.72097	0.1
94.98045	0.2
101.02445	0.2
121.79777	0.1
134.97610	0.2
148.20018	0.1
159.45718	0.1
161.19131	0.1
163.11363	0.1
164.98596	0.2
193.12431	0.1
209.11771	0.3
225.00758	0.4
253.09447	0.4
311.22382	0.5
312.31821	0.1
464.63181	0.2
495.67618	0.1
521.90448	0.1
532.27094	0.4
556.36310	0.2
607.24445	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	606.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
61.98829	100.0
69.03458	0.2
71.01382	1.1
71.81507	0.2
73.02930	0.2
78.98602	0.7
79.95736	1.5
80.96511	6.8
83.76714	0.1
85.02987	0.3
85.85030	0.2
87.00899	0.3
89.02441	0.2
94.98087	1.7
97.02950	0.3
101.02443	0.7
106.98107	0.4
113.02496	0.2
122.97561	0.2
125.02441	0.3
134.97586	0.6
148.99161	0.6
152.98653	0.6
164.98599	1.1
171.10336	0.3
181.92236	0.2
206.99709	0.2
209.11880	0.2
211.13475	0.2
225.00735	1.7
229.62459	0.2
253.09363	1.1
266.99716	0.2
267.54373	0.2
291.19226	0.2
293.21219	0.4
299.04565	0.2
311.22296	3.0
314.02176	0.2
365.53198	0.2
579.36060	0.2
607.24298	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	606.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36476	0.3
59.01373	0.6
61.98829	100.0
66.69857	0.3
71.01395	0.8
78.95898	0.3
83.98980	0.3
88.36964	0.2
91.81325	0.3
96.96043	0.4
115.82919	0.3
135.04562	0.4
139.22495	0.3
209.11720	0.5
211.13304	0.4
214.19279	0.2
272.00613	0.3
290.00604	0.4
309.20688	0.3
377.18179	0.3
382.02075	0.3
486.81540	0.3
509.47821	0.3
606.24609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70167	0.1
54.05428	0.1
59.01369	0.1
59.48059	0.1
61.98829	100.0
79.74301	0.1
89.01662	0.1
98.20642	0.3
188.19997	0.1
198.74655	0.1
223.13391	0.2
289.71191	0.1
290.18253	0.2
308.19421	0.2
405.79419	0.1
408.90717	0.1
497.53098	0.1
509.05222	0.1
607.23926	0.2
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
59.01376	0.4
61.98828	100.0
62.98538	0.1
70.51320	0.3
71.01403	0.1
80.96492	0.1
90.96445	0.1
93.07343	0.1
96.96018	0.3
101.02478	0.1
114.06581	0.1
154.21303	0.1
193.39647	0.1
207.69769	0.1
289.18216	0.1
291.19019	0.2
292.19427	0.1
459.14752	0.1
562.33362	0.3
607.25488	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	606.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85344	0.1
53.63050	0.1
59.01379	1.3
61.98829	100.0
65.68351	0.1
69.49194	0.7
71.01382	0.5
73.02937	0.2
76.78131	0.1
79.95722	0.2
80.94765	0.1
80.96514	0.3
85.02950	0.2
90.02861	0.1
97.26335	0.1
99.78507	0.1
101.02451	0.3
116.95127	0.2
132.19331	0.1
194.35779	0.1
200.47726	0.1
213.87169	0.2
277.48624	0.1
290.18506	0.2
357.26517	0.4
358.26926	0.4
359.28168	0.4
385.74857	0.2
521.33630	0.5
561.33081	0.2
562.33258	0.9
563.34204	2.3
606.23383	0.3
607.24457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74523	0.2
59.01373	1.6
61.98828	100.0
63.99261	0.4
69.03445	0.3
70.86747	0.7
71.01382	1.7
74.61808	0.2
78.98596	0.3
79.95751	0.8
80.96514	3.5
85.02958	0.6
87.00906	0.4
89.02446	0.6
94.98089	0.7
101.02451	0.9
111.08168	0.7
113.02489	0.4
114.93293	0.2
122.97582	0.3
125.02482	0.4
134.97665	0.4
136.71249	0.2
142.71492	0.2
148.99113	0.4
152.98608	0.3
161.04549	0.2
164.98657	0.6
165.12894	1.8
183.13910	1.5
197.11826	0.5
198.12148	0.6
206.99817	0.2
207.10309	0.3
209.11771	1.9
211.13324	0.3
225.00870	0.8
227.12883	4.4
235.08284	0.5
253.09303	1.3
254.09784	0.4
263.19965	0.3
291.19562	0.3
301.16873	0.3
308.19763	0.3
309.20779	1.0
310.21042	1.5
311.22357	0.8
397.13763	0.5
498.42908	0.2
607.25281	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	606.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.1
60.01723	0.3
61.98830	100.0
68.18449	0.3
69.03452	0.5
69.31537	1.8
71.01382	1.4
72.99323	0.3
73.02951	0.5
79.95757	0.5
80.96519	0.8
83.01398	0.4
85.02950	0.5
89.02452	0.6
96.82425	0.2
96.95990	1.3
97.02950	0.4
99.00879	0.2
101.02467	0.9
113.02444	0.3
115.00440	0.3
135.98282	0.2
149.14081	0.3
183.46033	0.3
185.00893	0.4
207.10362	0.3
211.13452	0.2
253.09372	0.3
255.02956	4.8
256.03470	0.8
278.62485	0.3
283.02481	4.9
284.03156	1.0
285.03815	0.4
313.03641	0.6
327.25653	0.3
357.26514	1.0
358.26782	0.8
383.10831	0.3
384.11078	0.3
446.08542	7.9
447.09103	0.7
448.09158	0.4
449.09628	0.3
543.15247	0.8
561.32678	3.1
562.33075	3.5
563.34814	0.3
606.23145	0.6
607.23944	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	605.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47492	1.9
59.01375	2.4
61.98820	5.1
71.55476	3.1
74.60963	2.5
84.91072	1.8
91.98466	2.1
92.07594	2.1
102.97816	2.0
125.09659	2.7
171.10205	3.9
178.61816	2.4
235.17032	6.5
275.20270	10.1
276.20355	2.5
293.21146	21.8
309.20456	3.8
311.22272	100.0
312.22760	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	605.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
61.98837	0.4
71.01379	0.9
71.55634	0.3
71.56071	0.4
72.99318	1.8
75.00875	100.0
76.01218	0.4
85.02988	0.3
89.02449	0.4
101.02464	0.5
105.43103	0.3
109.06593	0.6
113.02476	0.3
115.00400	0.4
135.04495	0.9
153.05550	0.3
158.93529	0.2
178.02789	0.3
207.10219	0.8
209.11839	0.6
235.08391	0.2
237.14989	0.5
253.09366	1.7
291.19632	1.4
293.21225	3.0
299.51978	0.3
309.20660	2.8
397.13535	0.5
415.14661	0.5
605.23621	0.8
625.43097	0.3
634.15015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81634	0.3
59.01368	0.5
61.98801	0.5
69.78737	2.2
71.01376	0.4
93.03463	5.4
95.05042	0.6
109.06512	0.4
125.06052	0.5
148.08929	1.6
150.10483	1.3
151.11250	1.1
163.11243	1.4
165.12834	28.7
166.13161	0.5
175.11203	0.8
176.12079	0.8
177.12790	0.6
191.14409	1.4
217.15932	0.8
244.10774	6.9
247.20647	15.7
248.20987	0.6
273.18594	7.4
274.18912	0.7
291.19644	100.0
292.20001	5.0
313.17822	24.6
314.18228	1.1
427.51212	0.4
465.96744	0.4
605.38226	46.0
606.38562	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.8
69.03499	1.3
69.27068	10.5
69.27477	2.4
71.01388	8.1
78.45206	1.2
84.18698	1.2
85.02980	3.0
87.00919	1.3
89.02446	6.9
94.54174	1.2
97.02962	5.2
98.19872	2.5
101.02452	7.0
105.87910	1.4
111.08160	6.8
113.02457	3.6
119.03467	1.3
120.60242	1.5
137.09715	1.6
161.04539	2.8
165.12886	2.1
169.12395	2.4
171.10236	4.6
179.05658	1.7
197.11816	34.1
198.12209	1.5
199.13411	2.0
211.13326	6.6
223.13206	1.4
247.20695	2.2
253.06660	2.4
253.09291	38.8
263.20221	2.6
291.19647	26.4
292.19955	1.5
309.20703	100.0
310.21078	3.7
418.03812	1.4
545.29523	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	605.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.8
61.98840	1.9
71.01384	1.3
72.99318	1.3
75.00874	100.0
75.13956	0.3
76.01198	0.4
80.96498	0.5
82.10152	0.4
96.96001	0.3
98.19918	1.2
101.02432	0.6
109.06571	0.5
115.00362	0.8
130.91508	0.4
135.04527	1.1
139.59175	0.4
163.11385	0.5
171.10233	0.4
209.11751	0.7
226.26286	0.5
253.09270	2.5
291.19629	2.2
293.21292	2.3
309.20660	3.3
310.20844	0.4
312.32925	0.3
397.13470	0.5
433.64243	0.4
605.30475	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.3
57.03446	2.8
59.01379	86.9
61.98831	7.6
71.01378	37.7
72.99321	1.4
73.02948	9.8
76.11270	1.1
79.95737	3.7
80.96510	9.3
83.01391	5.4
83.41010	1.1
85.02949	17.1
86.00062	1.0
87.00871	1.2
89.02429	10.4
94.98074	2.6
95.01405	2.9
96.96008	16.9
97.02940	1.2
98.95596	2.4
99.00861	3.0
101.02438	19.5
113.02444	13.4
119.03522	2.1
125.02464	2.5
143.03482	1.8
152.98575	1.4
161.04523	5.4
164.98642	1.5
171.10211	1.5
195.52386	1.0
207.10155	1.3
225.00780	2.4
253.09209	3.8
291.19632	2.5
309.20755	9.8
313.27481	1.5
383.11322	1.3
457.31833	3.5
475.32645	15.3
476.32803	1.6
501.30692	3.9
519.31757	11.5
561.32739	100.0
562.33203	10.3
605.22644	15.8
605.32019	2.6
605.76160	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	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
59.01105	1.8
59.01380	24.8
61.20544	0.9
61.98834	6.6
71.01374	10.0
71.55857	1.3
73.02949	1.6
75.00864	3.4
78.95904	2.7
80.96532	1.1
83.01375	3.8
83.05025	2.5
85.02945	1.8
85.65977	0.9
87.00898	1.6
88.98806	2.2
89.02409	5.2
96.95998	1.1
97.06618	1.5
98.03747	1.2
99.08160	1.3
101.02441	7.1
113.02419	3.8
115.00340	1.9
119.03498	2.4
123.04577	1.2
123.08152	1.7
125.09716	3.2
133.02946	2.3
133.80327	1.0
134.03717	2.2
135.04546	5.3
139.11285	3.1
143.03487	1.1
151.11269	1.7
161.04546	3.0
163.11276	3.5
165.12845	8.7
167.10754	2.0
178.02681	1.1
181.12279	2.9
191.10765	1.9
193.15968	3.0
209.11833	30.7
209.70833	1.0
210.12123	1.3
247.20650	9.9
253.09290	31.3
265.21722	5.8
273.18478	2.7
283.22687	1.5
291.19666	58.3
292.20038	2.8
309.20706	100.0
310.21149	5.2
423.97787	1.0
445.20551	2.4
445.26004	1.3
447.13507	2.5
489.24649	2.6
545.29346	5.5
605.32635	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	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52091	2.1
59.01387	16.2
59.03510	2.1
69.27193	2.5
69.27731	18.4
71.01386	6.5
89.02462	6.2
101.02452	9.3
111.08179	10.6
113.02484	4.7
149.28368	1.9
161.04604	5.4
169.12384	4.3
190.23361	2.0
195.72585	1.9
197.11832	62.8
199.13374	5.4
211.13391	10.3
211.18015	2.2
214.54840	2.1
235.08157	3.2
253.09271	43.2
263.20096	4.5
267.02081	2.2
291.19659	29.1
293.26367	2.1
309.20724	100.0
310.20947	4.1
527.08746	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	605.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20692	0.6
50.63031	0.7
56.18542	0.7
59.01376	30.1
71.01373	1.9
76.26134	0.7
79.95729	0.7
85.06590	10.1
88.01302	0.6
96.96008	9.7
98.19759	1.4
113.06086	10.9
115.00370	2.4
122.46843	0.6
128.29356	0.6
131.07137	100.0
132.07437	2.3
133.01457	5.4
134.03743	2.4
135.04555	1.6
161.02446	0.7
171.10258	1.3
173.08176	50.8
174.08577	1.4
179.03479	1.3
193.05038	3.9
217.00168	1.1
359.69882	0.7
397.13196	1.5
405.24750	0.9
455.00519	0.6
470.24246	0.7
605.22699	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	603.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11158	3.2
58.17701	3.3
69.70068	20.7
100.04771	3.1
114.55363	3.3
125.09656	5.6
158.99808	3.6
165.12831	5.2
195.13838	8.3
209.11761	17.9
235.37807	3.5
247.20677	4.1
291.19757	19.2
293.21243	100.0
294.21506	3.9
309.20685	34.0
424.92609	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	603.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79543	4.2
51.97796	4.4
71.10039	9.1
75.45123	4.2
83.05010	5.5
90.81969	4.9
96.95984	5.6
109.25587	4.8
137.09743	10.4
155.10745	8.0
171.10245	12.3
195.13936	6.0
223.13223	7.3
264.15353	5.2
289.18848	4.2
291.19839	11.1
293.21210	100.0
306.39603	4.4
309.20593	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.3
59.01381	47.9
59.46021	0.8
61.93073	0.8
61.98837	4.6
69.03453	4.3
71.01386	10.4
71.55631	1.6
73.02936	2.8
73.34756	0.9
83.01395	2.0
85.02962	4.4
89.02451	3.2
95.01393	1.4
96.96003	7.6
97.02953	2.6
99.00873	1.8
101.02438	6.0
108.02152	1.1
109.02951	1.2
109.38249	0.8
111.00915	2.1
113.02454	5.5
113.03139	1.0
115.00386	0.9
116.92860	1.4
119.03510	2.1
123.00881	3.5
124.01633	3.2
125.02435	3.2
133.01479	1.2
134.03751	2.5
135.04530	1.0
136.01657	24.5
137.02458	1.2
142.82744	1.0
143.09100	0.9
151.04007	38.4
159.04510	2.2
160.05304	4.9
161.02463	1.3
161.04573	1.6
169.74971	0.8
171.10292	1.2
173.06087	3.2
174.06842	8.7
175.07538	2.0
183.10243	1.2
185.00841	2.7
188.04800	2.1
189.05510	3.8
189.09196	4.2
193.05093	5.5
207.10223	0.9
225.11301	2.4
243.12274	1.9
253.09299	1.2
268.07581	0.9
275.07358	0.9
278.05994	0.8
293.08203	4.4
307.09598	1.1
308.10611	4.7
309.20679	3.1
323.13013	4.2
326.11630	1.2
341.13919	100.0
342.14236	7.5
401.25204	1.1
429.13965	3.9
501.30701	3.1
529.90918	0.9
542.70496	1.0
545.29553	8.0
561.32312	2.3
563.30829	6.3
565.42389	0.9
605.22601	1.3
605.34625	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	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22232	0.5
59.01385	3.2
60.99309	12.8
61.98839	0.7
66.52771	0.5
70.83361	1.5
76.96329	0.6
76.97809	0.4
78.95892	1.6
84.02079	0.5
87.00877	5.3
88.00411	9.0
88.01224	0.6
88.04046	1.3
88.53568	0.6
88.98813	86.9
89.02448	100.0
90.02765	0.8
123.16034	0.5
148.90988	1.2
150.05495	0.6
152.99593	0.8
171.10251	0.8
277.21829	0.7
603.20740	1.2
603.33148	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.6
59.01382	40.1
61.98827	6.1
63.42903	2.6
69.22491	14.8
69.22919	8.0
71.01379	25.9
73.02937	3.0
75.00890	4.3
78.13099	2.4
89.02454	6.1
95.05058	4.5
97.06586	12.8
101.02435	8.6
102.44286	2.7
105.03461	4.9
109.02916	3.0
109.06590	3.9
111.08163	5.1
113.02460	5.9
115.00380	11.0
125.09747	3.6
133.01418	10.4
133.02950	40.0
134.03781	17.6
135.04532	40.7
137.02440	12.0
150.03188	2.4
151.11278	11.0
155.10828	5.1
161.04521	4.3
163.11314	3.9
165.12848	17.0
167.10776	4.5
169.12393	3.2
177.01950	20.8
178.02753	22.3
179.03485	22.2
179.10728	6.0
181.12352	12.0
183.10300	4.4
191.10828	7.7
191.14372	2.9
195.10078	3.3
205.12445	3.0
209.11853	50.1
211.13420	6.3
227.12860	10.6
245.18999	12.8
253.09299	29.1
263.20178	20.6
279.19470	2.6
289.18155	24.3
291.19641	6.5
294.03888	3.5
307.19156	100.0
308.19580	6.1
309.20709	33.7
386.74490	2.3
425.23032	4.3
443.24387	35.9
444.24866	5.5
445.20856	25.3
460.19354	3.6
487.23392	27.8
543.28021	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
55.86787	0.6
57.03441	1.8
58.00579	0.7
59.01380	31.5
69.03434	1.2
69.18864	1.2
69.19277	4.6
71.01377	8.9
73.02937	1.4
80.02666	0.5
81.03449	2.8
83.01384	4.0
83.05013	1.8
85.02943	1.9
87.00859	1.4
89.02439	8.0
95.01395	0.6
95.05028	2.0
96.95959	1.1
97.02942	1.9
97.06586	5.4
98.20614	1.1
101.02438	9.3
109.02940	0.6
109.06586	0.9
113.02457	4.8
119.03468	2.5
119.08671	0.6
121.06592	2.0
123.04502	2.9
123.08102	1.2
125.06044	1.0
125.09721	6.2
135.08141	1.2
137.06114	1.1
137.09711	3.7
141.12837	0.8
143.03445	1.1
149.09679	0.7
151.11285	0.6
161.04477	3.6
163.07593	0.9
163.11293	8.4
165.12830	1.7
168.45515	0.6
171.10260	1.4
175.11176	0.9
177.12767	1.1
179.05582	1.3
181.12340	1.4
185.11826	8.7
189.12901	0.7
190.09875	0.6
191.10762	1.7
191.14407	10.6
191.16107	0.7
193.12241	0.9
202.13721	0.6
207.10252	3.6
207.14125	0.7
209.11818	22.2
210.12300	0.7
211.13353	1.6
217.15964	1.6
225.11253	4.3
235.08177	1.1
237.11340	4.6
243.17363	0.7
245.19086	20.9
246.19327	0.9
247.17027	0.6
253.09280	41.2
254.09697	1.2
263.20160	4.6
271.17114	3.2
289.18091	100.0
290.18454	6.4
307.19144	99.0
308.19455	6.2
371.02072	0.5
445.20789	1.4
525.26819	1.1
543.27893	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	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49825	2.0
59.01379	28.8
67.72128	1.8
70.65536	4.2
70.65895	2.3
71.01375	7.2
80.62891	1.8
81.03433	2.8
83.01393	3.7
89.02408	4.6
97.02939	3.1
101.02439	10.2
113.02425	2.8
119.21781	1.9
123.04496	2.5
125.09698	3.9
137.09740	2.6
161.04543	1.9
163.11258	8.2
179.05531	2.3
185.11783	7.1
191.14395	7.3
191.31519	1.9
207.10229	3.7
209.11829	18.9
225.11261	4.5
225.28757	2.1
237.11275	3.8
245.19084	18.5
253.09305	37.1
263.19885	2.3
271.17050	2.7
289.18088	100.0
290.18335	3.1
300.88345	2.0
307.19150	79.5
308.19409	4.5
543.27417	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	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03477	2.1
57.73304	1.3
59.01379	35.9
59.60912	1.6
61.98831	44.9
70.44873	4.1
71.01394	9.0
79.17863	1.5
79.94613	1.5
81.03425	2.1
83.01411	3.6
83.05032	2.1
83.98912	1.8
85.02944	1.8
87.00874	2.1
89.02448	10.1
96.96024	4.3
97.02948	3.1
97.06606	4.0
101.02459	9.0
109.06567	2.0
113.02464	3.9
119.03479	2.3
121.06660	1.6
123.04532	4.3
123.08206	2.1
125.09713	5.9
137.09686	4.4
147.53476	1.5
161.04584	2.0
163.11278	8.3
171.10298	3.0
185.11781	6.4
189.12866	1.5
191.14380	7.9
207.10190	1.9
208.44621	1.5
209.11798	16.1
211.13397	2.0
225.11270	5.0
245.19090	20.0
253.09293	39.6
267.34052	1.7
271.16940	2.4
289.18091	100.0
290.18427	3.7
305.17758	1.9
307.19138	87.1
308.19537	2.7
326.73380	1.7
374.58432	1.6
523.51465	1.5
543.27875	2.3
603.30249	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	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.4
57.03449	2.0
59.01377	38.9
60.45552	0.8
65.75982	0.8
69.03444	0.9
69.22266	2.8
69.22687	5.3
69.24129	0.9
71.01379	12.3
71.05032	0.9
72.99242	0.9
73.02937	1.4
75.00880	1.6
81.03463	2.2
83.01378	3.2
83.05018	1.9
85.02941	3.0
87.00894	2.5
89.02451	8.4
95.01405	1.1
95.05011	1.3
96.96004	1.8
97.02944	3.0
97.06583	4.6
98.20701	2.0
101.02431	10.2
102.99217	0.8
113.02445	6.3
115.00356	0.9
119.03475	2.3
121.06584	1.7
123.04534	2.4
123.08148	1.6
125.09721	6.7
133.01526	1.1
135.04527	2.2
135.08124	1.1
137.09700	3.2
143.03320	1.0
149.06081	0.9
161.04552	4.7
162.10504	1.1
163.11270	7.0
165.12791	1.2
171.10239	0.9
177.12845	1.7
179.05594	1.8
179.10814	1.3
181.12305	1.2
185.11777	8.6
189.12833	0.9
191.14420	9.2
207.10255	3.4
209.11813	21.5
211.13341	2.3
217.15962	1.0
225.11330	3.8
235.08406	0.8
237.11255	5.5
245.19080	17.6
253.09273	42.7
263.20139	4.7
271.16943	2.3
289.18073	100.0
290.18399	5.3
307.19128	98.2
308.19543	5.4
325.20428	1.0
350.33038	0.8
445.21146	1.3
543.28082	2.9
587.45178	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73890	1.0
59.01377	34.8
61.98817	4.4
64.02728	1.1
67.93417	0.9
71.55151	1.7
85.06583	11.0
89.02420	1.2
96.95985	4.8
104.04365	1.1
113.06090	12.5
129.40179	1.1
131.07140	100.0
132.07492	1.5
148.25163	1.0
165.05492	2.5
171.10226	3.7
173.08179	54.1
201.11351	2.0
217.00313	1.4
243.16014	1.3
323.67813	1.2
387.23813	3.5
405.24960	10.6
406.25183	1.3
416.52832	0.9
603.16382	3.3
603.27179	2.3
622.43494	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36187	0.2
51.76131	0.2
52.63343	0.2
55.01879	2.2
57.03453	2.9
58.00592	2.2
59.01379	100.0
60.01717	0.7
61.98820	0.3
63.92374	0.2
66.32606	0.2
68.99824	0.3
69.03458	1.3
69.22487	1.8
69.22905	0.3
70.54732	0.2
71.01381	53.8
72.01736	0.4
72.99313	3.1
73.02946	11.7
75.00879	0.9
78.95939	0.2
81.03468	0.3
83.01385	5.3
84.02182	0.5
85.02949	22.8
86.00081	1.0
87.00878	3.3
88.98812	0.4
89.02444	23.8
90.02764	0.3
95.01387	5.2
96.95998	1.6
97.02944	2.5
99.00874	5.2
101.02442	28.9
102.02732	0.4
103.04049	0.2
111.00888	2.6
112.01661	1.0
113.02449	29.2
114.02795	0.5
115.04025	0.8
119.03497	8.4
122.54719	0.2
124.01653	1.9
125.02453	3.5
126.44822	0.2
129.01949	2.0
131.03528	0.8
133.01430	0.6
141.01961	0.2
142.02687	0.5
143.03496	4.8
148.61009	0.2
149.04578	0.7
159.02968	2.0
161.04552	9.2
171.10262	0.3
177.04034	0.2
179.05571	2.5
180.98291	0.3
189.05272	0.2
192.16617	0.2
206.29146	0.2
219.67731	0.2
237.07504	0.4
255.02930	1.0
272.63065	0.3
283.02536	0.5
301.21445	0.2
323.05161	0.2
329.23016	0.4
381.09744	2.9
381.22803	3.3
382.10114	0.3
399.23886	7.1
400.24039	0.4
403.89902	0.2
423.23172	0.3
439.23630	0.3
441.25189	0.6
446.08429	0.7
469.24484	0.8
479.26245	0.7
495.26340	0.5
507.26242	0.8
513.27051	0.8
543.28076	82.3
544.28387	7.2
554.30878	1.4
561.29114	72.1
562.29510	6.4
603.30164	5.0
604.30475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09478	1.1
59.01382	4.0
61.98826	1.9
69.64234	5.2
69.64648	2.3
71.01389	26.6
71.02468	1.1
72.99303	5.1
75.00878	7.7
77.03989	1.5
79.85838	1.2
95.05009	4.4
96.96027	1.6
97.06579	1.7
97.99835	1.1
105.03476	10.0
106.04271	2.1
109.02969	3.6
113.09721	1.8
115.00385	25.9
121.02949	2.7
123.04518	3.8
125.09708	1.3
132.63089	1.3
133.01468	16.1
133.02963	69.3
134.03754	39.1
135.04533	100.0
136.01596	3.0
136.04831	1.9
137.02446	27.9
139.03999	5.3
141.09250	1.2
147.67064	1.3
150.03203	2.6
153.05559	4.3
158.89331	1.2
161.05984	1.7
165.12834	3.5
177.01927	29.7
178.02715	30.6
179.03513	25.6
181.12305	3.5
183.10223	1.4
195.13858	1.5
211.13316	3.1
247.20685	2.6
259.39636	1.3
261.27649	1.1
273.18744	1.8
274.11938	1.2
283.13229	1.6
283.26749	1.1
289.18042	2.6
291.19662	27.5
292.20135	1.9
299.16415	1.7
301.14520	1.4
307.19174	24.5
309.20728	95.3
310.21118	5.8
345.17026	2.7
407.22272	2.7
425.23599	6.2
443.24377	79.7
444.24664	6.0
467.96820	1.5
469.21906	2.5
478.75214	1.4
487.23318	40.3
488.23416	2.7
554.20972	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	603.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80657	0.6
59.01110	0.8
59.01381	13.6
59.21440	0.6
61.98832	5.2
62.43752	0.5
70.14644	2.5
71.01381	3.3
72.99310	0.6
77.23499	0.7
80.96524	0.7
85.02948	1.1
89.02450	1.1
93.22669	0.6
95.22270	0.6
96.96021	17.7
101.02435	2.2
109.94530	0.6
113.02412	1.3
115.00397	1.5
125.00047	0.6
133.01411	1.3
145.06519	0.6
155.10904	0.8
171.10216	1.5
181.24438	0.6
194.89568	0.7
209.11775	0.7
211.13515	0.9
253.09239	2.1
255.02975	100.0
256.03372	5.0
268.03760	0.7
283.02460	57.2
284.03128	8.1
285.04053	2.2
289.18106	5.9
296.03207	1.0
313.03506	4.3
320.02689	0.7
323.05365	0.8
326.04279	1.4
336.12036	0.7
350.57199	0.6
381.09769	90.6
382.10168	5.4
446.08527	87.2
447.08957	5.8
543.15161	5.3
544.15540	0.9
553.29327	0.8
559.31238	2.7
603.21136	1.2
603.30414	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70953	1.2
54.80900	1.2
59.01366	2.3
61.98816	2.6
71.01381	22.0
71.09964	1.9
71.10300	1.9
72.99303	13.8
75.00859	2.2
78.95892	3.4
93.03506	1.3
105.03474	8.5
109.02945	3.2
111.00828	1.6
115.00362	17.6
121.02919	1.5
122.28751	1.3
123.04522	10.5
125.09698	1.6
133.01445	15.4
133.02954	46.7
134.03740	33.9
135.04521	100.0
136.01680	2.1
136.04845	3.2
137.02437	16.7
139.04044	3.8
151.04031	1.5
153.05542	13.4
171.10217	1.6
177.01918	16.0
178.02705	26.1
179.03497	23.2
180.03734	1.4
183.10240	1.8
191.14429	1.8
195.14001	1.5
202.51523	1.4
211.13347	2.1
239.38383	1.3
247.20624	3.2
249.30620	1.3
253.09357	1.7
289.18094	1.8
291.19632	19.7
293.21133	2.6
307.19159	16.6
309.20691	76.1
310.21078	4.9
324.13910	1.6
327.01727	2.6
345.17099	2.3
425.23212	5.1
443.24365	88.7
444.24295	7.2
448.68665	1.4
459.92340	1.3
469.22028	2.2
487.23318	29.1
488.23578	1.7
603.23834	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	601.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66427	2.2
54.59945	1.9
59.01382	29.6
61.98831	9.5
71.01385	20.3
71.05019	13.5
71.56104	3.1
72.99353	2.4
73.02960	3.7
73.07755	2.0
78.95942	2.0
83.01404	2.4
83.05056	3.8
85.02970	4.6
87.00902	3.6
89.02448	6.8
95.05031	6.3
96.96014	7.8
101.02465	9.9
109.06563	6.4
112.98538	2.2
113.02448	5.7
115.00401	13.0
121.06594	2.6
133.01436	13.4
137.09746	2.6
149.97446	1.9
153.30504	1.9
161.04480	3.6
165.09161	4.6
165.26306	2.3
171.10304	4.1
175.07625	2.5
179.03535	2.7
187.07622	3.7
189.12793	8.3
191.03453	3.0
201.05435	2.2
211.13315	5.1
215.07164	4.0
217.95750	2.3
229.08675	4.2
231.13916	2.3
233.11757	3.7
243.17619	3.3
249.14931	5.1
253.09291	38.0
253.11867	4.2
283.13535	3.0
287.16541	52.9
293.21240	6.6
300.13382	2.6
305.17581	100.0
306.17932	3.4
309.20636	2.4
327.21793	16.1
329.23306	3.0
343.15332	3.5
344.16257	6.0
353.23251	6.4
365.02209	2.3
375.05084	3.9
376.05579	4.0
423.21503	4.4
425.19373	2.9
436.68134	2.1
439.09421	2.6
441.22836	8.3
467.20572	9.4
485.21600	8.7
523.25604	3.2
563.30768	7.0
569.13043	14.7
601.16278	10.3
601.28015	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	601.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.0
61.98828	3.6
62.03588	0.3
71.01374	1.2
71.55347	0.4
73.02948	0.3
78.25491	0.3
79.95734	8.1
89.02453	0.5
93.62281	0.3
95.95193	0.4
96.96008	100.0
97.02977	0.3
99.00865	0.3
101.02410	0.6
105.58678	0.4
108.02173	0.3
110.97604	0.4
115.00364	0.6
119.30013	0.3
121.02946	0.7
133.01404	0.8
134.03726	0.5
135.04565	0.5
136.01576	0.3
137.02437	0.8
150.03250	0.6
151.04019	0.5
165.01964	0.4
165.05513	0.7
181.99457	0.3
193.05083	0.8
195.06567	0.4
203.12741	0.3
214.13974	0.3
241.00235	1.3
281.08035	0.5
293.13571	0.3
403.23523	0.4
450.22821	0.4
476.16763	1.2
601.15894	52.7
602.16339	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	601.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66336	0.8
69.21898	1.3
69.22304	6.4
72.32475	0.9
79.00244	0.8
96.95988	3.7
98.19764	0.8
108.02168	60.2
109.02342	1.0
109.02966	13.4
123.04520	0.7
133.02917	1.1
151.03992	1.0
152.01143	51.2
153.01930	27.9
163.03937	1.5
285.06131	100.0
286.06390	3.3
315.07126	2.3
443.18143	0.8
468.71185	0.9
485.76898	0.8
601.16003	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.0273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11339	0.6
59.01377	100.0
61.91725	0.6
65.87746	0.5
69.07417	0.6
70.67425	1.9
115.02522	7.7
116.75193	0.6
116.97266	0.6
117.00452	6.2
132.98213	1.5
156.99983	1.5
157.03554	3.0
159.01488	76.0
160.01636	2.6
174.99242	18.9
175.00691	1.2
176.98114	5.9
201.02544	26.6
202.02797	1.3
217.00282	54.6
218.00706	1.0
247.50558	0.6
259.01624	3.1
274.99445	3.3
282.46625	0.6
298.99866	0.7
301.02658	59.1
302.02744	6.1
317.00409	38.6
318.00763	2.3
332.98465	1.8
359.01468	20.8
374.99570	2.8
380.38446	0.6
401.03018	1.1
407.05844	0.7
456.98865	0.8
459.01578	17.6
460.01871	2.4
498.99750	1.4
541.00598	43.5
542.00732	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	601.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05030	1.5
71.33535	1.9
71.33875	2.0
75.00896	1.7
77.05067	1.6
96.96005	14.3
108.02165	65.2
109.02957	37.9
151.03970	2.2
152.01149	53.4
152.02390	2.6
153.01933	81.4
238.50789	1.7
275.25995	1.6
285.06140	100.0
286.06503	3.2
315.07230	44.2
316.07358	1.7
351.04492	1.6
378.01807	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	601.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.5
61.28183	0.3
61.98828	3.5
71.01357	0.8
79.95728	10.8
80.96523	0.8
82.68936	0.3
88.98809	0.6
89.02422	0.9
95.95226	2.4
96.96007	100.0
101.02428	0.4
110.96837	0.6
110.97577	9.8
115.00384	0.5
121.02945	0.4
122.97578	0.8
123.04536	0.3
131.07152	0.6
133.01369	0.6
134.04716	0.4
135.04466	0.4
149.12569	0.4
150.03223	0.6
151.51720	0.3
165.05493	1.0
173.08145	0.4
179.05690	0.4
179.07095	0.5
195.06561	0.7
252.59674	0.4
260.03537	1.1
261.04346	0.8
269.08212	1.5
273.04367	0.9
285.04395	0.4
285.11255	0.6
287.09119	0.7
298.08331	0.5
299.09235	1.0
300.09824	0.6
311.09085	0.6
312.10031	0.5
313.10721	1.9
314.11514	2.9
315.12299	1.4
326.11459	1.1
327.12234	0.9
328.13080	1.2
329.13849	2.2
341.13809	1.0
371.15012	0.8
393.06485	1.3
394.07166	1.5
395.07852	0.9
401.15558	0.4
407.07806	1.0
408.08679	2.7
409.04453	0.6
409.09589	8.6
421.09729	2.4
439.10654	16.4
440.10886	0.9
462.80042	0.5
481.11429	0.5
601.15881	75.9
602.16180	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	601.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.5
61.28183	0.3
61.98828	3.5
71.01357	0.8
79.95728	10.8
80.96523	0.8
82.68936	0.3
88.98809	0.6
89.02422	0.9
95.95226	2.4
96.96007	100.0
101.02428	0.4
110.96837	0.6
110.97577	9.8
115.00384	0.5
121.02945	0.4
122.97578	0.8
123.04536	0.3
131.07152	0.6
133.01369	0.6
134.04716	0.4
135.04466	0.4
149.12569	0.4
150.03223	0.6
151.51720	0.3
165.05493	1.0
173.08145	0.4
179.05690	0.4
179.07095	0.5
195.06561	0.7
252.59674	0.4
260.03537	1.1
261.04346	0.8
269.08212	1.5
273.04367	0.9
285.04395	0.4
285.11255	0.6
287.09119	0.7
298.08331	0.5
299.09235	1.0
300.09824	0.6
311.09085	0.6
312.10031	0.5
313.10721	1.9
314.11514	2.9
315.12299	1.4
326.11459	1.1
327.12234	0.9
328.13080	1.2
329.13849	2.2
341.13809	1.0
371.15012	0.8
393.06485	1.3
394.07166	1.5
395.07852	0.9
401.15558	0.4
407.07806	1.0
408.08679	2.7
409.04453	0.6
409.09589	8.6
421.09729	2.4
439.10654	16.4
440.10886	0.9
462.80042	0.5
481.11429	0.5
601.15881	75.9
602.16180	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	599.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.5
57.03440	2.7
59.01377	6.1
61.98834	4.9
67.01882	1.5
69.03456	98.2
69.16676	7.0
69.17095	1.8
70.03787	0.8
71.01379	6.0
72.99306	2.1
73.02956	1.4
79.01898	3.2
80.96534	0.9
83.01358	0.9
85.02955	19.4
89.02474	1.0
95.01397	3.2
96.96008	14.5
97.02950	18.9
99.00264	1.8
99.00882	26.5
101.02406	1.9
113.02460	1.8
123.00929	1.4
123.58270	0.8
129.01950	1.6
141.01947	8.4
147.03017	2.7
150.33194	0.8
168.68866	0.9
171.10277	2.7
185.00912	100.0
186.01326	1.3
191.02014	9.6
201.11307	1.2
209.02994	2.0
209.11838	3.0
211.13383	1.4
253.09285	6.7
313.04865	0.9
323.68848	0.8
325.20181	1.0
327.21692	8.6
399.10748	1.9
413.21765	10.1
563.30652	5.5
599.23950	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	599.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73182	3.0
54.86007	3.2
57.03458	3.8
69.87628	7.7
69.88038	11.8
83.01402	6.8
83.05022	5.9
90.56174	3.5
95.05055	3.7
97.02982	3.7
97.06582	9.3
98.19963	5.0
123.04521	8.3
123.08168	6.2
125.09666	16.4
135.08214	4.0
137.06114	4.2
137.09734	9.3
163.11258	9.3
165.12798	13.6
177.43365	3.6
185.11783	13.6
191.14421	15.5
207.10278	7.5
209.11826	78.0
225.11331	6.7
245.19106	32.9
247.20538	6.7
271.17099	4.6
289.18100	100.0
290.18463	5.9
291.19693	32.7
307.19119	88.7
596.76111	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	597.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
58.02969	0.4
59.01141	0.3
59.01380	2.7
61.98830	3.4
69.03439	0.4
69.65408	1.6
70.36706	0.3
71.01379	1.9
73.02944	0.4
75.00873	1.3
77.67701	0.3
79.59068	0.2
81.03453	10.0
83.05024	32.2
84.05387	0.3
85.02945	1.8
87.00849	0.3
89.02442	1.3
93.03440	0.2
96.96004	1.0
97.02918	0.4
98.20654	0.4
100.07689	5.0
101.02442	1.9
110.91367	0.2
113.02437	0.7
119.03445	0.5
121.02946	0.4
126.05608	0.7
127.03991	0.3
129.01959	0.4
135.04492	0.3
145.04971	0.3
151.06416	0.8
152.07152	0.8
161.04610	0.4
179.05646	0.4
182.15457	0.3
183.13849	0.7
199.13370	5.6
199.16269	0.3
199.18149	6.5
205.03613	0.6
209.11569	0.3
211.13391	9.7
224.17723	0.7
225.16075	7.9
226.14482	0.4
226.16493	0.3
243.17113	17.8
244.17361	0.5
253.09311	1.1
269.14984	1.2
309.21796	0.9
335.19522	0.3
342.98572	0.3
352.22202	0.3
353.20767	7.6
354.20929	0.4
375.27713	0.4
397.13510	2.7
415.14563	0.9
433.31570	0.3
435.09930	0.3
435.16208	0.5
447.22327	2.3
451.32870	2.2
469.33887	13.4
470.34003	1.6
481.23532	0.5
495.31714	0.3
535.38196	0.4
537.32831	0.3
579.37634	3.6
580.37939	0.5
597.38672	100.0
598.28711	0.9
598.38818	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	598.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.3
61.98829	100.0
71.01383	0.7
71.55209	0.2
71.55606	0.2
74.16646	0.2
75.00869	0.3
76.41299	0.2
85.02972	1.2
89.02479	0.2
96.96003	2.0
101.02487	0.3
113.02462	0.2
121.02985	0.3
125.02452	0.2
133.01410	0.3
147.03058	0.2
151.00397	0.7
151.77264	0.2
167.03557	0.3
191.01971	0.6
193.52261	0.2
209.11894	0.3
211.13358	1.0
253.09195	0.4
263.32813	0.2
304.33081	0.2
364.08994	0.4
375.27588	0.9
376.27823	1.5
381.09775	1.6
382.10040	1.3
447.22543	0.3
543.14960	1.0
544.15247	2.5
555.28046	0.5
571.47980	0.2
598.28650	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54012	0.2
57.03434	0.2
59.01383	1.0
60.20176	0.2
61.98831	100.0
63.99210	0.1
70.85706	0.3
70.86027	0.2
71.01386	1.0
74.92628	0.2
75.00907	0.2
85.02937	1.1
89.02410	0.4
93.10000	0.2
96.92564	0.2
96.96008	1.1
101.02415	0.3
108.53589	0.2
113.02465	0.2
144.09048	0.2
147.02963	0.2
171.10254	0.3
191.02011	0.7
205.29478	0.2
209.11835	0.2
211.13481	0.4
253.09413	0.5
327.21881	0.6
381.09961	0.3
382.10165	0.5
430.17722	0.2
461.41577	0.2
543.15698	0.4
544.15857	0.5
561.29065	0.8
562.29456	3.0
562.37451	0.3
563.30896	0.7
598.27026	1.9
599.27679	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38713	3.4
57.03445	3.7
58.14079	3.6
59.01384	22.0
61.98837	23.8
64.22098	3.8
69.03441	8.9
71.01369	20.8
73.02946	4.0
85.02950	13.8
89.02444	7.0
94.36723	3.8
95.71254	3.2
96.96011	20.6
97.02943	19.1
99.00867	6.6
101.02471	8.2
101.75855	4.0
109.27600	3.2
113.02460	5.5
115.00343	3.7
121.02927	6.1
133.02931	6.3
137.02464	3.9
149.02466	12.1
150.03169	4.1
153.09192	7.5
155.10764	6.4
157.08655	3.5
161.04510	4.4
163.11337	3.7
171.10294	13.5
177.01933	8.2
178.02715	4.3
185.11823	11.7
197.11862	5.7
199.09735	17.0
209.11813	59.3
211.13371	13.2
225.11211	5.4
227.12930	8.1
229.14449	5.4
231.15979	6.3
237.14894	6.0
253.09276	41.9
255.03032	7.1
283.02478	4.5
289.18033	14.7
307.19113	85.1
325.20203	46.7
326.20346	5.2
335.09537	3.7
381.09723	11.9
399.10818	36.9
463.21204	5.4
474.20721	10.6
492.12564	4.5
543.28082	100.0
544.28082	7.7
561.29089	39.3
597.26654	96.0
597.35126	6.8
598.27014	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	595.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41328	1.4
55.32194	1.6
59.01362	3.9
61.98830	48.3
67.69863	1.5
71.01387	7.2
71.55517	3.3
78.95911	3.9
78.98595	3.1
79.95732	7.0
80.96521	50.1
85.02942	3.1
87.00877	3.0
88.71016	1.4
94.98081	13.0
96.96017	4.1
98.54267	1.5
101.02435	1.6
125.02453	2.3
134.97614	2.8
148.99101	4.4
152.98599	4.9
164.98630	9.9
166.65785	1.5
171.10349	2.3
173.11496	1.6
206.99622	1.9
225.00699	12.5
277.21762	1.8
295.22867	2.7
296.22845	2.5
299.04398	2.8
323.22375	3.3
431.17868	1.7
521.30743	8.4
595.27924	100.0
596.28107	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	595.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10017	16.4
59.01369	42.7
61.98828	100.0
71.01362	25.3
71.56090	16.4
80.96517	17.9
85.02940	33.7
88.98818	32.3
89.02429	17.6
93.03455	19.8
96.96049	24.9
97.02938	18.4
99.34277	12.6
102.07751	11.8
112.63747	11.1
113.02436	21.8
133.02910	12.8
156.62354	12.6
178.02730	11.9
183.13924	31.7
191.01907	15.6
194.65784	13.0
199.09581	12.9
227.12869	23.6
228.25328	12.8
323.22208	57.0
367.41333	14.8
470.42432	13.2
503.32324	35.0
559.31512	13.7
595.27167	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2886
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.90717	0.4
50.92253	0.4
52.37362	0.4
69.46015	2.0
69.46436	1.2
78.95902	60.9
96.96363	0.9
96.96959	12.5
150.98016	1.0
152.99583	53.2
153.99884	0.5
202.10516	0.4
223.00143	2.0
227.10666	0.5
241.01186	27.4
259.02301	0.7
279.23273	62.0
280.23584	3.6
282.73029	0.5
315.04837	7.6
415.22571	4.2
433.25604	0.5
595.28864	100.0
596.29224	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	595.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10017	16.4
59.01369	42.7
61.98828	100.0
71.01362	25.3
71.56090	16.4
80.96517	17.9
85.02940	33.7
88.98818	32.3
89.02429	17.6
93.03455	19.8
96.96049	24.9
97.02938	18.4
99.34277	12.6
102.07751	11.8
112.63747	11.1
113.02436	21.8
133.02910	12.8
156.62354	12.6
178.02730	11.9
183.13924	31.7
191.01907	15.6
194.65784	13.0
199.09581	12.9
227.12869	23.6
228.25328	12.8
323.22208	57.0
367.41333	14.8
470.42432	13.2
503.32324	35.0
559.31512	13.7
595.27167	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2782
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
59.01381	1.0
60.20569	0.4
61.98831	6.5
63.96224	0.6
71.01382	6.2
71.46702	0.5
73.02929	1.2
78.98591	4.8
79.95737	9.3
80.96518	54.8
81.03449	0.9
82.96078	0.5
85.02956	2.2
87.00864	1.8
94.98093	13.6
96.96010	1.5
97.02934	1.2
99.00863	0.6
101.02448	2.4
103.40768	0.4
106.98093	2.4
121.02938	0.9
122.97620	2.4
125.02430	2.3
134.97585	4.4
136.99110	1.4
148.99152	4.0
152.98608	4.6
164.98622	10.3
167.00243	0.6
188.98495	0.5
195.13850	0.6
206.99663	2.2
225.00723	16.0
247.89058	0.5
277.21780	0.8
295.22623	1.5
296.22971	0.5
299.04459	2.7
309.43942	0.4
330.14832	0.5
521.31439	0.5
531.25183	0.5
595.27911	100.0
596.28223	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	595.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76193	0.5
57.03424	1.0
58.00595	1.0
59.01379	24.0
61.82724	0.5
61.98832	12.3
69.32742	4.1
70.95096	0.5
71.01380	24.1
72.99302	1.6
73.02950	0.9
83.01386	1.5
85.02951	5.6
86.41062	0.5
87.00847	0.7
89.02443	9.2
90.19487	0.5
95.01390	1.3
96.96002	2.9
98.02460	0.8
101.02445	8.8
102.62533	0.5
113.02429	5.2
115.00363	8.4
119.03483	3.2
119.05018	10.2
129.01903	1.1
131.83717	0.5
134.03807	0.5
134.62654	0.5
135.11786	1.5
147.08148	14.3
149.05904	0.5
151.00372	0.8
151.07616	1.7
155.03485	0.6
155.10870	0.6
163.04010	14.9
164.07190	0.7
171.10258	1.8
191.01788	0.6
197.11845	0.8
205.03491	1.1
205.06450	0.7
209.11906	0.6
252.39174	0.6
255.02962	15.3
256.03680	4.9
261.91690	0.6
283.02481	17.3
284.03247	15.0
284.06409	0.8
285.04053	4.7
299.16528	5.5
301.17981	3.0
317.17374	0.6
357.14679	4.8
373.25931	11.6
433.09192	8.8
445.07785	0.8
446.08484	5.0
447.08987	0.7
461.20660	0.6
479.22849	100.0
480.23163	8.1
535.09460	0.6
563.21991	2.8
595.14441	6.4
595.24963	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	595.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55962	0.4
55.65351	0.5
58.00588	1.2
59.01379	27.3
61.98537	1.0
61.98830	13.7
66.30659	0.6
69.32491	1.1
69.32910	3.3
71.01379	22.5
72.99331	0.9
83.01379	1.6
85.02954	5.2
87.00861	0.5
89.02443	10.0
93.03483	0.6
96.96028	2.0
98.02494	0.9
99.00858	0.7
99.05569	0.6
101.02442	8.3
113.02464	5.6
115.00368	9.1
119.03544	3.3
119.05012	9.8
129.01913	0.6
135.11792	1.5
147.08148	15.6
151.07608	1.0
161.04597	1.0
163.04019	16.1
163.05388	0.8
164.07161	0.7
166.08751	0.5
191.05510	0.7
197.11798	1.2
205.06465	0.9
207.10324	0.6
209.11771	0.6
255.02966	9.3
256.03745	2.7
283.02463	10.2
284.03238	9.2
285.03778	2.5
299.16534	5.5
301.18045	3.1
317.17303	0.7
331.13992	0.5
355.24902	0.7
357.14539	4.3
373.25958	12.8
433.09192	6.1
446.08517	2.9
447.09018	0.6
461.20474	0.6
479.22845	100.0
480.23276	7.4
538.32568	0.6
541.26208	0.6
563.21857	3.7
567.80884	0.6
595.14478	3.5
595.24396	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	595.1667
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
59.01367	1.9
59.52112	0.7
60.86541	0.6
68.99805	1.2
71.01385	1.8
73.02922	0.8
76.45770	0.8
79.01889	1.5
81.03448	2.4
83.01390	3.2
85.02969	1.1
93.03453	5.7
95.01340	1.6
95.05046	0.9
96.96014	5.1
97.02953	3.1
101.02465	0.9
107.01382	5.1
107.05053	1.0
109.02951	2.1
111.00903	0.8
111.04499	2.4
113.02401	1.2
113.03528	2.2
114.01974	1.5
117.03478	0.9
119.05031	34.9
121.02953	3.0
123.00892	1.0
123.04517	2.4
125.02456	7.5
131.04601	9.4
131.07079	1.0
132.02983	1.8
133.02936	1.0
135.04514	2.4
136.01591	0.9
137.02457	4.4
138.03311	0.8
139.03986	4.3
143.05023	5.8
145.02983	5.0
147.04500	2.1
149.02472	4.6
150.03165	1.8
151.00380	4.4
151.03996	1.7
155.03529	1.3
159.04443	1.2
161.02402	1.9
161.06073	2.9
163.00371	3.0
163.04028	3.4
164.01164	1.2
165.01945	4.2
165.05641	0.8
167.03484	9.0
173.06081	0.8
175.03975	0.9
177.01942	5.1
177.05588	1.8
179.03450	3.1
185.06114	0.8
187.04044	5.6
189.05446	1.0
191.03482	2.4
192.00584	1.1
193.01404	8.9
193.04965	1.2
197.04480	2.9
199.07632	1.9
203.03629	0.8
205.01361	6.4
205.04913	0.9
207.02922	3.8
209.04555	5.4
211.07571	0.9
217.01529	0.8
217.04906	0.8
219.02922	3.2
221.04453	1.8
223.02548	1.4
227.07146	2.6
233.04431	1.4
235.02493	14.1
236.02881	1.0
238.63692	0.8
239.05534	2.5
241.08539	0.9
243.06406	0.9
246.16315	0.7
247.02446	1.9
249.03915	2.6
261.03964	1.7
265.03531	5.3
265.08591	0.9
267.06592	1.2
271.06046	2.5
283.06110	2.3
291.05154	1.3
295.04355	0.7
297.07510	1.4
297.15677	0.9
311.05338	0.9
311.08929	1.0
313.07153	17.8
314.07489	0.9
325.07104	6.5
327.08667	1.6
343.08206	6.8
355.08212	75.2
356.08521	4.0
367.08237	4.6
369.09555	1.1
376.33667	0.7
385.09277	63.4
386.09598	3.0
397.09354	3.7
415.04907	1.2
415.10352	17.5
416.10925	1.2
427.10208	1.6
439.10513	1.5
457.11548	6.4
475.12436	33.5
476.12808	1.9
481.74646	0.8
487.12457	4.7
505.13507	9.0
577.15558	3.1
595.16650	100.0
596.17084	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	594.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.4
58.68268	0.4
59.01377	19.6
61.98820	1.5
71.01377	1.2
72.01679	0.4
73.02959	0.4
77.46226	0.4
78.95900	24.8
78.98594	0.8
79.95740	1.7
80.32935	0.3
80.96516	7.0
94.98109	1.6
96.04483	0.3
96.96973	0.5
97.06568	0.4
98.19860	0.9
101.02365	0.4
106.98045	0.4
113.09740	2.2
114.91106	0.3
115.36494	0.3
119.82178	0.3
122.97662	0.4
122.98516	1.0
134.97563	0.4
148.99188	0.4
152.98544	0.5
152.99594	4.6
164.98607	1.1
168.04312	4.4
172.80605	0.4
177.12889	0.8
179.14377	1.4
181.12302	0.8
195.13890	20.0
196.14185	0.7
224.06909	9.5
225.00760	1.0
226.00967	0.7
242.07921	2.4
251.23570	0.6
256.43588	0.3
277.21704	15.5
278.22195	0.7
286.59467	0.4
295.22772	68.1
296.23148	3.7
299.04208	0.4
340.32199	0.3
446.98349	0.3
449.23221	1.5
475.25336	0.4
520.30408	100.0
521.30719	8.0
535.26465	0.4
594.26685	11.4
595.26776	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	594.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70239	2.6
62.17815	2.8
69.40562	21.4
73.83233	2.6
74.21756	2.4
87.04525	3.6
89.10596	2.6
131.07079	6.6
137.38989	3.0
337.34802	10.8
361.94763	2.7
383.35275	10.5
389.54230	3.0
426.40060	3.0
438.39151	3.8
558.47314	100.0
558.55994	5.0
559.47461	10.4
594.45459	14.1
595.45129	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	594.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72296	0.4
56.53646	0.3
57.03446	0.8
59.01381	20.8
61.98823	0.7
69.27593	0.9
69.27999	2.1
71.01383	1.4
78.95903	11.5
78.98583	0.9
79.95737	6.0
80.96513	9.5
82.96117	0.6
83.05003	0.3
85.02943	0.8
87.00885	0.5
89.01774	0.4
91.14906	0.3
94.98100	2.1
98.19943	0.8
113.09711	2.3
119.68605	0.4
122.48756	0.4
134.97563	0.8
137.45653	0.3
148.99110	1.0
152.98643	0.4
152.99635	3.1
159.68684	0.3
164.98677	1.7
165.98946	0.4
168.04306	2.6
169.29764	0.3
177.12845	0.8
179.14395	1.1
181.12283	1.0
195.13890	20.2
196.14252	0.7
199.54085	0.3
206.99586	0.7
224.06938	2.6
225.00719	2.5
225.93367	0.3
226.00983	0.8
241.00183	0.5
242.08008	4.0
251.23714	0.5
259.46487	0.3
277.21704	19.9
278.22067	1.2
295.22763	100.0
296.23105	4.7
318.06476	0.4
372.06842	0.4
449.22900	1.6
496.18994	0.5
520.30426	92.9
521.30817	7.2
525.83606	0.4
594.26642	22.2
595.26428	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	594.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
61.98830	100.0
71.01394	0.3
71.55274	0.2
79.95766	0.2
80.96523	0.9
89.95271	0.1
91.26134	0.1
94.98091	0.2
96.96043	0.2
109.71058	0.1
134.97519	0.1
225.00691	0.2
245.70203	0.1
250.91405	0.1
270.57397	0.1
295.22900	0.4
296.22946	0.3
297.23456	0.2
298.23502	0.2
494.56680	0.1
520.30829	0.2
594.26727	1.6
595.27588	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75159	0.3
59.01390	0.4
61.64744	0.4
61.98829	100.0
71.01398	0.6
71.54711	0.5
73.12868	0.4
83.01395	0.8
87.00871	0.7
96.96033	1.1
99.00830	0.4
109.02966	1.0
111.00878	1.1
115.00389	1.9
117.03457	0.3
117.66851	0.4
119.24433	0.3
135.04536	0.8
137.02483	0.9
139.00404	1.3
156.00685	1.3
157.01390	3.2
174.01657	0.9
175.02505	2.5
177.01877	0.5
181.50307	0.3
191.03529	0.7
193.05048	1.9
193.46353	0.3
206.02165	0.6
207.06708	1.0
233.04532	0.5
234.05386	1.3
257.04837	0.4
261.53891	0.4
275.05600	0.8
279.04950	0.5
279.08844	0.5
289.07269	0.8
296.02588	0.3
302.20364	0.3
307.08228	10.9
308.08456	0.7
311.91901	0.4
331.13989	0.4
354.07227	0.5
469.13434	7.5
470.13821	0.5
471.11380	1.7
481.10168	0.4
495.11261	0.6
513.12512	3.9
533.92395	0.4
594.15131	2.5
595.16278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10891	0.8
55.01854	1.4
57.03428	1.9
59.01380	100.0
61.36423	0.8
61.98819	2.8
69.26689	2.5
69.27119	4.5
71.01005	1.2
71.01378	16.0
72.99307	0.8
73.02946	5.4
83.01379	1.9
85.02958	8.0
85.48870	0.8
89.02433	3.6
95.01362	1.7
96.96011	1.8
97.02956	1.4
98.19840	1.5
99.00871	1.5
101.02448	7.6
106.99855	0.8
111.26977	0.8
112.38127	0.7
113.02448	8.6
140.75410	0.8
143.03491	1.2
144.04417	0.8
152.51964	0.7
158.45296	0.8
161.04533	2.4
170.94537	0.7
173.64548	0.8
299.25940	1.3
345.29971	3.5
374.02158	0.8
379.92752	0.9
423.90851	0.9
486.16641	0.9
489.34335	53.3
490.34583	5.3
504.45425	0.8
507.35330	24.7
508.35550	2.5
549.36731	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	593.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.3
59.01379	100.0
61.98823	6.3
62.83538	1.5
69.03462	2.8
69.38535	1.4
71.01380	12.6
71.80922	1.6
73.02958	4.6
83.01384	4.2
85.02939	8.1
85.55523	1.5
87.00874	3.0
96.96014	1.5
97.02954	2.4
99.00874	2.6
101.02438	10.8
111.00908	1.5
113.02434	4.8
137.09784	1.6
155.10783	2.9
159.02945	2.0
161.04601	1.8
199.09734	1.9
257.43118	1.6
270.25644	1.5
290.68658	1.6
345.30121	5.1
411.94724	1.5
424.29492	1.7
458.75403	1.6
489.34332	61.0
490.34680	4.3
507.35419	26.8
507.51135	1.7
533.29810	4.9
549.36713	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	593.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
57.03442	2.6
59.01377	28.8
61.98837	4.7
69.03436	0.7
69.37935	5.0
69.38353	1.6
71.01380	17.9
71.05013	1.2
72.99284	1.2
73.02938	8.8
83.01377	3.1
83.05033	1.5
84.02144	0.8
85.02951	10.8
87.00874	1.7
89.02455	4.3
95.01363	1.4
95.05011	1.1
96.95995	4.1
97.02935	1.1
98.19936	2.0
99.00859	2.8
99.08140	2.4
101.02436	10.2
101.06076	2.8
111.08202	1.2
113.02431	7.5
113.06154	1.0
113.09691	1.0
116.92797	1.3
123.08148	1.4
125.02379	1.4
125.09707	1.9
129.09200	2.0
131.70918	0.8
139.11273	2.6
141.09204	2.3
147.89798	0.9
155.10773	1.1
159.02946	0.9
161.04533	4.3
163.11285	1.3
165.12869	4.7
171.10249	6.5
181.12355	4.3
183.13896	3.9
227.12930	1.5
245.13910	2.1
263.20334	1.3
281.21075	1.0
283.22849	0.9
289.16501	3.9
299.22305	1.2
327.21722	3.3
329.23331	7.1
345.22809	6.4
359.78729	1.0
371.24261	1.1
421.20795	25.2
422.21289	1.2
489.26974	13.5
490.27551	1.2
507.28064	20.4
508.28183	1.1
533.30505	0.9
549.29108	100.0
550.29633	7.2
593.14423	1.0
593.28204	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88754	0.9
55.01858	1.3
57.03440	2.3
58.00591	2.0
59.01378	47.8
61.98851	4.8
69.28925	9.0
71.01380	21.5
72.99302	2.4
73.02933	4.4
83.01382	2.7
85.02949	9.4
87.00870	1.8
88.98782	1.3
89.01933	1.5
89.02444	13.5
95.01385	1.1
96.96001	4.3
97.02985	1.4
99.00909	1.3
101.02453	15.4
111.00840	1.1
111.28003	1.0
113.02437	8.3
115.00423	1.5
119.03488	3.2
125.09696	1.6
131.03458	1.5
133.01421	1.5
165.12766	1.9
171.10265	46.1
172.10577	1.4
181.12296	1.5
247.20670	1.0
253.09140	1.5
263.20056	2.1
289.16837	1.2
327.21805	3.8
345.22772	5.6
353.32166	1.0
357.22751	3.5
421.20761	14.3
488.49246	1.1
489.26968	15.8
507.28101	29.2
508.28314	2.4
549.29132	100.0
550.29395	7.6
584.97668	1.1
593.32562	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	593.2637
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01384	0.7
61.98832	72.9
62.98531	1.1
63.96239	1.0
64.77249	0.4
71.01383	5.7
73.02954	1.3
78.98599	4.1
79.95334	0.4
79.95739	32.4
80.96518	50.6
81.03462	0.5
85.02975	2.0
87.00871	1.8
94.98090	11.9
95.01395	0.4
96.96032	1.2
97.02988	0.9
99.00879	0.6
101.02465	1.5
106.98082	2.6
108.77673	0.4
118.00980	0.4
122.97560	2.4
125.02446	2.3
127.04054	0.7
134.97581	3.3
136.99162	0.8
147.57588	0.3
148.99155	4.2
152.98607	4.4
158.14709	0.4
161.04564	1.5
164.98636	9.3
179.00281	0.5
206.99680	2.6
225.00740	13.6
241.00227	2.4
243.01825	0.5
293.21060	0.5
299.04486	3.3
315.03830	1.2
341.05627	0.8
341.55048	0.5
371.06476	2.3
385.07959	1.5
399.09735	1.9
413.11298	1.6
427.12909	0.5
441.14474	0.7
455.16095	2.9
481.17426	0.7
495.19049	2.0
523.18457	0.9
524.19360	0.5
593.26337	100.0
594.26685	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87157	0.5
53.43061	0.4
59.01374	1.2
62.96403	0.7
64.38767	0.4
68.60130	0.4
69.21584	3.4
69.22000	1.0
78.95901	64.4
96.96962	13.1
134.98515	0.6
150.97995	0.6
151.06454	0.5
152.99580	54.1
154.00014	0.6
171.00728	0.5
223.00125	1.3
233.22740	0.5
241.01172	27.5
242.01295	0.7
266.41010	0.5
277.21701	46.8
278.21951	2.1
281.94781	0.5
315.04831	8.8
350.18939	0.5
408.72131	0.4
413.20917	5.7
497.32779	0.5
593.27277	100.0
594.27612	9.7
617.11731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1512
Annotation	Rhamnocitrin 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
50.27102	0.2
59.01377	1.1
63.02402	0.3
68.05487	0.2
69.53228	1.6
73.02944	0.5
79.95721	0.3
85.02956	0.6
89.02438	0.4
96.96009	15.5
98.19990	0.4
101.02412	0.3
107.01392	0.5
108.05929	0.3
117.28726	0.2
134.03720	0.7
151.00388	1.1
211.04057	0.4
227.03535	0.5
239.03513	0.3
255.02858	1.3
256.03754	2.6
269.04288	0.3
283.02603	0.5
284.03241	100.0
285.03601	4.6
297.03979	0.4
299.05585	92.7
300.05969	4.0
341.06516	1.0
371.15030	0.3
410.03342	0.3
461.10669	0.5
473.11090	0.3
497.77557	0.3
533.25507	0.4
549.28851	0.4
593.15088	35.4
594.15491	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	593.2634
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01381	0.8
61.98827	4.7
63.96230	1.1
69.03442	0.4
71.01382	6.4
71.55782	0.5
73.02950	1.2
78.95910	0.4
78.98140	0.6
78.98584	5.3
79.95734	9.5
80.96516	60.2
81.03439	0.5
83.01371	0.4
85.02964	2.5
87.00879	2.1
94.98086	14.9
95.01419	0.6
96.96020	1.5
97.02953	1.5
99.00914	0.6
99.04574	0.4
101.02472	2.1
101.03004	0.3
106.98105	2.6
113.02460	0.4
113.09723	0.4
121.02945	1.2
122.97555	2.7
123.85242	0.3
125.02445	3.1
127.03983	0.8
131.18304	0.3
131.99142	0.4
134.97580	4.2
135.16301	0.3
136.99152	1.1
146.97639	0.5
148.99135	6.4
152.98621	4.9
152.99733	0.4
164.98618	11.3
167.00169	0.5
179.00145	0.4
188.98584	0.5
205.48785	0.3
206.99712	2.6
209.04512	0.6
225.00722	15.0
226.00847	0.5
293.21225	1.5
299.04282	2.8
593.26312	100.0
594.26636	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	593.1508
Annotation	Vicenin 2
Peak:m/z	Relative Intensity
51.68750	0.3
56.46161	0.3
59.01374	0.5
63.36846	0.4
71.00028	0.8
71.01373	0.9
86.05591	0.3
91.05539	0.5
93.03443	1.2
117.03474	4.4
119.04983	1.0
131.05000	0.5
135.04559	1.9
147.04475	0.6
149.02408	0.8
159.04449	0.6
161.02475	2.0
161.06062	0.4
163.03940	1.8
175.03949	1.6
177.05536	1.3
179.03467	0.4
189.01826	0.6
189.05672	0.4
191.03482	1.8
203.03438	1.0
205.05064	0.6
221.04387	0.5
223.07814	0.4
224.39514	0.4
227.27678	0.4
233.04446	0.6
235.07512	0.5
237.05594	0.4
238.06366	0.5
245.04572	0.6
253.05128	0.4
253.08655	0.9
267.06607	0.7
268.07419	1.1
271.41022	0.4
278.05698	0.4
281.04480	0.6
282.05255	1.6
283.06158	3.0
295.06058	4.9
296.06873	2.6
297.07645	20.2
298.07910	1.0
307.06091	2.4
308.25601	0.4
309.07663	2.4
311.05606	2.3
322.04797	0.7
323.05539	3.5
324.06363	0.6
325.03329	0.5
325.07147	8.4
326.07483	0.4
328.05975	3.0
335.05710	1.0
337.07254	3.1
351.05109	0.7
353.06631	36.7
354.06973	2.8
355.08289	0.9
356.05255	0.9
365.06631	3.9
367.08243	0.7
383.07672	21.2
384.08069	1.6
388.59445	0.5
395.07697	3.4
397.09058	0.5
413.08585	2.4
425.08994	0.8
437.08728	0.5
455.09372	0.6
473.10840	10.6
474.11215	0.8
503.11801	2.7
575.14050	0.7
593.15076	100.0
594.15387	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	592.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.4
59.01377	26.0
61.98835	3.7
67.38181	0.5
70.41035	0.8
71.01374	1.2
78.95901	12.0
79.95722	0.8
80.96512	2.7
81.28654	0.4
81.29539	0.4
85.55051	0.5
87.00935	0.6
95.50983	0.5
96.96964	0.8
104.13843	0.4
111.08183	0.6
113.09718	0.7
152.99570	3.8
168.04346	2.8
171.00711	0.5
179.14401	1.9
195.13879	11.4
196.14592	1.1
205.12318	1.2
205.16005	0.9
211.13364	1.3
223.13354	8.8
223.15341	0.7
224.06854	2.0
225.00790	0.6
228.13637	1.5
231.21150	0.5
242.07986	5.2
256.13141	1.0
265.21857	0.6
275.20099	5.9
293.21204	84.8
294.21536	4.5
307.22754	1.8
313.38348	0.4
447.21579	2.9
518.28827	100.0
519.29211	5.6
532.30347	0.8
592.25177	1.6
593.26129	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	592.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.7
59.01377	27.2
61.98828	25.3
69.19919	5.7
71.05037	0.6
74.03591	0.5
77.40862	0.6
78.95903	32.4
79.50697	0.5
80.96508	2.5
94.98123	0.7
96.04570	0.5
96.97002	0.5
97.06558	0.7
98.20654	1.1
100.88776	0.6
102.92565	0.5
113.09724	22.2
121.02940	1.6
122.98523	1.5
126.01328	0.7
127.11220	0.7
139.11263	2.5
149.09692	0.8
152.98534	0.7
152.99597	5.1
167.10756	3.3
168.04301	5.2
174.91023	0.7
177.12843	2.8
179.10789	2.9
179.14355	1.0
195.13956	3.4
209.04562	1.5
224.04839	1.1
224.06918	12.4
242.07991	4.5
249.22256	3.2
275.20078	1.6
293.21210	96.2
294.21548	4.5
307.22769	11.8
308.22961	1.1
360.54663	0.5
473.23410	0.5
490.10934	0.6
518.28839	100.0
519.29120	7.4
532.30420	20.8
533.30792	1.7
592.25195	2.4
593.26276	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	592.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50454	0.3
55.36660	0.3
59.01380	20.3
61.98821	1.6
62.01014	0.3
70.40443	0.9
71.01369	0.3
78.95905	25.3
80.96519	0.8
90.36464	0.3
91.26043	0.2
95.77125	0.3
96.96973	0.4
111.08202	0.5
111.91678	0.3
112.16495	0.3
122.98528	0.9
126.16919	0.3
128.11400	0.3
134.98544	0.3
152.99608	4.4
167.10818	0.4
168.04337	5.2
177.12810	0.5
179.01180	0.3
179.14421	1.1
181.12288	0.4
182.32234	0.3
195.13911	9.9
196.14557	1.0
205.12350	1.0
211.13388	0.4
223.13382	6.7
224.06924	9.7
228.13548	0.7
231.21118	0.3
239.58223	0.3
242.07983	2.7
249.22348	0.3
256.13168	1.2
263.98651	0.3
265.21811	0.6
275.20090	4.5
293.21231	41.6
294.21661	2.0
307.22769	0.6
316.75037	0.3
431.18436	0.4
447.21539	2.2
448.21249	0.4
449.21957	0.7
518.28864	100.0
519.29272	6.5
532.30646	0.8
593.26685	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
61.98829	100.0
66.66291	0.3
68.33477	0.3
71.55628	0.4
78.52330	0.3
78.95910	0.5
79.83356	0.3
80.96528	0.9
121.02972	0.5
150.17152	0.3
190.77422	0.3
293.21408	0.7
294.21558	0.5
315.88095	0.4
375.54727	0.3
593.26630	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02959	0.3
59.01383	1.2
61.77615	0.3
61.98828	100.0
71.01381	1.1
71.55766	0.4
71.97486	0.3
78.98592	0.5
79.95744	0.9
80.96513	6.4
85.02998	0.5
87.68422	0.3
94.98098	0.9
101.02471	0.7
113.02454	0.6
121.02946	0.5
128.87567	0.3
134.97569	0.6
139.00403	0.4
148.99152	1.0
151.00346	0.4
152.98639	0.8
164.98647	1.4
195.13905	0.7
196.14418	0.4
209.04565	0.6
225.00829	2.1
253.09242	1.9
254.09689	0.8
278.22220	0.6
293.21436	0.8
294.21597	0.4
295.22751	3.2
296.23141	6.0
412.04865	0.3
499.51700	0.3
563.65802	0.3
592.25537	0.6
593.26288	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	592.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21497	0.2
54.89521	0.2
59.58247	0.1
60.21000	0.2
61.98829	100.0
69.90154	1.0
71.01390	0.6
75.41463	0.1
78.98600	0.7
79.95737	3.5
80.96516	6.7
85.02979	0.2
87.00870	0.2
94.98093	1.5
97.02935	0.3
101.02425	0.2
106.98097	0.2
122.97591	0.3
125.02445	0.3
134.97568	0.5
148.99158	0.6
152.98643	0.9
161.29842	0.2
163.21645	0.2
164.98628	1.3
186.14052	0.2
206.99734	0.4
225.00722	1.7
241.00188	0.2
267.43842	0.2
293.21350	0.3
294.21808	0.3
299.04373	0.4
371.06677	0.4
385.07953	0.2
399.09723	0.2
413.11130	0.2
441.14545	0.2
455.15897	0.5
495.19165	0.4
593.26337	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	592.297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.1
61.98829	100.0
64.77841	0.1
69.17235	1.2
73.86526	0.1
127.86760	0.1
293.21222	0.2
294.21671	0.2
295.21915	0.1
401.53763	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	591.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
57.03427	2.0
58.00571	0.9
59.01377	100.0
59.65063	0.8
61.98809	0.8
67.59843	0.8
69.03462	1.1
71.01379	12.8
71.54791	1.4
73.02950	4.7
83.01392	4.6
85.02947	8.6
87.00850	0.9
89.02444	1.6
95.01371	1.6
97.02941	1.5
99.00890	1.8
101.02445	9.8
111.00877	1.5
113.02442	6.9
143.03462	1.1
143.10756	5.1
159.02899	1.1
161.04529	3.4
163.14830	1.0
164.17966	0.8
168.38506	0.9
219.75458	0.9
305.16220	1.4
343.28470	2.7
360.67618	0.9
455.99152	0.9
469.31390	1.4
487.32745	48.7
488.33008	2.4
505.33749	22.7
506.33939	1.9
531.27838	1.1
547.34644	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	591.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08093	0.8
55.01867	1.9
57.03445	1.7
59.01378	100.0
61.98823	1.2
69.03448	1.1
69.27075	6.2
71.01381	16.8
73.02944	5.1
83.01392	2.1
85.02951	9.0
87.00900	1.0
88.47538	0.7
89.01944	0.9
89.02435	5.8
95.01399	2.4
96.96026	1.2
99.00887	3.0
101.02437	10.1
111.00900	0.9
113.02447	10.8
115.00386	0.9
119.03503	2.2
119.87445	0.7
123.45883	0.8
143.03554	1.6
143.10783	2.8
159.03046	1.3
161.04526	6.0
185.00972	0.9
287.14783	0.8
309.28488	0.8
343.28738	2.1
453.30814	0.8
469.32068	1.0
487.32745	42.1
488.33145	4.1
505.33844	23.4
506.34662	1.2
531.28571	1.7
547.34869	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	590.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60359	0.2
61.98830	100.0
69.26926	1.8
80.96537	0.5
120.26858	0.2
125.89134	0.2
130.53619	0.2
146.35246	0.2
155.29720	0.3
159.40746	0.2
165.72899	0.2
239.87166	0.2
293.20764	0.2
294.21078	0.2
516.77502	0.2
529.10944	0.2
535.10590	0.2
591.24866	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.261
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
51.12052	0.5
70.35759	0.8
76.21492	0.5
102.29696	0.4
106.06579	0.8
157.20111	0.4
205.67155	0.4
269.57819	0.5
279.79758	0.5
317.53848	0.5
396.17624	0.5
418.22437	0.4
429.21097	0.6
443.22443	1.8
444.19336	1.0
445.19843	1.3
455.22488	1.4
456.22733	0.6
459.21707	2.6
462.20660	0.5
471.25485	2.7
472.22446	1.6
473.23581	1.3
482.21143	1.7
485.19833	1.7
487.25739	3.4
497.23419	3.2
498.23212	0.6
499.21423	3.1
500.22150	10.7
501.22415	1.1
504.21652	0.7
513.23541	0.8
514.23462	0.5
515.24512	100.0
516.17548	0.7
516.24841	9.2
547.27228	0.7
559.23450	5.5
591.26324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87980	3.9
59.01374	33.3
61.98830	21.7
70.50753	10.4
71.01382	16.6
73.02969	4.5
75.00897	3.9
78.95909	5.8
80.96519	12.6
83.01369	5.1
84.72342	3.4
89.02451	11.5
101.02421	12.3
113.02456	7.2
144.48705	3.5
151.95097	3.8
161.04547	6.4
163.11241	5.0
165.12817	4.7
169.52396	3.5
171.10326	8.0
173.22554	4.4
191.14482	5.1
209.11801	13.9
235.16988	38.2
237.14915	5.6
245.19080	11.5
253.09311	78.3
268.45422	4.0
275.20172	63.2
289.15100	5.9
289.18118	62.5
290.18451	5.8
293.21265	100.0
294.21487	5.0
307.19208	60.0
308.19452	8.5
476.54276	4.9
566.03577	4.2
589.23187	12.5
590.35199	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	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
59.01380	18.5
61.98827	3.6
70.59613	1.7
70.59944	2.0
71.01389	3.8
73.02951	1.4
78.95957	1.0
89.02453	3.7
93.30212	0.8
96.95994	1.5
101.02451	2.8
107.63554	1.0
113.02456	1.7
113.09700	4.2
119.03517	1.2
157.86324	1.1
161.04543	2.3
183.13931	3.3
195.13905	2.0
221.15324	1.0
223.13464	1.5
235.08102	1.5
235.16972	8.7
249.22351	1.0
253.09277	22.1
275.20120	13.8
293.21213	100.0
294.21555	3.8
349.10681	0.9
464.53946	1.0
505.71591	1.1
529.29834	1.2
606.65387	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	1.0
63.32555	0.4
72.90095	0.5
72.99304	1.0
75.00874	100.0
76.01212	0.7
91.03165	0.5
96.95985	0.5
98.19913	0.9
108.19967	0.5
157.08760	0.8
277.21246	0.7
380.56696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45548	0.3
57.03445	1.9
58.78965	0.3
59.01381	11.5
61.98836	1.5
69.24668	2.7
70.56930	0.3
71.01378	3.7
73.02922	0.7
74.37978	0.3
78.95894	0.6
85.02950	0.6
87.00871	0.4
89.02439	2.0
95.01384	0.3
96.96004	0.8
97.02970	0.3
97.06577	0.6
98.20691	0.7
100.27013	0.3
101.02441	3.4
109.06574	0.3
113.02430	1.4
113.09727	9.0
114.10091	0.4
115.62126	0.3
119.03506	0.6
121.10201	0.9
125.09763	0.4
133.02931	1.1
139.11264	0.8
149.09769	0.5
151.85194	0.3
161.04514	1.3
167.10730	1.4
171.10310	3.1
177.01910	0.8
177.12930	0.5
178.02646	0.4
179.05582	0.6
179.10780	1.0
183.13928	0.3
195.13876	1.7
195.17598	0.4
211.13376	0.7
227.12686	0.3
231.21161	0.3
231.37163	0.3
235.08226	0.8
238.85750	0.3
249.22200	1.1
253.09274	15.1
267.26691	0.3
275.20135	3.5
283.02380	0.6
293.21219	100.0
294.21555	4.5
298.04608	0.5
462.53564	0.3
529.30200	5.1
530.30951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06838	0.2
57.60557	0.2
61.98846	0.2
71.75407	0.2
72.99313	1.3
75.00874	100.0
76.01219	0.6
107.74171	0.2
171.53377	0.2
186.08269	0.2
198.32709	0.2
234.52751	0.2
277.21716	0.3
358.88379	0.2
453.23416	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
58.00606	1.4
59.01377	100.0
61.98825	1.4
69.03477	1.7
69.64310	2.0
69.64722	3.6
71.01378	35.5
72.99319	1.4
73.02946	35.1
73.03358	1.8
75.00889	1.3
79.95758	1.0
80.96515	1.9
83.01388	10.4
84.98127	0.8
85.02950	5.4
85.06590	3.7
87.00854	1.3
89.02443	14.9
93.03465	1.2
94.18611	0.8
95.01376	2.4
96.96004	6.7
97.02962	1.7
99.00885	10.1
101.02439	38.8
101.61211	1.0
105.12615	1.0
109.54111	0.9
111.08140	5.4
113.02438	20.6
113.06073	4.2
115.00338	1.8
119.03500	6.3
125.02464	1.2
129.09218	1.2
131.03505	4.8
131.07137	26.8
133.01387	1.4
134.03725	0.8
137.02469	1.6
143.03500	5.5
149.04550	15.3
161.04553	19.9
173.08173	18.3
174.08456	0.9
175.14934	1.7
179.03506	1.1
179.05626	3.4
189.41051	0.9
191.05600	4.4
195.06660	1.2
201.11360	3.5
203.05598	2.2
206.22610	0.9
215.20332	1.1
221.06685	8.8
233.06610	2.1
233.15437	8.7
245.15398	1.7
287.16367	1.6
357.10074	1.7
358.27307	0.9
362.20065	0.9
391.26950	2.8
393.18140	1.1
395.20663	3.7
415.16174	13.8
455.22842	9.7
545.26044	2.2
546.13300	1.1
589.22028	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47691	0.9
56.04785	1.1
57.03437	1.0
59.01376	14.5
61.98818	2.2
71.01390	4.3
71.47185	1.9
89.02436	2.4
93.64047	1.1
96.96020	2.7
97.31839	0.9
101.02446	2.9
111.08170	2.1
113.02453	2.6
121.10233	5.3
121.85539	1.0
123.08141	1.1
125.09717	5.2
133.01454	1.4
185.11803	7.1
197.11806	2.8
211.13448	2.1
247.20755	1.6
253.09267	15.4
263.20126	2.3
273.18723	2.9
291.19647	100.0
292.19974	4.9
298.07565	1.2
309.20782	1.8
353.30045	1.0
380.53903	1.2
527.28558	12.9
587.30438	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	587.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97301	0.4
56.02213	0.4
56.76696	0.3
57.03449	0.4
59.01380	11.2
61.98839	0.7
65.74023	0.4
67.86324	0.4
71.01380	3.9
71.54982	0.5
73.02935	0.5
78.95920	1.3
85.02958	0.7
87.00826	0.5
89.02448	2.9
96.96018	1.3
98.37518	0.4
101.02447	3.7
108.74296	0.4
109.06560	0.4
113.02455	1.9
114.05084	0.4
114.41949	0.4
115.00339	0.4
119.03525	0.9
148.08955	0.5
151.11270	0.5
152.99573	0.7
161.04515	1.8
165.12842	11.1
171.10281	3.8
175.11362	0.5
177.12790	0.6
179.05602	0.5
179.14328	0.3
197.11792	1.1
209.11795	0.5
225.11446	0.4
235.08185	0.6
247.20692	7.1
253.09282	17.9
273.18637	3.9
291.19647	100.0
292.20038	3.8
399.14218	0.9
527.28369	0.7
569.23669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10581	0.6
70.82426	0.6
70.82752	1.1
76.52217	0.5
78.95899	39.0
96.96943	4.0
97.15008	0.6
97.96276	0.6
116.07253	0.6
136.23738	0.6
150.97859	0.7
152.99579	43.7
171.00636	18.4
172.97511	0.7
172.99435	0.8
183.06760	0.6
228.18150	0.6
244.90312	0.6
245.04295	100.0
246.04716	2.2
436.58530	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65572	0.9
57.03444	2.0
58.00578	1.9
59.01382	6.6
59.81827	0.9
61.98826	9.7
69.03465	1.0
69.17771	9.5
71.01376	3.5
73.02927	2.3
75.00868	1.1
77.95686	0.8
78.95907	1.0
85.02930	1.8
87.04515	1.1
89.02426	2.2
96.96011	4.9
97.06555	1.4
98.20678	1.5
101.02460	2.1
102.05592	1.6
113.02422	1.9
115.00341	2.0
123.08099	0.9
125.02451	1.1
125.09733	7.9
127.09534	0.8
127.11282	1.5
128.03505	4.9
130.08765	1.3
133.01411	3.2
133.02916	1.1
134.03746	0.9
135.04521	1.3
139.07649	2.0
141.09149	1.2
146.04582	1.8
150.03220	3.1
152.99542	1.9
153.09239	1.1
155.10747	2.0
157.08693	3.6
165.05627	1.4
168.07855	1.1
171.10283	6.7
177.01837	1.1
183.10216	1.9
195.06612	4.1
199.09680	1.2
201.11316	100.0
202.11696	1.6
203.96027	1.1
215.12906	1.5
221.05467	0.9
225.05699	1.1
241.08571	1.2
242.85663	0.9
243.12297	1.5
269.04453	1.9
278.51923	1.0
280.12540	0.9
371.24326	37.7
371.29059	1.8
372.24573	1.8
387.23993	6.6
388.24368	1.3
389.25436	98.5
390.25833	4.8
399.14359	1.3
413.24390	1.6
414.24417	2.1
460.87000	0.9
471.12350	0.9
517.55402	1.2
543.28516	3.9
569.20026	1.2
587.28546	40.7
588.28595	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	586.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.3
60.51757	0.1
61.98827	100.0
63.77805	0.1
69.20943	0.9
69.21358	0.5
71.01393	0.3
72.28676	0.1
96.96001	0.9
119.78606	0.1
123.00874	0.1
133.01456	0.2
151.84000	0.1
155.10753	0.4
199.09700	1.0
361.14938	0.7
586.20563	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99250	0.3
57.03423	0.8
59.01377	3.4
59.14324	0.3
61.98820	1.7
63.93975	0.3
69.03432	0.5
70.86089	0.4
70.86445	0.7
71.01383	1.2
72.99297	0.4
78.95901	20.1
83.01456	0.4
83.05064	0.5
89.02458	0.4
96.96020	2.0
99.08164	1.5
111.08116	0.5
113.09771	1.9
115.00394	0.6
116.92867	0.5
122.98447	0.4
127.07630	0.4
129.09206	3.7
133.01434	0.5
139.11284	0.4
141.09085	0.4
151.11295	0.5
152.99568	3.1
153.12851	0.8
167.10748	0.5
167.14366	0.4
168.04283	4.1
169.12346	2.4
171.10315	1.6
181.12329	3.3
183.13870	1.5
193.12300	1.1
195.13802	0.5
197.11821	9.6
199.13388	3.8
211.13379	11.1
212.13739	0.5
224.06909	8.1
227.12985	0.6
242.07988	3.0
255.02946	0.8
256.03152	0.4
275.20139	1.0
284.02853	0.5
293.21231	9.4
294.21634	0.7
311.22269	25.5
312.19278	0.4
312.22623	1.4
330.11197	0.4
350.23376	0.7
489.09814	1.5
536.29913	100.0
537.30194	7.8
543.32001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74110	0.3
57.03430	1.0
59.01377	2.8
61.98826	2.1
66.94491	0.3
67.49098	0.3
69.95992	1.7
71.01373	0.9
73.02950	0.4
78.95901	21.4
83.05004	0.8
91.31408	0.3
92.95669	0.4
96.96035	1.8
96.96989	0.4
99.08144	1.5
101.02460	0.4
106.38905	0.4
111.08171	0.8
113.09721	2.2
123.08189	0.5
129.09221	3.9
136.07803	0.4
151.11314	0.7
152.99591	3.2
153.12907	0.9
155.10748	0.6
163.11224	0.4
167.10840	0.6
168.04298	4.8
169.12291	2.2
171.10248	1.3
179.10829	0.4
181.12346	3.1
183.13893	1.9
193.12386	1.1
197.11821	8.9
199.13390	4.1
211.13377	11.3
217.71425	0.3
224.04869	0.6
224.06912	8.6
227.12967	0.3
242.08011	2.7
249.22263	0.7
253.09206	0.7
255.02972	1.0
256.03250	0.9
265.21716	0.7
275.20325	0.9
283.02451	0.4
284.02795	0.8
293.21204	8.7
311.22275	26.7
312.22610	1.0
332.22714	0.4
350.23254	1.2
488.09711	0.5
489.10114	1.8
495.16107	0.4
521.56683	0.4
536.29907	100.0
537.30206	6.3
543.31781	0.5
602.28851	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
58.00603	0.5
59.01104	0.9
59.01378	8.8
60.83448	0.5
61.98822	1.0
69.03467	0.9
71.01381	6.3
71.05036	0.5
71.25102	1.1
73.02930	1.3
85.02946	1.6
87.00883	1.6
89.02442	4.8
95.01406	0.5
95.04984	0.7
96.95988	3.8
97.02938	0.9
97.06597	7.8
97.39501	0.6
101.02437	4.8
113.02470	2.7
119.03487	1.8
123.08157	4.1
125.02457	0.6
125.09721	68.6
126.10085	1.5
143.10780	1.0
158.48338	0.5
161.04529	0.9
165.05482	0.8
169.08716	1.7
177.48816	0.5
179.05638	0.7
187.09746	61.7
188.10117	1.5
221.06741	0.6
272.67932	0.5
279.12405	0.6
289.35019	0.6
393.09073	0.5
415.14716	1.0
549.25421	3.9
585.23962	100.0
586.24316	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	585.291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.9
59.01386	13.5
61.98808	4.2
65.40144	1.4
71.01380	21.2
71.55820	2.7
72.02162	3.6
73.02940	6.5
77.42649	1.4
85.02965	2.9
87.04510	14.3
95.05029	2.0
95.21381	1.5
96.96006	5.5
97.06573	1.5
99.04490	3.1
101.02435	1.6
108.02195	1.5
111.08115	2.1
113.81875	1.7
115.00322	2.6
117.46667	1.5
123.04493	8.3
133.01440	1.9
137.09723	5.4
155.10782	22.3
187.07623	1.8
209.11942	2.3
209.33067	1.5
223.13171	1.6
246.76337	1.7
247.96040	1.3
275.23621	2.3
284.72650	1.9
289.17734	2.1
337.23831	100.0
338.24115	4.8
361.23712	10.1
425.23495	2.8
469.21945	1.7
502.85916	1.6
541.30463	3.0
585.34192	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	586.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
59.47850	0.1
61.98827	100.0
62.98526	0.1
69.57813	0.8
71.01389	0.3
80.14301	0.1
88.98822	0.1
89.02424	0.1
96.96017	0.7
99.31879	0.1
119.03518	0.1
134.19687	0.1
155.10841	0.3
199.09711	1.0
246.49080	0.1
361.15173	0.5
586.21802	0.5
610.22961	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	585.2319
Annotation	Lancifodilactone J
Peak:m/z	Relative Intensity
55.33325	1.2
59.01365	4.8
61.98821	3.2
68.85950	1.3
69.46871	9.1
71.01358	3.5
76.51874	1.4
80.52083	1.5
89.02441	3.6
96.95387	1.7
96.96007	25.9
98.19858	2.7
101.02448	2.3
119.03532	2.7
165.05504	1.6
179.05663	2.1
250.94051	1.5
309.41238	1.4
315.23703	1.4
316.15976	1.3
387.16617	3.9
468.73734	1.7
549.25592	24.2
550.26373	1.7
553.05939	1.3
585.23151	100.0
586.23456	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	585.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
57.03451	23.8
57.42733	0.7
59.01379	48.3
61.98531	1.1
61.98827	14.6
69.03439	0.7
69.42122	1.4
69.42537	3.6
71.01382	6.8
72.99264	0.9
73.02941	1.7
76.94792	0.6
81.03465	1.5
83.01386	2.9
83.05043	0.8
85.02950	2.4
87.00857	0.9
88.98799	1.2
89.02429	4.2
95.01390	0.9
95.05021	1.8
96.96011	3.6
97.02962	4.2
97.06631	0.9
98.20715	1.1
99.04520	17.4
101.02455	7.5
107.05037	2.2
109.02945	2.6
109.06586	3.5
111.04524	3.7
113.02467	3.4
121.02934	1.7
121.06596	3.0
122.03720	6.0
123.04565	3.3
124.05317	10.6
125.02439	8.4
125.06110	4.1
133.06609	5.0
134.03780	6.0
135.04536	2.8
135.08163	0.9
137.02408	1.1
137.06081	6.9
139.07654	86.8
140.08011	2.0
143.03471	1.0
147.08148	2.5
149.02505	0.9
149.06062	4.6
150.03215	1.7
151.03998	4.5
151.07695	1.3
153.05548	1.2
155.03470	0.9
161.04567	9.9
163.07588	1.3
163.11349	1.3
165.05551	1.3
168.07910	16.6
169.08699	9.2
171.08151	1.0
175.11334	0.7
177.12819	0.9
178.02681	2.6
179.05724	1.0
181.08653	2.4
187.11259	11.1
189.05602	1.7
189.09152	1.0
190.10007	1.0
193.05058	8.7
205.12340	21.2
206.12697	0.8
207.06586	0.6
211.09669	3.4
214.09911	0.7
217.12315	1.6
221.11829	1.0
229.12300	2.3
231.10272	2.1
235.13414	4.4
235.59975	0.8
238.24661	0.7
249.11296	5.6
251.12901	0.8
253.10764	0.9
261.11276	2.7
273.11386	3.5
279.12357	100.0
280.12659	4.2
285.11206	1.0
291.12460	1.8
303.12402	5.7
321.13431	12.6
323.09656	1.0
351.14807	0.8
353.59781	1.1
361.16422	2.0
363.14371	0.9
381.15527	1.1
387.23792	3.9
423.16583	51.8
424.16965	2.9
441.17563	2.7
465.17633	0.8
567.18451	1.0
585.21753	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	584.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82061	0.1
59.01373	0.4
61.98827	100.0
62.17130	0.1
62.99900	0.1
69.03159	0.1
69.22980	1.2
70.44923	0.1
71.01363	0.2
85.02940	0.1
89.02444	0.2
96.95995	0.8
107.01380	0.2
125.02445	0.1
131.60730	0.1
150.03229	0.1
151.00378	0.3
152.87703	0.1
165.05563	0.2
195.06607	0.1
211.07639	0.1
229.08701	0.2
234.57764	0.2
255.06543	0.2
329.31705	0.1
363.08502	0.1
381.09692	0.7
415.64093	0.1
427.22375	0.1
505.67395	0.1
524.35181	0.5
584.08356	0.2
585.15759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1609
Annotation	Phyllanthostatin A
Peak:m/z	Relative Intensity
57.03451	1.8
59.01379	11.6
61.98827	35.4
63.01688	0.5
63.01966	0.8
63.02405	1.8
64.36707	0.5
65.00319	10.8
69.03448	3.0
71.01368	4.3
72.99316	0.9
73.02962	1.1
75.00887	0.7
78.95907	0.5
81.03500	0.8
83.01382	7.2
85.02973	1.6
87.98745	0.5
88.98854	0.5
89.02459	0.8
93.03498	0.5
96.96008	6.5
97.02972	2.1
98.95612	1.3
99.00889	1.2
101.02468	1.8
106.54276	0.5
107.01386	14.1
108.02206	0.5
109.03084	0.5
111.00928	0.7
113.02470	1.4
115.00389	1.1
116.92873	1.0
121.02959	1.0
123.04533	3.9
124.01666	3.1
125.02440	12.9
133.01451	1.6
134.03755	1.1
135.04527	0.5
137.02451	0.6
149.02448	1.3
151.00368	40.3
152.01115	1.1
155.10762	1.0
161.02444	1.1
165.01956	1.9
167.03494	6.4
172.05334	1.8
173.06096	1.3
175.00426	2.3
175.03999	0.5
177.01997	0.5
185.00911	2.6
185.06093	2.7
186.06848	5.4
187.07672	0.5
191.03496	0.5
193.01424	1.0
196.05255	2.2
197.05983	0.7
198.03178	0.9
199.07724	0.5
199.09705	1.1
200.04883	1.3
200.08356	0.7
201.09196	9.7
211.07668	5.7
212.04796	1.3
213.05588	1.8
215.07072	0.6
224.04776	1.2
224.08295	0.5
225.05533	0.5
225.09276	0.7
226.02740	1.5
227.03461	0.5
227.07123	1.3
227.10793	1.1
229.08679	10.8
233.06033	0.6
237.05434	0.8
238.06261	1.6
239.07199	0.5
240.04294	2.4
248.04735	0.8
250.06422	0.6
251.07159	1.5
252.07869	1.6
253.08783	2.5
255.06595	9.7
261.05603	1.2
263.06995	0.6
264.04440	0.7
264.07816	0.7
265.04950	0.6
266.05798	2.8
276.07925	0.8
277.05344	0.7
277.08636	2.7
279.06589	5.8
283.02603	0.7
289.08566	0.5
290.05701	0.7
292.07449	0.6
293.08249	1.3
295.06558	0.8
295.09467	2.5
305.04565	1.9
305.08188	1.2
306.05252	1.4
306.08725	0.8
307.02591	0.8
307.06049	1.0
308.03207	4.8
309.04050	10.7
309.07397	0.8
317.08221	0.6
319.06152	0.9
319.09735	1.1
321.07617	0.9
322.04749	0.6
323.05478	1.9
333.03995	0.7
333.07742	0.9
334.04791	1.1
334.08353	2.1
335.05536	0.6
335.09158	1.5
336.06390	1.1
337.07181	8.9
337.10880	1.0
338.07611	0.9
345.07474	0.8
352.05692	0.6
352.09723	0.5
362.07928	2.8
363.08673	14.8
364.08948	0.9
379.11951	3.1
380.08929	2.7
381.09760	100.0
382.10098	5.3
387.08459	0.7
387.23901	0.9
405.09808	0.7
421.12827	0.5
423.10809	7.8
424.11124	0.5
441.11823	4.0
441.29602	0.5
465.12250	0.6
469.14996	1.7
483.12909	6.8
524.34875	0.9
525.13647	2.3
549.29932	1.1
567.14966	12.5
568.15179	0.5
585.16034	87.0
586.16455	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	583.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	13.9
61.98846	8.4
69.22097	76.3
71.01377	29.1
74.72906	7.3
75.55207	7.7
83.01331	7.9
96.95999	34.0
129.17502	8.5
135.04498	13.9
137.84081	7.4
142.05269	7.6
182.19870	7.7
203.41930	7.7
253.09155	17.5
262.97604	8.2
304.60831	8.7
311.22278	68.4
374.99118	8.5
467.20984	20.1
583.28851	100.0
584.29193	9.9
591.07526	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
66.38814	1.3
71.43846	2.0
92.65092	1.3
136.60452	1.3
171.41949	1.3
186.24359	1.4
253.21721	100.0
254.21988	3.9
268.32904	1.4
323.58463	1.4
396.34668	1.4
516.21973	1.4
583.31958	2.0
583.41266	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	583.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.1
59.73283	0.7
61.98827	5.1
69.03456	5.9
69.56176	4.2
71.01385	3.4
73.02938	8.9
73.63865	0.7
75.00883	1.6
79.01917	1.6
85.02937	3.6
85.06638	0.9
87.04534	1.4
89.02444	0.9
95.01391	3.4
96.96012	8.3
97.02947	78.8
97.06606	2.1
101.02454	1.7
113.02465	1.3
115.00369	1.4
121.06587	0.7
123.00874	8.1
123.08177	4.1
125.09749	0.8
133.01408	0.9
135.08173	1.8
136.01640	1.6
137.09743	2.3
141.01947	3.8
141.09213	39.1
145.37564	0.7
146.03767	0.8
153.09204	18.8
155.10768	30.3
166.99835	2.0
171.10258	34.5
172.10580	1.3
185.00923	1.8
185.08130	6.7
191.01984	0.9
197.08147	8.4
199.09753	32.3
215.09222	100.0
216.09521	2.1
241.56523	0.7
339.10846	1.8
383.09824	2.1
385.11597	1.2
583.20264	32.2
584.20599	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	583.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01456	0.5
55.29608	0.5
59.01379	7.2
61.98827	15.1
69.03454	7.0
71.01379	2.7
73.02945	4.9
76.61432	0.6
78.98126	0.5
79.01891	1.5
79.95727	0.8
85.02956	4.1
87.00863	0.6
88.98791	0.6
95.01389	3.0
96.96008	14.2
97.02949	71.7
98.03280	0.7
99.00880	0.9
101.02442	1.7
107.73808	0.5
109.06594	0.7
113.02428	0.8
115.00372	1.4
120.67892	0.5
123.00883	4.7
123.08144	1.9
127.07654	10.1
127.98120	0.5
133.01453	1.0
135.04521	1.1
135.08173	1.7
136.01692	1.0
137.02361	0.8
137.09712	5.6
139.11288	2.4
141.01907	2.0
141.09213	11.8
150.03191	0.5
153.09203	6.1
153.10379	0.8
155.10777	87.3
156.11086	1.8
166.99881	1.8
171.06654	10.2
171.10268	12.7
181.12340	1.3
183.10248	2.0
185.00961	3.5
185.08170	2.6
197.08179	2.0
199.09753	100.0
200.08437	0.6
200.10088	2.5
215.09232	33.7
216.09509	0.6
225.11298	0.7
229.50792	0.5
243.12367	7.9
285.79611	0.5
329.14432	0.5
339.07248	0.8
339.10809	0.7
343.52231	0.5
367.10251	2.5
423.14420	0.8
429.13953	1.5
435.16888	0.6
468.62100	0.5
507.51068	0.6
523.34686	1.5
539.21478	0.5
540.77515	0.5
583.20740	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	582.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42772	1.9
59.01378	22.0
61.98830	6.8
65.77517	1.8
71.01383	5.1
71.54901	2.1
78.65493	1.9
78.95908	30.6
79.86868	2.0
79.95739	4.7
80.96519	25.1
94.98064	4.8
96.95999	18.5
115.92098	4.0
134.97585	3.4
152.98528	2.7
152.99567	6.1
164.98604	3.0
168.04297	4.0
179.89156	2.0
180.90005	2.1
196.89413	3.4
224.06862	5.5
225.00648	3.3
226.00970	3.0
238.15398	2.6
256.23694	2.9
283.26419	100.0
284.26746	5.8
354.07828	2.1
411.55927	2.3
508.34058	76.4
509.34552	4.4
582.30316	46.6
582.39441	3.7
583.19757	11.3
583.30139	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	581.2732
Annotation	Quivisianthone
Peak:m/z	Relative Intensity
56.83758	11.3
59.01383	24.7
59.11370	11.8
60.78185	10.3
61.98820	48.0
71.01382	19.1
71.56326	16.6
72.62939	11.7
73.26040	10.2
81.73586	10.7
85.55684	12.9
96.95998	50.8
98.64460	12.3
108.99746	11.9
144.71115	11.0
291.19601	20.6
309.20749	36.2
581.27209	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	581.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
61.01806	0.2
61.98829	100.0
71.55294	0.2
77.32551	0.1
78.95905	1.4
80.96365	0.1
82.96107	0.2
152.99564	0.3
165.93092	0.1
194.14194	0.1
195.94742	0.1
224.06941	0.2
225.07237	0.1
248.53491	0.1
279.23276	1.8
280.23599	1.9
280.42514	0.1
281.23880	0.9
282.24170	0.8
386.00986	0.1
504.30911	1.4
505.31607	0.6
506.31799	0.6
507.31772	2.4
581.27875	0.5
582.33112	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	581.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.0
61.98830	100.0
73.12550	0.2
78.95908	2.0
82.96100	0.5
86.71752	0.2
88.17937	0.2
96.96976	0.4
102.95634	0.2
122.23102	0.2
142.59070	0.2
152.99609	2.1
153.80678	0.2
162.99107	0.2
165.66512	0.2
180.17091	0.2
205.20441	0.2
216.67352	0.3
241.01180	1.0
264.23407	0.2
265.21667	2.0
279.23233	2.7
280.23615	2.8
281.23914	2.3
282.24231	1.1
504.31265	1.2
505.31195	0.4
506.31747	0.5
507.31873	1.9
517.35883	0.3
553.67462	0.3
581.26837	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	581.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84169	0.6
59.16127	0.6
61.98816	2.2
71.54739	0.7
72.62280	0.7
122.74477	0.7
182.55405	0.6
226.77007	0.6
279.23276	100.0
280.23569	3.6
291.50116	0.6
339.62009	0.7
397.09659	1.0
401.98410	0.7
458.54150	0.7
503.30591	0.6
525.66693	0.6
527.18396	1.1
581.45532	55.2
582.45685	4.7
588.17456	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55819	2.5
56.77094	2.6
57.03442	6.2
58.00595	3.1
59.01379	100.0
60.01708	2.6
61.98834	43.5
71.01380	77.3
71.56329	4.6
72.01699	4.5
72.99308	8.2
73.02940	6.8
83.01402	3.8
84.95124	7.5
85.02949	35.9
87.00877	5.2
89.02438	74.9
95.01417	3.6
96.96002	21.2
97.02979	3.6
98.95592	6.1
101.02431	37.0
113.02449	28.8
116.92852	4.8
119.03492	28.1
121.70750	3.3
129.01926	3.2
131.03455	4.9
143.03474	8.0
147.02980	4.1
149.04568	5.7
152.00298	3.0
161.04543	8.6
179.05603	21.0
179.06961	3.1
191.02029	14.3
191.05582	6.0
209.02844	4.4
223.80424	3.0
283.09915	14.7
283.12439	2.8
311.06125	4.3
311.09247	40.3
325.11066	3.5
326.11557	22.3
341.13910	44.1
521.33228	38.4
539.33246	3.6
545.33344	19.8
580.30530	5.4
581.13861	3.9
581.30878	29.8
602.36090	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	581.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57256	0.4
56.79163	0.4
59.01379	100.0
61.19594	0.4
61.98818	1.2
69.02413	0.4
71.01389	1.5
71.55602	0.5
75.00869	0.5
85.02952	2.2
89.02464	1.0
93.57372	0.4
96.96031	1.4
97.03003	0.5
101.02468	0.8
110.96241	0.5
115.00437	0.4
118.06950	0.4
121.02984	1.2
133.01463	1.0
147.04510	0.5
149.02409	3.1
150.03226	3.6
151.04015	1.6
161.04617	0.8
164.04834	1.9
165.05588	2.8
167.03584	0.5
179.07187	0.5
181.05118	0.9
191.01971	1.0
193.01472	0.7
195.06595	1.2
195.47928	0.5
208.03848	1.3
223.06102	2.7
255.10321	1.0
269.08163	7.1
281.08118	0.6
283.09897	2.0
296.10300	0.6
299.09262	4.1
311.09244	7.1
313.11102	0.4
314.11594	11.1
325.10895	1.6
326.11523	7.0
329.13922	41.5
330.14389	2.7
341.13919	26.4
342.14386	1.3
359.15152	1.3
372.55188	0.5
383.49182	0.4
389.16449	0.7
419.13464	3.5
449.14822	0.6
540.97717	0.5
581.19092	2.2
581.29779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74853	1.3
57.03421	1.9
59.01379	28.8
61.98833	7.2
62.34138	1.2
63.66959	1.3
69.92019	3.5
69.92416	2.7
71.01378	13.3
72.99273	1.7
73.02940	5.8
74.54771	1.3
80.96507	1.4
83.01408	3.6
85.02949	10.6
85.25981	1.1
87.00876	4.5
89.02443	4.0
91.71793	1.5
93.03471	4.8
95.01405	1.5
96.95995	5.2
97.06601	1.7
99.00851	2.1
100.08175	1.2
100.97697	1.6
101.02429	8.0
111.00923	2.0
113.02428	5.5
116.92842	1.8
121.02953	23.2
122.03743	10.8
123.04505	9.5
132.02162	1.5
133.01437	2.0
133.02948	8.7
133.06662	1.6
134.03746	3.1
135.04510	5.2
136.01657	3.6
137.02448	3.1
147.04469	3.6
149.02426	86.3
149.05998	2.7
150.03217	86.3
150.56326	1.5
151.04002	26.3
152.01117	8.3
161.02467	1.8
162.03171	2.1
163.04005	9.2
164.04784	50.0
165.01930	12.5
165.05556	89.2
166.06186	4.1
169.05055	3.2
175.03990	2.0
177.05586	2.0
179.07109	11.4
180.04309	7.3
181.05043	19.6
181.08728	2.8
187.09712	3.6
190.06357	2.6
191.07089	2.2
193.01393	19.6
193.05025	2.2
195.06610	33.9
205.08784	1.9
206.05748	2.3
207.03003	2.2
207.06474	2.8
208.03754	49.7
209.04214	2.2
221.08318	1.8
222.05386	3.4
223.06091	88.7
224.06400	2.9
265.07162	11.7
285.50555	1.8
312.09872	3.0
314.11475	3.1
325.12985	7.4
327.12314	2.1
329.13947	11.4
343.13876	2.6
359.14944	1.7
371.11166	5.5
371.60135	1.7
389.16016	20.1
415.16391	1.6
419.13412	100.0
420.13889	5.1
429.25177	1.5
461.14468	5.2
473.18100	43.0
474.18530	3.4
491.19147	18.5
521.20184	5.7
533.20117	16.1
539.21320	6.2
581.18481	34.6
598.21039	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	580.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	21.0
61.98830	3.1
65.37080	0.3
69.90856	1.5
71.01374	1.0
78.95901	28.2
78.98574	0.7
79.95737	1.6
80.96079	0.7
80.96517	8.8
94.98090	2.6
96.96007	9.3
98.19881	0.5
98.95573	0.7
99.92564	0.6
115.92094	2.3
116.92842	1.3
134.98509	0.5
148.99136	0.9
152.98503	0.7
152.99568	5.1
164.98607	1.1
167.30663	0.4
168.04285	2.8
171.00575	0.9
174.23863	0.5
178.88452	1.0
179.89238	2.5
180.89943	1.2
196.89461	2.4
224.06909	9.3
225.00792	1.3
235.91252	0.5
236.92612	1.5
242.07924	1.9
281.24835	100.0
282.25256	3.5
291.65405	0.5
341.18341	0.5
343.00867	0.4
438.08786	0.5
470.91107	0.5
471.11316	0.4
506.32474	74.0
507.32764	4.9
523.54077	0.5
580.28754	15.1
581.18158	5.7
581.28693	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	13.5
61.98829	4.3
62.93565	0.3
63.62668	0.2
63.99254	0.2
69.26362	2.3
71.01379	0.6
78.95900	7.4
78.98595	0.7
79.95737	1.4
80.96514	5.9
81.08997	0.3
82.96120	0.3
94.98096	1.7
96.96007	9.5
98.95601	0.7
106.98059	0.3
115.92095	0.5
116.92890	0.4
122.97626	0.3
132.47372	0.2
136.23131	0.3
148.99115	0.6
152.98524	0.4
152.99579	1.8
164.98596	0.6
168.04279	1.7
179.89140	0.4
180.90015	0.5
195.92877	0.3
196.89488	0.6
224.06912	0.6
225.00726	1.2
226.01050	0.3
236.92772	0.4
239.02666	0.3
242.07948	2.1
245.04483	0.3
281.24829	100.0
282.25195	5.1
282.28070	0.5
482.25647	0.6
506.32468	39.1
507.32880	2.8
580.28693	10.0
580.37048	0.3
581.18237	1.7
581.28583	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23085	0.3
55.01873	2.4
57.03448	2.4
57.83345	0.3
58.00598	1.6
59.01379	43.4
69.03463	0.6
69.17510	1.2
69.17938	1.5
71.01381	37.9
72.01687	0.3
72.99313	1.6
73.02947	7.5
75.00890	0.5
75.53391	0.3
83.01382	4.2
85.02951	14.6
87.00887	2.0
87.04507	0.5
89.02443	21.7
95.01402	3.3
96.95994	2.2
97.02946	0.4
98.19917	0.5
99.00881	2.8
101.02441	21.5
102.02757	0.3
111.00908	0.8
113.02451	15.0
115.03931	0.3
118.52274	0.3
119.03500	7.5
124.66537	0.3
125.02427	0.7
129.01984	1.8
129.39200	0.3
131.03532	0.7
142.45949	0.2
143.03510	1.3
149.04576	0.7
159.02966	1.4
161.04541	7.3
166.02753	0.6
179.05582	2.5
181.05032	0.5
236.02641	0.3
250.40009	0.3
253.09219	0.3
255.19490	0.3
343.21204	0.7
379.86389	0.3
417.15692	0.8
417.24915	19.6
418.25192	0.8
519.31812	3.1
537.33026	0.6
579.30182	100.0
580.30542	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	579.305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09790	0.2
59.01387	1.2
60.01692	0.3
61.98829	100.0
71.55507	0.3
73.31252	0.2
76.14270	0.2
78.95905	1.9
133.71071	0.2
152.99580	0.4
155.68715	0.3
195.00722	0.3
203.73520	0.3
224.07027	0.3
277.21756	2.1
278.22070	1.7
279.22400	1.1
280.22729	0.6
347.55219	0.3
365.27054	1.0
502.29605	0.9
503.30096	0.6
504.30356	0.9
505.30249	2.6
540.70691	0.3
561.28809	0.9
579.30597	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06250	0.3
52.56649	0.2
53.25375	0.2
55.01879	2.3
55.96676	0.2
56.55536	0.2
57.03444	2.2
58.00595	1.3
59.01379	39.6
60.01674	0.3
61.98828	0.9
62.24298	0.3
66.65329	0.3
69.03464	0.4
71.01380	36.2
71.54947	0.3
71.94887	0.3
72.01740	0.3
72.99301	2.2
73.02947	6.7
75.00869	0.7
83.01392	3.6
85.02952	12.9
87.00879	2.3
87.04494	0.5
89.02444	22.0
95.01379	2.8
96.50845	0.3
96.96021	1.9
97.02940	0.8
97.57001	0.3
99.00887	2.8
99.04454	0.2
101.02441	22.6
102.02769	0.3
111.00878	0.7
113.02450	14.5
115.00370	0.4
116.92835	0.4
119.02654	0.6
119.03500	10.3
125.02441	0.6
129.01950	1.6
131.03494	1.0
136.01631	0.4
143.03471	2.1
149.04532	0.7
151.03986	1.1
159.02922	1.3
161.04544	6.4
171.10323	0.3
171.71295	0.2
179.05605	4.6
182.05264	0.3
191.05475	0.3
193.90002	0.3
230.17876	0.3
253.09279	0.7
255.19649	0.7
285.04144	0.4
343.21362	2.1
357.13495	1.2
360.77426	0.2
379.71027	0.3
399.24014	0.4
417.24902	18.6
418.25607	0.6
519.31848	1.5
579.30151	100.0
580.16022	0.3
580.30487	6.7
600.10425	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28839	13.0
59.01363	11.4
61.98816	48.3
69.21738	95.7
71.01363	23.9
78.95924	15.2
79.95747	28.7
80.96500	31.0
96.96012	14.9
99.97199	14.3
113.09728	17.0
118.28862	10.6
121.85001	10.5
133.89882	13.0
209.11815	17.5
224.81091	11.5
253.09212	15.1
289.18048	18.0
293.21283	28.6
307.19107	61.2
325.05667	14.1
518.28790	35.5
543.27881	41.9
550.40814	13.0
579.24951	100.0
580.25574	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	579.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79437	0.4
58.89899	0.5
59.01382	3.6
59.44815	0.5
59.49876	0.4
61.98528	0.8
61.98829	8.7
63.96253	1.1
69.22633	3.6
71.01382	5.8
73.02945	1.3
78.95903	9.5
78.98585	5.0
79.95730	11.1
80.96514	59.0
81.03494	0.7
85.02963	2.9
87.00881	2.7
94.98082	12.8
95.01352	0.5
96.96008	100.0
97.02922	1.1
101.02428	1.9
106.98077	3.0
122.97585	2.4
125.02443	2.0
134.97607	4.0
136.99146	1.5
143.22423	0.4
148.99120	4.9
152.98528	4.5
152.99748	2.6
163.48589	0.4
164.68944	0.5
164.98627	11.3
171.00618	0.9
177.89734	0.7
178.08130	0.4
188.98611	0.7
194.89983	0.6
194.93800	1.2
206.99655	2.3
224.06876	0.8
225.00732	11.4
245.04265	1.9
253.21672	1.1
253.65593	0.5
279.23169	1.8
281.24838	13.5
282.99033	0.7
299.04431	1.8
343.01031	2.3
441.87778	0.5
481.25726	6.3
506.32526	12.0
579.28381	91.2
580.28693	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	579.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10611	9.7
59.01383	22.7
59.10438	9.0
61.98827	35.9
69.19799	100.0
99.15569	9.5
121.56487	9.6
127.40162	9.4
253.09175	10.2
289.18137	29.7
305.17880	10.6
307.18991	29.2
579.25323	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13441	12.1
61.98843	28.8
79.34579	12.5
101.03890	10.6
139.74490	11.8
253.09253	49.4
289.18091	80.6
307.19119	69.3
552.57269	14.5
579.25604	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	579.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	21.6
61.98809	21.4
67.03461	17.8
69.87674	50.4
69.88081	45.9
98.20591	28.2
110.81447	17.7
155.59912	19.0
160.43895	18.3
174.35533	21.2
253.09160	29.0
289.18115	55.5
296.24789	23.7
307.19037	65.9
427.56702	18.3
579.25702	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	579.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19421	100.0
74.10952	8.3
78.95898	10.8
197.66106	10.2
209.11943	13.5
245.47983	9.0
253.09151	23.8
289.18097	40.3
307.19150	47.4
579.25897	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60281	0.8
57.03435	1.2
59.01375	17.2
61.98817	3.6
65.78408	0.9
69.03431	1.1
71.01370	10.2
71.55791	0.8
73.02945	3.0
81.03423	1.0
82.95398	1.4
83.01379	2.1
83.05016	1.1
85.02959	5.7
87.00900	1.1
89.02444	3.9
95.01392	1.3
96.96016	13.6
98.21860	0.8
98.95576	1.7
99.00877	1.3
101.02452	5.8
108.02173	0.9
108.51354	0.9
109.02905	1.9
113.02435	5.2
119.03474	2.3
121.02936	3.0
123.00871	2.1
123.04482	1.0
125.02415	1.3
133.02945	1.0
134.03693	3.5
135.04483	1.9
136.01601	1.0
136.36743	1.0
137.02451	9.2
139.00386	1.3
143.03477	1.2
145.88197	0.9
146.03748	4.8
149.02455	1.3
150.03241	2.4
151.00362	17.9
151.03975	1.9
152.01091	1.7
152.04768	3.0
161.04506	2.7
161.06073	4.6
162.03215	1.2
163.03983	3.6
166.02708	58.0
167.03320	3.1
171.10213	1.6
177.01912	2.7
177.05524	2.5
179.03522	1.8
180.04170	1.6
181.05064	71.6
182.05388	1.8
190.06383	1.3
191.03473	1.8
193.05043	2.5
195.06586	6.6
207.03012	5.8
207.06725	1.7
208.03813	1.0
209.04506	2.5
223.06114	2.1
235.26208	0.9
244.23721	1.2
253.09163	2.2
285.03925	1.2
316.10001	1.2
343.21091	5.0
356.12183	1.1
357.13321	6.2
359.11264	1.1
387.10861	14.8
402.13156	7.2
417.15567	100.0
418.15796	4.1
519.24731	1.3
519.31714	9.4
537.32855	2.0
579.17084	1.4
579.29803	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24137	0.3
54.70638	0.3
55.76152	0.3
56.75767	0.3
59.01379	21.0
59.34376	0.3
59.91807	0.3
71.01374	0.7
71.32392	0.5
78.95904	20.4
78.98579	0.4
79.95724	0.7
80.96518	5.4
83.64965	0.3
91.79752	0.3
94.98095	1.1
99.21671	0.3
106.98067	0.3
124.04671	0.3
132.21115	0.3
134.97560	0.5
152.99612	3.3
164.98610	0.8
168.04315	3.4
194.05954	0.3
224.06915	8.9
225.00792	0.8
226.01033	0.4
242.08009	1.9
261.22354	0.6
279.23273	100.0
280.23645	4.5
315.36588	0.3
504.30945	74.7
505.31320	5.3
578.18445	0.6
578.27222	9.3
579.26880	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86858	0.3
59.01379	15.2
61.08260	0.2
61.26728	0.2
61.98848	0.3
71.01376	1.1
71.31549	0.5
78.95903	5.9
78.98602	0.5
79.95758	0.7
80.96516	6.7
82.96078	0.5
84.81840	0.3
91.75710	0.3
94.98096	1.1
101.02473	0.5
119.10750	0.2
122.97556	0.3
134.97556	0.4
152.98491	0.3
152.99574	1.1
164.98634	0.9
168.04280	1.4
174.86627	0.3
193.74512	0.3
197.63620	0.3
206.99716	0.3
224.06932	0.8
225.00789	1.1
226.01065	0.6
242.07996	3.1
261.22327	0.4
279.23276	100.0
280.23618	4.6
504.30957	38.0
505.31259	2.6
520.14661	0.3
578.27191	10.4
579.27142	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2084
Annotation	(+)-Syringaresinol O-beta-D-glucoside
Peak:m/z	Relative Intensity
50.78348	0.6
52.82618	0.5
57.03440	0.8
59.01100	0.9
59.01381	10.4
61.98826	1.4
69.03481	0.6
71.01382	7.2
71.54891	0.9
73.02948	1.8
74.75510	0.6
75.00883	0.6
79.95737	0.9
81.08842	0.6
83.01380	0.9
83.05010	1.0
85.02956	3.5
89.02440	3.7
93.03446	0.7
93.37200	0.6
95.01386	1.2
95.05058	0.7
96.96008	18.4
97.02962	0.6
98.95570	1.5
99.00842	0.7
101.02431	4.6
103.78862	0.6
109.02938	2.3
113.02451	3.1
115.00386	0.8
116.92902	0.5
119.03517	1.5
119.05031	0.6
121.02966	2.4
123.00896	2.6
123.04514	1.1
124.37009	0.6
125.02458	1.6
125.09718	0.6
133.01375	0.8
134.03728	1.9
135.04523	1.9
136.01634	1.2
137.02444	8.3
139.00354	0.6
146.03751	3.7
149.02446	2.7
150.03235	1.8
151.00371	15.4
151.03990	1.8
152.01118	1.0
152.04791	2.8
153.01906	1.0
161.02463	1.0
161.04549	2.2
161.06065	5.0
162.03235	1.8
163.03990	4.0
164.04852	1.1
165.01965	0.9
165.05527	0.6
166.02710	51.6
167.03503	3.4
171.10286	3.4
175.04099	0.8
177.01926	2.5
177.05563	1.4
179.03511	1.3
179.05655	1.2
179.07124	1.0
180.04272	1.7
181.05058	66.0
182.05415	1.1
184.03830	0.7
190.02779	0.8
190.06332	1.3
191.03574	1.0
192.04356	1.3
193.04997	1.8
194.05884	0.9
195.06598	7.1
205.05052	1.2
205.08618	0.8
207.02953	6.8
207.06581	1.0
208.03763	1.7
209.04582	1.3
209.08160	0.9
209.11717	1.1
211.48329	0.6
223.06148	1.1
253.09270	4.2
269.04395	1.1
270.04782	0.6
271.05270	0.8
339.12363	1.1
343.21259	8.6
357.09708	0.9
357.13434	4.8
359.11392	1.8
387.10815	14.0
388.11108	0.9
402.13196	6.1
417.15561	100.0
418.15878	5.0
519.31818	5.1
549.19659	0.7
579.16083	1.8
579.30267	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	577.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00437	0.5
59.01377	9.8
61.98828	1.7
71.01389	2.6
71.12447	1.0
71.12801	0.7
85.02989	0.6
89.02454	1.8
101.02445	1.7
112.74766	0.5
113.02386	0.9
119.03477	0.5
123.10891	0.6
124.50575	0.6
144.67442	0.5
161.04582	0.8
235.08185	1.8
248.53044	0.5
253.09267	11.4
281.24838	100.0
282.25134	5.0
434.45810	0.6
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
51.11195	0.6
59.01380	0.9
61.98831	100.0
69.11813	0.5
69.27956	3.9
71.01382	1.7
78.95905	4.9
79.95749	1.6
80.96519	7.8
82.10715	0.5
86.29411	0.5
94.98090	1.4
96.96011	38.1
122.97588	0.7
132.69786	0.5
134.97635	0.6
151.94449	0.5
152.99666	1.2
164.98668	1.6
165.35513	0.6
177.04039	0.5
178.94304	1.1
194.93825	0.7
196.10570	0.6
225.00798	1.7
245.04311	1.2
253.21770	0.8
279.23352	1.6
282.99069	0.8
343.01154	1.4
367.34088	0.6
407.61093	0.6
481.25961	2.5
578.21826	1.0
579.28302	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	577.338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.6
59.01381	25.2
61.98832	4.6
69.03455	1.5
69.26192	2.1
69.26610	4.9
71.01376	3.2
71.05015	6.0
73.02951	4.5
78.95903	1.7
83.05036	0.9
85.02962	3.5
89.02439	1.7
93.03471	0.8
95.05035	1.7
96.96031	2.8
97.02972	1.8
97.06602	2.7
101.02452	2.4
110.03294	0.7
125.90391	0.8
142.19533	0.7
145.20851	0.8
150.40840	0.9
152.99525	1.2
161.04424	0.9
163.03993	5.8
173.04521	1.3
178.06328	3.1
181.12270	1.6
183.10205	1.4
191.05553	1.6
193.08725	5.0
211.13434	0.9
225.11316	2.6
236.63593	0.7
253.09286	1.6
337.21591	0.9
341.23267	3.0
367.22748	0.9
381.64975	0.9
393.28021	1.7
403.26804	1.0
405.27805	1.6
407.29672	1.8
409.27240	1.3
417.27957	2.3
419.29926	4.8
421.27679	4.0
425.30817	3.9
426.37064	1.0
435.29047	3.5
437.30634	12.9
439.28442	2.6
449.26776	1.9
451.28384	1.4
453.30396	4.7
455.31628	100.0
456.31995	10.1
467.27951	6.0
469.29599	47.7
470.29810	2.6
473.32739	1.3
481.29312	2.3
487.30835	11.3
488.31296	1.1
499.30649	30.5
500.30954	2.7
513.28381	6.2
517.31689	60.0
518.32141	4.0
535.32703	2.8
543.29987	2.0
577.34644	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	577.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
57.03440	0.5
57.08864	0.2
58.00588	0.3
59.01377	8.5
61.98831	1.7
67.01893	0.2
69.03449	1.2
71.01379	5.5
71.54988	0.2
71.55439	0.3
72.99293	0.5
73.02942	1.3
75.00869	0.5
81.03442	0.4
83.01385	0.6
83.05022	1.2
84.02166	2.3
85.02941	2.5
87.00869	1.1
89.02441	5.1
93.03473	0.3
95.01408	0.5
95.05041	0.4
96.96001	0.7
97.02961	1.4
97.06588	7.5
99.00874	0.6
99.04534	0.9
99.92598	0.9
101.02441	6.2
111.00843	0.2
111.08189	0.3
113.02444	3.0
116.92859	7.9
116.97236	0.8
117.01942	1.0
117.05498	0.3
119.03492	1.4
125.09703	1.6
127.11287	0.5
129.01997	0.3
131.03419	0.3
133.01459	0.2
135.08195	0.3
137.09734	1.0
143.03494	0.5
145.02834	0.2
149.04503	0.3
149.13330	0.4
151.11327	0.3
153.09145	0.3
154.85558	0.2
161.04533	3.0
165.12881	0.4
171.10265	11.0
172.10590	0.3
173.04491	0.4
175.11276	0.6
177.12926	0.3
179.05609	0.8
183.13910	0.5
185.11827	0.7
191.05617	0.9
193.12331	10.2
194.12729	0.3
197.11818	0.3
197.15451	0.4
203.10718	0.3
209.11777	0.3
210.37146	0.2
211.13400	3.0
218.09846	0.2
220.40134	0.2
221.11862	1.1
221.47447	0.2
223.13347	0.4
225.14964	15.3
226.15335	0.4
230.75160	0.2
238.12254	0.2
243.16000	7.4
253.09282	29.4
253.14447	1.3
254.09612	0.6
273.18585	0.4
284.03271	0.4
285.04205	0.3
291.19733	1.3
305.21146	0.4
323.22238	0.5
341.23303	100.0
342.23636	4.4
393.77768	0.2
461.17847	0.3
533.29626	0.7
577.32635	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	577.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
57.03447	0.5
57.03714	0.2
59.01377	8.7
61.98830	1.8
67.01897	0.3
69.03456	1.7
71.01378	6.0
72.99281	0.5
73.02944	1.8
73.94537	0.2
75.00856	0.4
78.95899	0.3
83.01386	0.6
83.05015	0.7
84.02160	2.5
85.02944	2.2
87.00874	1.3
89.02448	4.9
93.03458	0.4
95.01369	0.4
95.05023	0.2
95.71722	0.2
96.95992	0.7
97.02953	0.9
97.06587	7.3
99.00867	0.8
99.04515	1.5
99.92583	0.8
101.02442	5.7
107.44463	0.3
109.06567	0.3
113.02445	2.8
116.92094	0.4
116.92864	5.8
116.93698	0.3
116.97249	0.8
117.01929	0.6
117.92845	0.3
119.03458	1.2
125.09740	1.7
127.11267	0.3
131.03444	0.3
135.08116	0.3
137.09717	1.1
143.03462	0.8
149.13345	0.3
151.11348	0.3
154.70280	0.3
155.10785	0.4
161.04553	3.0
163.06073	0.2
165.12837	0.7
170.75690	0.2
171.10266	11.7
173.04565	0.4
175.11255	0.7
179.05606	0.9
183.10216	0.3
183.13913	0.5
185.11833	0.6
191.05573	1.4
193.12326	9.5
194.12492	0.3
197.11746	0.5
197.15459	0.3
207.13910	0.3
211.13376	3.2
221.11804	0.9
223.13423	0.3
225.14955	14.6
226.15280	0.8
239.12901	0.3
243.15974	5.8
246.82634	0.3
253.09270	27.6
253.14595	0.9
254.09688	0.8
291.19574	0.8
305.21017	0.4
323.22281	0.4
341.23294	100.0
342.23672	4.7
373.16565	0.4
523.25385	0.3
533.29706	0.4
577.32251	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31851	0.6
55.01875	1.3
57.03453	1.7
58.00597	0.6
59.01378	100.0
60.01721	0.7
61.98829	19.3
62.98534	0.6
68.99570	1.0
69.03471	2.4
71.01382	15.7
71.55806	0.5
72.99344	1.5
73.02952	5.7
75.00886	2.1
83.01405	2.1
85.02949	9.3
86.00101	0.6
87.00896	0.7
89.02441	3.8
95.01408	1.7
96.96011	13.3
97.02953	1.5
97.06603	0.7
99.00912	2.1
101.02442	8.9
111.00900	0.8
112.98558	1.1
113.02448	6.1
119.03524	1.5
123.08105	0.6
125.02426	0.7
125.09731	1.0
129.01967	0.9
141.01978	0.6
155.10808	0.6
159.03043	0.9
161.04538	1.7
171.10289	2.4
183.10342	0.9
185.00899	0.6
205.03589	1.2
225.11299	5.5
242.02232	1.5
245.01088	0.9
270.01822	2.1
277.21906	0.8
278.59412	0.7
287.15021	0.7
295.22821	1.2
298.01126	1.1
327.21811	1.3
355.24948	2.4
369.12054	1.9
373.25967	6.7
396.76086	0.6
414.09845	0.8
421.25870	0.7
431.26630	0.9
439.27209	1.5
457.28357	3.0
463.22189	0.7
475.29254	1.7
487.17740	0.7
491.28665	1.0
515.28906	1.5
517.30237	1.0
533.29620	45.1
534.30267	3.3
535.31110	1.3
577.16003	5.3
577.32318	83.0
578.32739	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	577.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31851	0.6
55.01875	1.3
57.03453	1.7
58.00597	0.6
59.01378	100.0
60.01721	0.7
61.98829	19.3
62.98534	0.6
68.99570	1.0
69.03471	2.4
71.01382	15.7
71.55806	0.5
72.99344	1.5
73.02952	5.7
75.00886	2.1
83.01405	2.1
85.02949	9.3
86.00101	0.6
87.00896	0.7
89.02441	3.8
95.01408	1.7
96.96011	13.3
97.02953	1.5
97.06603	0.7
99.00912	2.1
101.02442	8.9
111.00900	0.8
112.98558	1.1
113.02448	6.1
119.03524	1.5
123.08105	0.6
125.02426	0.7
125.09731	1.0
129.01967	0.9
141.01978	0.6
155.10808	0.6
159.03043	0.9
161.04538	1.7
171.10289	2.4
183.10342	0.9
185.00899	0.6
205.03589	1.2
225.11299	5.5
242.02232	1.5
245.01088	0.9
270.01822	2.1
277.21906	0.8
278.59412	0.7
287.15021	0.7
295.22821	1.2
298.01126	1.1
327.21811	1.3
355.24948	2.4
369.12054	1.9
373.25967	6.7
396.76086	0.6
414.09845	0.8
421.25870	0.7
431.26630	0.9
439.27209	1.5
457.28357	3.0
463.22189	0.7
475.29254	1.7
487.17740	0.7
491.28665	1.0
515.28906	1.5
517.30237	1.0
533.29620	45.1
534.30267	3.3
535.31110	1.3
577.16003	5.3
577.32318	83.0
578.32739	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	577.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85608	2.3
64.10304	2.5
64.58429	2.7
70.32713	2.1
71.54484	2.2
73.61953	2.3
81.09634	2.2
96.17423	2.2
96.96015	8.3
107.67371	2.1
108.02171	52.8
108.22416	2.2
109.02953	8.0
152.01160	46.3
153.01921	23.4
163.04021	2.7
230.05702	2.3
285.06143	100.0
376.05261	2.2
504.62979	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.8
61.98830	43.5
63.57711	0.4
63.96238	1.3
69.03467	0.5
69.32636	3.2
71.01386	6.7
73.02951	1.4
78.95918	1.5
78.98595	6.3
79.95739	10.5
80.96517	62.8
81.03475	1.1
85.02949	2.7
87.00883	3.1
94.98087	14.2
95.01381	0.5
96.96031	1.0
97.02968	0.8
99.00858	0.5
101.02445	2.4
103.68270	0.4
105.15923	0.4
106.98076	2.9
109.65650	0.4
122.18809	0.4
122.97589	3.2
125.02444	2.4
127.03999	0.5
127.14112	0.4
134.97565	4.2
136.99149	0.8
139.80783	0.4
148.99138	5.6
152.98624	5.1
164.98624	12.0
167.00227	0.6
168.66484	0.4
206.99680	2.3
224.06862	0.9
225.00743	13.4
277.21704	1.4
279.23318	6.4
299.04358	2.7
314.26932	0.4
376.07306	0.4
401.57553	0.4
504.30939	6.1
515.96112	0.4
577.26849	100.0
578.27112	7.0
590.28003	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10543	0.6
56.71188	0.6
57.03444	1.1
58.00585	0.9
59.01378	33.3
61.98831	4.4
69.03452	1.7
69.59055	3.6
71.01379	31.1
72.01714	0.7
72.99293	4.4
73.02943	1.4
75.00863	0.8
75.64999	0.6
79.95724	1.1
80.96528	0.9
82.96082	0.9
83.01400	1.4
85.02943	6.7
87.00883	2.0
89.02441	12.0
93.03458	12.7
95.01363	1.0
96.95377	1.2
96.96007	23.0
97.03012	0.8
99.00875	1.6
101.02443	6.5
107.01360	0.8
109.02919	0.8
111.00853	2.7
113.02443	5.0
115.00371	56.4
119.03539	3.8
119.05019	2.3
125.02456	1.2
125.66592	0.6
131.03522	0.6
133.01425	100.0
133.06577	0.9
134.01750	1.1
135.04535	1.2
143.03502	0.9
145.06628	1.2
149.04485	0.9
149.06149	1.5
151.00346	2.0
161.04533	1.4
163.04083	0.9
169.06656	0.9
171.10223	0.8
179.05606	1.5
182.07349	3.3
187.07748	0.9
195.08115	8.6
196.08763	0.6
197.09703	25.4
198.10098	1.1
203.12840	1.3
209.11885	0.6
211.07544	1.0
211.11339	2.3
213.12859	4.8
223.07597	1.1
227.10860	1.4
239.10750	6.5
241.08746	0.8
245.11784	1.3
253.09085	1.1
257.11829	3.6
259.92102	0.7
283.09729	14.3
284.10245	0.9
301.10782	48.1
302.11115	2.6
311.20151	0.8
327.08719	2.2
345.09760	39.6
346.10019	2.3
353.23416	0.7
354.23770	1.4
355.23737	0.7
397.09122	1.5
415.23428	2.4
443.09927	2.8
461.10828	11.6
559.14447	4.7
577.12982	1.1
577.28400	11.7
578.87860	0.8
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
56.98819	0.2
59.01379	18.8
61.98806	0.3
64.93449	0.3
66.46188	0.3
69.79690	1.6
71.01373	0.4
78.95904	5.9
82.47948	0.3
87.57456	0.3
89.41640	0.3
90.46603	0.3
98.19884	0.3
116.02176	0.3
120.69995	0.3
152.99567	1.2
168.04335	1.8
221.74809	0.3
224.07010	0.7
233.22534	0.3
242.07986	3.0
259.20920	0.5
275.20230	0.5
277.21704	100.0
278.21991	3.5
502.29379	42.1
503.29797	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	576.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18596	0.2
58.28561	0.3
59.01377	26.8
61.98833	0.5
63.92522	0.2
69.52024	1.7
71.01384	0.4
78.95901	24.9
80.40744	0.2
83.05019	0.3
96.96951	0.5
122.98491	0.5
127.07659	0.3
152.99585	3.8
168.04301	4.5
224.06914	10.6
233.22769	0.7
240.22113	0.3
242.07976	2.8
259.20538	0.5
275.20078	0.5
277.21701	100.0
278.22037	4.1
502.29379	92.3
503.29681	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	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02985	0.2
54.77135	0.2
59.01381	0.3
61.98830	100.0
71.01409	0.4
71.31525	0.4
78.98589	0.3
79.95734	0.6
80.96515	4.9
84.45645	0.2
85.02942	0.4
94.98090	1.2
100.16177	0.2
122.97571	0.5
125.02458	0.3
134.97617	0.4
148.99161	0.3
152.98654	0.6
162.98782	0.2
164.98636	0.8
212.81160	0.2
225.00761	1.1
277.21844	0.9
278.22168	1.2
279.22351	0.5
280.22720	0.4
281.05722	0.2
543.34735	0.2
577.26862	8.3
601.82147	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94652	0.2
59.01373	0.3
61.98829	100.0
70.47286	0.2
71.01389	0.6
71.31944	0.2
78.98606	0.2
79.95734	0.9
80.96515	4.7
85.02936	0.2
85.84790	0.2
87.00924	0.2
89.36731	0.2
91.74500	0.2
93.67921	0.2
94.98084	1.3
101.02414	0.2
114.86794	0.2
122.97639	0.2
125.02468	0.4
134.97632	0.3
148.99130	0.4
152.98627	0.2
164.98650	0.7
175.04111	0.2
184.12546	0.2
186.15962	0.2
225.00749	1.2
277.21878	0.7
278.22116	0.8
279.22491	0.6
280.22940	0.3
299.04422	0.2
408.91766	0.2
577.26837	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	575.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.6
61.98834	0.6
70.02386	0.9
70.02750	0.5
71.01386	2.3
71.02836	0.3
73.02934	0.4
83.01393	0.4
85.02943	0.7
87.00859	0.3
89.02453	2.1
95.01382	0.3
96.95992	0.7
101.02435	2.7
113.02438	1.2
119.03512	0.7
133.05101	0.3
161.04550	1.0
188.28735	0.3
206.37021	0.2
235.08244	1.7
253.09277	12.5
254.09523	0.3
261.22263	0.4
279.23282	100.0
280.23621	4.2
502.52594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26238	0.5
59.01380	17.6
69.21610	1.5
69.22021	5.0
69.32359	0.5
71.01379	2.7
73.02982	0.6
83.01417	0.7
83.17498	0.6
85.02940	1.3
89.02433	2.7
96.95999	0.6
98.20650	1.4
101.02444	3.3
119.03497	0.6
152.99551	0.6
161.04533	0.7
235.08247	1.4
253.09265	13.3
263.87143	0.6
279.23285	100.0
280.23575	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	573.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
58.01186	0.5
59.01382	12.2
61.98802	1.8
62.64532	0.5
67.61690	0.5
69.03449	1.3
69.21868	5.7
69.22163	0.5
71.01377	3.5
73.02950	3.1
85.02931	0.7
85.47372	0.6
87.04527	0.8
89.02425	1.3
90.57153	0.5
96.96007	11.0
97.02956	0.9
97.06528	0.6
100.54394	0.6
101.02410	3.2
113.02399	1.0
115.00317	1.1
119.05011	0.7
129.05568	0.7
133.01375	0.8
147.11783	0.6
157.89891	0.5
163.03975	1.1
185.11913	0.9
253.08675	1.2
276.89029	0.5
307.19061	1.0
329.23230	1.2
351.22018	0.9
357.26352	2.4
369.60672	0.6
373.25891	18.2
374.26364	1.7
375.27484	100.0
376.27701	4.1
411.11218	0.8
417.28476	0.7
457.15024	2.0
529.26465	5.3
573.30328	24.8
574.30878	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	573.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.7
61.98823	2.6
70.50317	0.9
71.01377	3.4
71.55256	0.9
78.95914	1.2
89.02455	2.8
94.59333	1.0
96.96020	3.4
101.02428	1.9
119.04980	1.0
151.75783	1.0
168.83725	0.8
212.41458	0.9
221.60315	1.0
235.08104	1.4
249.50371	1.0
251.42169	1.1
253.09282	15.4
261.94498	1.1
277.21710	100.0
278.22058	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	575.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.8
57.03445	4.3
58.00587	2.0
59.01378	99.5
59.65360	0.3
59.71004	0.3
60.01736	0.7
61.98822	1.0
66.63503	0.4
68.99819	0.4
69.03456	4.3
71.01381	67.3
71.50479	0.5
72.01730	0.7
72.82513	0.4
72.99304	4.4
73.02946	17.5
75.00868	1.2
81.03471	1.0
83.01385	12.8
83.01886	0.7
83.05029	0.6
84.02151	0.6
85.02948	28.2
87.00874	3.9
87.04520	0.4
89.02443	28.3
92.12220	0.3
95.01387	6.0
96.95998	4.1
97.02961	3.9
99.00883	8.3
99.04478	0.4
101.02438	63.3
102.02793	0.5
109.63010	0.3
111.00845	0.7
112.01646	0.9
113.02448	33.0
115.04003	0.3
119.03501	11.2
123.08159	0.8
125.02464	4.3
129.01927	1.2
131.03493	2.0
133.01427	0.4
135.04512	0.8
137.02446	0.4
137.09650	0.5
138.04788	0.4
143.03491	6.5
149.04517	1.1
151.00345	0.8
153.09236	0.4
155.03488	1.1
159.02971	4.0
161.04550	23.2
171.10303	0.7
179.03833	0.4
179.05602	6.8
185.00909	2.4
185.04425	0.4
193.04869	0.4
203.05563	1.5
205.03485	0.5
209.15414	2.5
213.12370	0.4
215.09143	0.5
253.09430	0.4
255.06570	0.4
269.04474	0.7
284.03217	0.8
299.05524	1.0
305.08694	0.3
323.09778	0.6
371.20715	14.5
372.20740	0.6
375.27463	1.9
381.09760	0.5
413.12372	1.8
413.21854	10.9
437.21146	0.4
452.58899	0.4
515.18457	0.3
515.24622	1.8
516.23834	0.4
524.85388	0.4
531.27435	0.6
533.25989	100.0
534.26251	5.6
575.17999	2.1
575.26855	29.0
576.27197	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
57.03428	1.8
59.01374	77.3
61.92123	1.1
61.98841	8.9
65.44801	1.0
69.03443	3.9
69.42418	8.3
71.01379	21.5
73.02944	16.3
75.00855	1.3
76.76453	1.1
79.95743	1.2
81.03440	1.2
83.01372	5.7
85.02935	4.2
87.00895	1.4
87.68448	1.1
88.98808	1.6
89.02440	7.1
95.01390	1.3
96.96004	17.9
97.02941	1.8
97.06575	2.1
98.20627	2.0
99.00862	2.4
101.02441	15.7
111.08172	3.0
113.02463	5.2
115.00372	2.4
115.03957	1.6
119.03468	2.3
119.05009	2.2
130.60265	1.0
131.03487	1.2
133.01445	3.8
133.10120	1.4
135.04538	2.2
143.07130	2.0
157.08681	10.3
161.04521	3.2
163.03978	3.6
178.06398	1.5
185.00916	2.4
185.11783	1.6
193.08670	4.2
253.08746	1.7
289.18143	2.7
307.19046	13.4
313.86414	1.1
329.23318	1.6
351.21631	3.8
357.26303	3.8
373.25891	18.0
374.25925	2.4
375.27484	100.0
376.27832	4.7
411.10440	1.4
457.15018	4.6
487.25229	2.0
511.25208	2.1
529.19476	2.6
529.26495	57.8
530.26886	4.0
537.32574	4.0
573.15753	1.6
573.30048	33.3
574.30304	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2881
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
51.17574	0.4
61.98831	0.7
70.08893	0.5
78.95901	50.6
87.84498	0.4
92.08948	0.4
94.61941	0.4
96.96963	11.4
98.19887	1.3
150.94380	0.4
150.97913	0.7
152.99579	49.2
171.00589	0.7
181.03825	0.4
223.00145	2.0
230.86275	0.5
241.01169	28.2
255.23274	67.8
256.23663	2.7
259.02432	0.6
315.04868	8.6
391.22281	3.3
468.79272	0.5
540.70087	0.5
571.28839	100.0
572.29248	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	571.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12761	0.4
57.03423	0.6
58.74534	0.4
59.01379	2.0
61.98825	2.8
64.47751	0.4
69.03445	0.4
71.01347	1.2
72.99232	0.4
73.02914	0.6
89.02423	1.1
96.96016	2.7
111.05356	0.3
115.00345	0.9
117.34267	0.3
118.32294	0.4
123.08116	0.5
125.09681	1.1
127.11242	1.0
133.01401	0.9
137.02428	1.2
137.09656	0.7
147.88542	0.4
153.09122	0.4
155.10744	0.6
163.03918	0.7
171.10260	20.3
172.10555	0.6
185.11812	0.4
229.14301	0.5
251.06894	0.4
285.20578	0.7
285.27350	0.4
325.23828	0.6
355.24777	1.1
371.24323	0.8
373.25909	100.0
374.26260	5.6
415.27048	0.5
423.13312	0.4
448.25937	0.4
455.13306	0.5
571.28973	18.6
572.29462	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	0.9
59.01380	3.0
61.98832	1.6
69.03446	0.4
69.28360	2.6
71.01344	1.2
73.02918	0.5
75.10023	0.3
78.95850	0.3
79.95726	0.5
83.05009	0.3
85.02913	0.4
87.04480	0.3
89.02429	0.7
93.03346	0.3
96.96015	8.0
97.02946	2.3
97.06555	0.6
98.20654	0.6
101.02413	0.6
103.00346	0.6
104.43112	0.3
111.08112	0.8
115.00339	0.8
115.07616	0.3
123.08147	0.7
125.09756	1.7
125.10562	0.4
127.11256	0.6
133.01378	0.7
135.04453	0.8
137.02393	0.7
137.09697	0.4
139.11299	0.4
141.09183	0.6
152.99562	0.5
155.10760	1.3
159.06638	1.9
171.10271	3.4
173.08139	0.8
179.03484	0.5
179.05524	0.3
185.00833	0.3
185.11810	1.0
187.09747	1.6
197.02164	0.4
211.13326	0.4
229.14400	0.8
241.00235	2.5
243.12326	0.4
251.07014	0.3
269.08160	0.3
276.09894	0.3
283.01294	0.5
285.20624	0.3
295.06250	0.7
296.06839	0.6
307.68063	0.3
343.25302	0.3
355.24951	1.2
371.24399	2.7
372.24753	0.5
373.25928	100.0
374.26303	4.7
411.14160	0.4
415.26743	0.4
437.12424	0.4
446.65570	0.3
484.10648	0.3
485.07700	2.0
494.11923	0.3
527.08502	1.6
571.08453	0.5
571.28973	17.3
572.29419	1.0
583.62433	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
61.98837	0.1
69.38940	0.9
71.01385	0.6
73.02923	0.2
79.95733	2.4
80.96492	0.1
85.02928	0.2
88.98792	0.2
89.02437	0.3
96.96009	100.0
97.02898	0.1
97.95963	0.2
98.20645	0.2
101.02431	0.2
113.02462	0.2
114.93405	0.2
150.03181	0.2
153.09250	0.1
165.05586	0.2
171.10268	0.7
172.10629	0.3
177.05576	0.1
241.00264	0.2
245.15514	0.2
289.60779	0.1
392.04132	0.1
397.13455	0.1
399.14041	0.3
416.14801	0.2
429.21225	0.3
467.15503	0.1
485.17117	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.5
61.98801	0.3
71.01376	0.9
76.26701	0.2
78.95901	0.4
79.95737	3.0
80.96517	0.3
87.00864	0.2
88.98804	0.8
89.02449	0.6
96.96010	100.0
98.95573	0.7
99.00925	0.2
101.02434	0.6
102.02788	0.2
114.93417	0.4
115.00338	0.2
116.92875	0.6
118.83721	0.2
120.87119	0.2
133.01431	0.2
153.19899	0.2
171.10262	1.1
172.10603	0.5
173.82790	0.2
179.05556	0.3
219.45360	0.3
272.82178	0.3
343.11301	0.3
379.08719	0.3
398.13864	0.5
399.14142	0.6
409.09726	0.6
409.17688	0.3
417.14603	0.3
571.14313	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	570.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
61.98828	100.0
69.25636	1.0
71.01399	0.1
75.94756	0.1
88.24193	0.1
89.02428	0.1
96.96021	0.3
114.07829	0.1
115.00394	0.2
125.01914	0.1
129.95642	0.1
133.01468	0.3
135.04521	0.2
161.70326	0.1
179.03607	0.2
293.73169	0.1
295.05838	0.2
316.18198	0.1
410.13251	0.1
510.36420	0.2
521.20758	0.1
558.24115	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	571.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43744	0.4
70.00815	1.9
81.03454	0.5
88.13207	0.5
96.96004	14.7
108.02167	57.7
109.02957	10.0
122.29225	0.5
123.04517	0.4
123.90598	0.5
151.03964	1.5
152.01151	46.9
153.01942	25.0
154.02274	0.5
156.45418	0.5
163.03996	0.8
165.01849	0.9
193.82811	0.5
200.55832	0.4
215.36925	0.4
285.06140	100.0
286.06488	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	569.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
57.03436	1.4
58.00585	0.5
59.01381	24.1
60.01694	0.4
61.98832	12.1
68.52593	0.4
69.03462	0.8
70.77615	0.9
71.01381	21.3
72.99301	1.5
73.02941	4.1
73.92961	0.4
78.31708	0.4
83.01380	3.0
85.02948	6.7
87.00863	1.9
87.04514	100.0
88.04845	0.9
89.02440	14.3
95.01399	0.5
96.96011	4.1
97.02967	1.5
99.00879	1.5
101.02441	12.8
109.02958	1.0
111.00880	3.5
113.02453	5.4
115.00381	2.3
115.04008	1.0
119.03505	0.8
125.02446	2.9
129.01891	0.4
131.03485	6.9
132.54309	0.4
133.01433	2.0
133.02982	0.5
135.04510	1.8
137.02406	0.7
139.98627	0.4
143.03508	1.6
149.04529	3.2
158.03812	0.4
161.04561	1.6
162.09161	0.4
171.10217	2.8
179.03499	1.3
191.05630	0.5
200.80301	0.4
215.05464	0.4
225.14908	0.4
233.06631	1.8
235.08095	0.4
267.06628	1.0
269.04562	0.4
275.07547	0.5
289.16614	0.8
293.08698	1.0
311.05600	0.4
312.06265	0.4
365.14148	0.6
377.21671	3.7
397.13379	2.2
409.12924	2.1
415.14557	0.8
421.20746	9.7
439.21988	1.2
484.32999	0.4
509.25992	65.1
510.26364	4.6
533.29504	0.5
569.28357	1.0
586.91418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
59.01361	1.8
59.94469	0.4
63.76337	0.4
69.18984	1.6
69.19408	2.3
78.95906	25.2
86.52113	0.4
97.06602	0.4
102.13443	0.4
108.78931	0.4
111.99953	0.4
113.09726	1.5
119.36208	0.4
120.78442	0.4
152.99582	3.7
168.04318	3.8
179.14430	1.6
195.13898	20.1
196.14154	0.8
224.06921	9.6
242.08009	2.0
277.21719	16.1
278.22067	0.7
293.21231	3.2
295.22778	62.1
296.23126	2.8
375.06509	0.4
518.28809	1.2
520.30438	100.0
521.30756	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	570.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49488	0.4
57.03443	0.8
59.01385	2.8
61.30014	0.4
61.98827	2.7
62.79796	0.5
71.01379	1.1
71.55396	0.5
71.55762	0.6
78.95903	13.3
83.05045	0.5
96.95987	0.5
97.06579	1.0
113.09702	2.7
151.11258	2.5
152.11699	1.1
152.99580	3.7
159.27702	0.5
168.04286	2.7
171.10277	1.0
177.12811	1.0
179.14417	1.4
181.12312	0.8
195.13895	25.6
195.78836	0.5
196.14160	0.6
209.11812	0.7
224.06844	2.7
227.12834	2.4
228.13235	1.2
242.07954	4.3
271.27292	0.5
277.21710	21.0
278.21979	0.7
295.22769	98.3
296.23215	3.5
296.26178	0.5
345.63196	0.5
400.14493	0.5
433.16104	0.5
520.30420	100.0
521.30719	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	568.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10279	0.1
59.01374	1.4
61.98828	100.0
67.07539	0.1
71.01382	0.4
71.15276	0.3
89.02441	0.2
96.96034	0.4
97.02981	0.1
101.02473	0.2
102.53369	0.1
115.00351	0.3
133.01405	0.3
135.04514	0.1
152.99576	0.2
171.10284	0.2
180.70415	0.1
229.08852	0.1
262.64453	0.1
266.35114	0.1
267.06454	0.2
334.65796	0.1
416.18039	0.1
508.35727	0.1
533.29974	0.2
534.27570	0.1
549.99170	0.1
569.27264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03454	0.4
59.01383	3.0
61.98832	1.5
70.29437	0.9
71.01376	1.9
72.99316	0.5
73.02950	0.6
78.95897	0.5
80.15858	0.4
80.96537	0.8
89.02431	1.0
96.96006	2.4
97.02972	0.8
101.02438	0.9
109.02896	0.4
115.00365	1.2
119.03538	0.4
121.02926	0.6
123.08156	0.5
125.09722	1.4
133.01428	2.1
135.04529	1.1
141.09264	0.6
155.10849	0.6
171.10277	4.2
183.10223	0.8
209.11879	0.5
267.06604	0.8
341.23312	3.4
353.23212	1.9
369.22775	0.5
371.24365	100.0
372.24686	5.2
380.91388	0.4
392.89008	0.4
409.12839	1.3
436.99414	0.5
483.23282	0.8
529.78186	0.5
569.27820	13.7
570.27826	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64165	0.1
59.01375	3.8
61.98828	100.0
70.27271	0.4
71.01383	0.6
80.70915	0.1
85.02968	0.2
87.04517	0.4
89.02447	0.2
99.92602	0.5
100.92586	0.1
101.02495	0.2
115.00405	0.2
127.31710	0.1
133.01427	0.2
133.02875	0.1
134.75514	0.1
179.03517	0.2
281.25394	0.1
382.61011	0.1
404.66248	0.4
405.16592	0.1
507.35358	0.2
508.35226	0.9
509.26053	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61549	12.2
59.01369	24.1
61.98827	47.3
70.83444	18.0
70.83784	31.1
72.44306	11.6
79.64028	11.2
96.96011	59.6
111.76849	13.0
156.20053	12.9
174.61729	12.4
188.87221	13.8
251.07039	18.0
253.09055	51.8
295.22678	69.3
323.07272	14.1
567.21985	72.3
567.29901	100.0
587.32703	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	568.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03395	0.4
59.01380	2.9
61.98824	5.9
64.21548	0.4
67.34766	0.4
70.45659	0.9
70.46052	0.9
71.01386	0.9
78.95900	26.0
89.02451	0.6
96.96042	0.6
96.96981	0.4
113.09736	0.6
122.98502	0.6
125.32868	0.4
152.99588	4.1
155.10762	0.6
156.64270	0.5
168.04289	4.8
171.10274	3.3
179.14391	0.8
181.12334	0.6
195.13875	10.6
196.14499	0.5
205.12379	0.7
205.15929	0.5
211.13307	0.9
223.13400	6.3
224.06912	9.6
228.13417	0.7
242.07922	2.5
256.13190	1.3
275.20117	4.3
293.21207	42.3
294.21451	2.2
338.28241	0.4
397.13745	1.0
518.28833	100.0
519.29065	5.9
533.40759	0.4
597.07947	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.419
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07065	2.7
71.46206	4.9
73.02963	3.1
87.04537	3.9
108.84410	3.2
120.42661	2.7
131.07123	4.5
143.63516	3.1
176.92203	2.6
183.54178	3.0
230.34383	2.9
309.31717	14.9
355.32095	15.8
398.36160	4.8
425.10654	3.1
482.74615	3.0
489.12518	3.6
530.44189	100.0
531.44714	9.6
566.41736	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	566.294
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	1.1
59.01357	0.5
61.98829	0.8
67.03021	0.8
69.46212	0.4
69.52516	2.6
71.01395	0.4
72.00917	1.0
73.04073	5.3
74.02453	0.4
80.03803	0.9
81.04578	3.1
81.60164	0.4
89.43011	0.4
93.04585	10.5
95.02478	0.4
96.96018	0.5
98.02489	1.0
99.02008	0.5
108.05691	1.4
109.04064	0.7
110.07242	25.1
112.05176	3.0
113.03565	0.6
115.05130	4.4
120.05663	0.6
121.02947	1.2
129.10338	3.6
130.06230	6.0
130.08733	0.9
136.05179	2.5
137.03558	7.2
139.08763	1.4
140.07175	1.5
141.10373	0.8
142.06172	0.6
151.08745	2.3
154.06219	62.2
155.04587	1.0
155.06564	0.7
155.08237	2.3
164.04668	0.8
165.01938	1.1
167.09424	0.9
168.11407	3.7
169.09789	2.0
172.07278	8.6
182.13164	0.4
186.12486	1.2
188.11890	0.7
195.14989	1.0
197.16594	1.3
200.13986	0.4
202.08383	0.6
207.15021	1.8
223.15634	7.6
224.17700	1.0
225.13545	1.2
225.16084	2.5
232.10995	0.8
242.18721	3.3
249.13545	1.4
267.14569	8.0
280.17865	0.9
281.19922	0.6
285.15649	3.1
295.22672	0.4
299.20822	0.6
301.20261	0.8
336.24017	7.1
377.34726	0.4
380.22968	0.9
393.26147	4.8
396.22662	0.4
411.22366	0.5
437.25082	1.3
450.27991	0.8
492.29468	0.6
506.27365	0.7
536.28400	13.1
537.28479	1.0
548.28168	3.3
566.29407	100.0
567.29663	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	565.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.1
61.98806	1.7
69.03445	1.8
69.86479	5.0
71.63899	1.0
77.61077	1.0
93.73297	0.9
96.95998	1.1
108.10168	0.9
111.61716	0.8
139.46808	0.8
167.10745	3.4
179.10834	1.4
179.14444	3.1
195.13884	11.2
205.12355	9.1
223.13391	100.0
224.13753	2.6
423.05234	1.0
568.75366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.5
59.01377	69.8
60.01708	0.4
61.98828	100.0
69.03444	0.5
69.37334	3.3
70.21373	0.4
70.66584	0.4
71.01380	6.5
73.02942	2.4
75.00855	0.4
83.01376	1.2
83.68729	0.4
85.02949	3.3
87.00877	0.7
87.04497	0.7
89.02448	2.2
89.02923	0.4
93.23049	0.3
95.01356	0.8
96.95978	1.4
97.02911	0.8
98.19899	0.8
99.00826	0.5
101.02443	4.8
101.06055	0.7
102.07002	0.4
113.02449	3.3
115.00322	0.6
116.92801	1.5
117.92795	0.9
119.03468	0.7
125.02377	0.7
126.95097	0.4
143.03462	0.6
161.04451	1.1
173.71233	0.4
183.66794	0.4
328.21707	0.4
381.22534	0.9
399.23828	10.9
417.24850	4.9
459.25967	6.7
460.25745	0.4
505.32758	1.8
506.34055	4.5
523.34161	0.5
524.34106	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	565.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32695	1.0
55.53404	1.0
57.03434	2.0
59.01117	1.5
59.01382	24.5
61.98822	4.3
68.90289	1.0
71.01382	10.8
71.54642	2.0
73.02937	4.3
76.79651	1.1
85.02964	5.6
86.50829	1.1
86.72466	1.2
87.04507	1.5
89.02438	4.5
96.96017	9.3
99.00874	1.6
101.02443	5.5
113.02449	4.7
115.00364	2.3
116.92876	6.7
118.85779	1.1
119.03448	1.7
131.03519	1.1
134.03745	22.5
137.02448	1.4
137.09717	8.3
147.04498	1.8
152.39322	1.4
155.10776	83.1
156.11032	2.0
162.03217	2.6
175.03979	1.4
177.05560	1.4
190.06339	1.2
193.05049	18.9
194.05728	2.3
199.09746	100.0
200.10135	1.9
203.12840	2.6
205.08694	2.5
207.06506	1.3
213.11310	1.3
241.10690	2.7
283.05923	1.4
297.07422	1.4
298.08383	2.0
313.10812	4.8
317.23080	1.7
327.09720	3.4
328.13101	2.2
359.14981	11.6
361.14972	13.3
403.12656	1.5
443.26596	1.4
443.84958	1.2
461.27502	13.7
479.28543	2.4
517.27930	3.4
565.19141	8.9
565.28986	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	565.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55956	18.8
59.01360	26.5
61.98825	100.0
69.71998	94.9
71.01398	29.3
72.14992	19.5
76.52216	21.8
96.96011	43.1
112.42354	21.1
114.11500	19.8
254.85564	30.1
293.21124	45.6
407.17715	29.5
446.02789	22.1
467.08676	22.0
556.00623	24.7
565.28070	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84491	17.0
53.37970	16.1
55.39149	14.5
59.01374	29.7
61.08768	16.1
61.98824	54.0
69.21078	88.0
69.21506	76.9
71.01376	28.8
181.02225	16.0
293.21194	64.4
443.24036	20.6
565.27740	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	565.286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.1
59.01382	26.0
61.98834	4.3
64.58689	1.2
70.84814	2.1
70.94521	1.4
71.01381	9.9
73.02937	4.1
75.18469	1.2
83.01379	1.9
85.02946	6.2
87.04518	2.1
89.02424	2.7
96.95997	11.7
97.02950	2.0
99.00854	2.1
101.02443	6.3
109.02898	1.5
110.36330	1.1
113.02452	4.8
113.37109	1.1
115.00373	1.7
116.92870	8.4
119.03528	1.3
127.81857	1.2
133.01422	1.3
134.03737	11.2
137.09714	8.1
143.03459	1.5
144.14473	1.2
151.99815	1.2
155.10782	85.9
161.04593	2.0
162.03291	2.6
177.05635	1.9
181.08691	1.3
190.72446	1.1
193.05038	12.7
199.09752	100.0
200.10020	1.3
201.14874	1.9
203.12898	2.8
208.07625	1.2
230.22371	1.3
241.10764	2.6
298.08362	1.5
313.10776	2.5
327.09601	2.2
328.13107	1.3
359.15033	6.4
361.15024	14.8
403.14285	2.1
443.26761	2.1
461.27588	18.4
479.28445	7.1
489.15063	1.6
509.02081	1.5
517.27618	1.3
521.26453	1.6
565.19965	6.6
565.29510	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61291	7.8
59.01391	44.8
59.15403	7.4
59.48577	7.7
61.98831	100.0
69.21632	76.7
71.01382	21.9
77.54613	7.7
77.96474	8.0
80.94344	7.6
80.96492	9.0
96.96021	22.9
98.20675	17.5
99.81357	7.5
109.00373	7.2
133.01425	12.9
135.04518	9.3
173.05463	8.4
177.73274	7.9
225.55064	8.4
253.09305	36.0
293.21326	72.8
377.28537	8.6
565.28290	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.8
59.01381	5.2
61.98823	3.9
69.03455	6.4
70.03798	0.5
70.79765	0.8
70.80130	0.8
71.01383	3.6
72.99319	0.5
73.02943	3.4
78.95897	5.5
79.01892	1.9
83.01421	0.6
85.02936	2.1
86.03304	0.6
89.02444	1.1
93.38280	0.4
95.01374	2.4
96.87379	0.4
96.96004	1.2
96.96951	1.1
97.02946	77.0
97.06598	0.5
98.03319	1.0
98.19868	0.4
99.00871	0.8
101.02437	1.9
111.09886	0.4
113.02444	1.5
115.00374	0.7
119.03547	0.5
123.00894	3.0
125.11279	0.4
127.78587	0.4
135.08153	0.5
137.09717	6.4
141.01952	3.1
153.09201	6.9
155.10773	98.0
155.37779	0.4
156.11090	2.1
161.04517	0.6
171.10248	1.8
172.10583	0.6
181.12321	0.8
185.00894	2.7
192.83777	0.4
197.08177	4.7
199.09750	100.0
200.10001	2.1
211.13356	1.2
229.14471	0.5
241.01286	0.6
253.09267	2.5
254.09734	1.0
255.09923	0.9
327.21732	2.7
328.21997	3.4
329.22824	4.5
341.12299	0.9
367.10464	1.4
383.09988	1.1
385.11395	5.3
431.98538	0.4
449.18286	0.5
462.13528	0.5
505.33774	6.0
565.19397	15.2
565.27948	2.8
565.35651	0.6
566.19537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52142	0.2
55.01876	1.5
57.03450	4.5
58.00584	1.2
59.01378	100.0
61.98830	4.9
67.01896	0.5
69.03461	2.1
70.03781	0.2
71.01380	31.2
71.05016	0.9
71.42566	0.4
71.88721	0.2
72.99300	1.8
73.02945	7.9
74.06969	0.2
75.00892	0.4
79.95714	1.2
80.96537	0.4
81.03486	0.3
83.01387	4.4
83.05038	0.7
84.02193	0.3
85.02948	17.9
85.06594	1.2
85.67952	0.3
86.00113	0.7
86.03294	0.3
87.00876	2.4
87.04523	1.0
89.02443	10.0
91.07793	0.2
93.03435	0.4
95.01389	3.1
95.05024	0.4
96.96011	33.8
97.02967	1.5
97.06578	1.8
99.00890	3.9
101.02442	21.2
111.00874	1.4
111.08176	0.3
112.01658	0.5
113.02446	18.4
114.02790	0.3
115.00378	0.7
115.04027	0.5
118.96942	0.6
119.03506	3.1
124.01659	0.6
125.02455	1.7
125.09751	0.4
129.01961	0.6
131.03511	0.7
133.01419	0.8
135.04555	0.7
141.01730	2.5
143.03508	2.1
143.10777	1.7
149.04558	0.4
159.03018	1.9
161.04547	9.4
161.13443	0.4
169.12320	0.4
171.10292	0.4
171.94572	0.2
173.04591	0.3
179.05608	1.1
179.07013	0.2
185.00826	0.3
191.01952	0.7
191.05576	1.7
197.15485	0.5
211.17023	0.5
229.18098	0.4
253.09215	2.7
253.21495	0.3
257.21259	0.4
271.22797	2.3
283.19345	0.3
284.03262	0.9
297.24850	0.2
299.05569	1.5
299.26031	0.6
305.16010	0.5
311.25870	1.6
313.27432	0.6
323.25916	1.2
327.21725	5.1
341.23447	0.3
341.26956	1.3
359.28055	3.1
371.15036	0.3
401.25470	0.4
405.63464	0.3
415.26993	1.4
429.20251	0.4
433.28036	10.8
434.28339	0.5
455.30301	0.5
462.49466	0.3
467.29715	0.4
473.31293	0.6
485.31204	3.5
503.32239	70.7
504.32626	4.1
519.32245	0.3
521.33258	24.4
522.33691	1.9
563.21613	0.5
563.33936	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32852	0.3
53.32365	0.3
53.70312	0.3
55.01878	2.3
57.03444	6.3
58.00602	0.7
59.01379	100.0
60.01704	0.6
61.98812	0.4
63.76443	0.3
67.74879	0.3
69.03456	2.8
69.43810	1.1
69.44244	1.2
71.01380	28.6
71.05015	1.0
72.99316	1.6
73.02946	10.7
73.04087	0.4
81.02206	0.3
81.03462	0.6
83.01385	7.3
83.05029	0.8
84.02194	0.6
85.02947	22.5
86.00086	0.8
87.00864	2.5
87.04527	1.0
89.02443	8.2
95.01376	3.5
95.05017	1.0
96.96025	0.4
97.02950	2.2
97.06586	5.2
98.02498	0.9
99.00874	4.4
99.04545	0.3
99.05647	0.5
99.08145	0.8
101.02441	24.4
109.06566	0.5
111.00868	2.7
112.01661	1.0
113.02448	15.0
115.04034	0.5
119.03477	3.1
124.01637	0.7
125.02437	2.4
125.09714	1.2
127.11281	1.5
129.01936	0.9
131.03461	0.4
137.09743	1.6
141.01994	0.4
141.06709	0.8
143.03474	2.4
143.10776	3.4
147.04541	0.4
149.04552	0.3
155.10779	0.8
155.14510	0.4
159.02963	2.7
161.04543	10.7
164.07153	1.4
165.12846	0.9
167.14375	0.8
171.08789	0.7
171.10265	14.3
172.10529	0.6
177.12801	0.9
179.05605	2.1
179.14418	0.5
181.15915	0.4
183.13913	2.2
185.11827	0.9
191.05562	0.4
193.12285	0.7
197.11946	0.4
197.15410	0.4
199.06367	0.5
201.11302	0.4
205.06487	1.1
209.11905	1.6
211.13387	12.0
221.11836	2.1
227.12991	0.4
229.14429	8.6
237.18529	0.5
239.12871	1.4
247.20724	0.7
253.09270	27.6
254.09709	0.5
259.14352	0.4
271.22775	3.9
283.22693	0.4
291.19583	2.6
297.24350	0.4
299.25977	0.9
305.16003	0.7
309.20657	1.6
311.25684	1.9
313.15491	0.4
313.27490	1.2
323.25876	2.0
327.21738	74.9
328.22147	3.2
339.25192	0.5
341.26926	1.0
357.14548	6.3
359.28073	3.7
361.91412	0.3
401.14465	0.4
415.27081	3.5
429.97513	0.4
431.26648	0.4
433.28027	21.9
434.28333	1.1
443.29999	0.8
455.30185	0.9
457.31778	0.6
467.30002	0.5
473.31152	0.7
485.31213	3.5
499.21793	0.7
503.32245	77.5
504.32620	4.7
519.27710	0.4
521.33282	29.1
522.33417	1.5
563.21588	3.9
563.31812	2.2
564.21918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
57.03441	3.8
58.00595	0.8
58.02974	0.6
59.01378	45.3
63.96243	0.5
65.25479	0.3
69.03450	2.3
71.01382	14.4
71.01779	0.7
71.04992	0.6
71.55515	0.6
72.99303	0.8
73.02950	5.2
73.04070	0.9
74.05949	0.3
75.00881	0.4
76.97011	0.6
81.03478	0.4
83.01384	3.3
83.05023	0.9
85.02950	14.9
85.03467	0.8
87.00893	1.3
89.02442	7.2
95.01403	1.3
95.05020	0.7
96.00926	1.2
97.02958	1.5
97.06582	3.9
98.02470	2.6
99.00890	1.4
99.05634	1.1
99.08144	0.5
100.88487	0.3
101.02444	12.7
111.00900	1.0
111.02022	0.4
112.01675	0.6
113.02453	7.9
115.03994	0.3
115.05134	0.6
116.24500	0.3
119.03506	1.6
123.08161	0.5
125.02457	1.1
125.09721	0.8
127.11235	1.6
129.01913	0.7
137.09726	2.1
141.01933	0.3
141.06660	1.9
142.79211	0.3
143.03499	1.3
143.10777	1.2
147.04515	0.8
149.04645	0.4
155.10770	0.7
155.14447	0.4
159.02975	1.0
161.04547	6.2
164.07173	2.4
165.10320	0.5
165.12813	1.1
167.08234	0.5
167.14381	0.5
171.10265	23.7
172.10590	0.4
177.12825	0.9
179.05605	1.8
183.13928	2.0
185.11858	1.1
193.12337	0.8
197.11716	0.5
199.06367	1.2
199.13322	0.6
201.11317	0.8
205.06535	2.0
209.09868	0.4
209.11868	1.5
211.13382	14.4
211.99585	0.4
212.13782	0.5
221.11844	3.3
227.12892	0.4
229.14421	10.0
239.12859	1.5
247.20563	0.5
253.09271	35.2
254.09561	0.8
259.14383	0.4
271.22858	1.8
291.19684	3.0
295.14346	0.6
299.26022	0.4
309.20639	1.5
311.25995	0.9
313.15622	0.9
323.25897	0.9
327.21741	100.0
328.22089	3.9
338.73712	0.4
341.26712	0.4
357.14526	11.9
358.14890	0.6
359.28015	1.5
415.27115	1.1
433.28046	8.1
446.64487	0.4
472.19455	0.5
485.31122	1.2
499.21652	1.9
503.32245	30.7
504.32455	1.7
521.33313	10.9
522.33752	0.7
563.21600	6.0
563.30865	4.6
564.21844	0.7
589.14410	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
57.03444	2.2
58.00597	0.5
59.01377	16.7
61.98830	3.3
69.03458	1.7
71.01377	9.2
72.99304	0.5
73.02930	1.8
79.01981	0.2
81.03448	0.3
81.67407	0.3
83.01405	1.2
83.05024	0.5
85.02950	10.1
87.00885	0.8
89.02439	6.3
91.04056	0.4
95.01386	0.8
95.05003	0.5
96.96015	2.9
97.02936	1.3
97.06586	3.2
98.95602	1.3
99.00895	0.7
101.02441	8.5
110.03673	0.3
111.00844	0.3
111.04552	0.4
111.08145	0.4
113.02458	3.6
115.92068	0.6
116.92838	0.5
119.03504	2.0
119.08631	0.3
123.08140	0.4
125.02400	0.4
125.09711	1.1
127.11291	1.0
131.03548	0.3
135.04559	0.3
135.08237	0.3
137.09692	2.4
141.01724	0.9
143.03477	0.9
151.03983	0.3
155.10773	0.7
155.14441	0.3
161.04558	3.6
164.04791	0.3
165.12883	0.5
167.14409	0.7
171.10265	17.3
172.10637	0.3
177.12830	1.2
179.05644	1.2
183.13893	3.0
185.11815	0.9
191.05623	0.7
193.12297	0.9
195.13939	0.4
197.11902	0.5
201.11336	0.9
203.10870	0.5
209.11850	1.3
211.13379	14.9
212.13716	0.5
221.11781	2.8
227.12924	0.4
229.14410	11.9
230.14772	0.6
239.12897	2.1
253.09264	36.4
254.09581	0.8
291.19666	2.6
309.20670	2.0
327.21732	100.0
328.22052	4.0
357.14142	0.3
359.27847	0.4
371.15131	0.4
401.12134	0.3
401.25696	0.4
433.27939	0.4
503.32175	6.9
510.82651	0.3
521.33179	2.5
563.22345	0.3
563.30688	7.6
564.30725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39771	0.3
55.01884	0.7
57.03443	2.6
58.00592	0.8
59.01378	17.7
61.98817	1.2
65.26277	0.3
67.01868	0.3
67.45901	0.3
69.03453	1.8
70.56652	0.8
71.01003	0.6
71.01379	8.4
71.04988	0.3
72.99290	0.5
73.02951	2.1
81.03416	0.4
83.01393	1.5
83.05015	0.5
84.02164	0.4
85.02946	10.7
85.91982	0.3
87.00870	0.9
89.02441	6.8
93.03451	0.5
95.01395	0.6
95.05021	0.4
96.96014	3.6
97.02930	1.5
97.06585	2.8
98.95595	2.8
98.96275	0.4
98.96407	0.4
99.00867	0.6
99.92588	0.5
101.01789	0.5
101.02442	7.7
111.08150	0.3
113.02446	4.3
114.02830	0.3
115.92050	0.6
116.92847	1.2
119.03484	2.3
119.08602	0.4
125.09711	1.2
127.11254	1.3
137.09708	2.3
143.03491	0.8
149.04573	0.4
155.10854	1.4
157.36557	0.3
161.04555	3.5
165.12814	0.5
167.14378	0.5
171.10268	21.8
172.10617	0.4
177.09390	0.3
177.12912	0.4
179.05597	1.5
181.12344	0.4
183.13898	2.7
184.15958	0.3
185.11818	0.9
191.05754	0.4
191.75980	0.3
193.12323	0.9
197.11803	0.9
201.11333	0.7
209.11778	1.2
209.70261	0.3
211.13379	15.0
212.13721	0.5
221.11826	2.3
221.62878	0.3
227.12825	0.5
229.14427	10.7
229.17902	0.4
239.12947	1.5
251.16634	0.4
253.09270	35.7
254.09598	0.7
291.19650	3.3
309.20795	1.5
327.21741	100.0
328.22028	3.8
341.26968	0.9
359.28159	0.7
367.08862	0.4
401.25397	0.6
433.27853	0.4
503.32260	7.5
521.26630	0.5
521.33258	2.4
563.15338	0.4
563.29950	7.1
567.42950	0.3
573.93182	0.3
594.73248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27993	12.3
59.01375	29.8
61.98832	100.0
69.62865	66.8
71.01375	25.5
85.46076	11.4
85.57877	9.8
96.96001	15.0
98.93170	12.0
123.43665	11.4
131.42160	10.9
140.51442	13.0
144.90787	10.3
172.27368	11.7
182.89064	11.7
216.70416	12.4
235.74132	11.7
253.09314	24.1
281.07874	12.6
291.19711	67.9
327.21991	11.2
527.28564	29.6
550.07617	13.2
563.26111	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
57.03422	0.5
58.00587	2.7
59.01377	69.4
63.25863	0.4
69.03503	0.5
69.50808	3.1
71.01380	44.5
72.99321	2.6
73.02945	7.3
83.01387	1.2
83.18573	0.4
85.02948	5.9
86.00101	0.5
86.54273	0.5
87.00883	4.0
89.02444	88.0
90.02821	0.5
96.17862	0.5
96.96027	1.6
97.02966	0.7
99.00870	0.6
101.02441	39.2
113.02441	8.3
114.93420	1.2
119.03516	5.3
125.02462	1.5
131.03502	30.7
143.03490	1.0
149.04552	100.0
150.04871	1.1
161.04639	2.3
191.01962	0.7
191.05600	17.4
239.77321	0.5
251.07820	2.2
275.07758	0.7
281.08752	0.6
293.08835	1.1
311.09714	3.6
329.13727	1.1
409.88403	0.5
420.63000	0.6
503.25040	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	563.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74100	0.3
55.01880	0.5
57.03452	2.1
58.00589	0.4
59.01376	10.0
61.98829	2.2
65.71409	0.3
67.01878	0.3
69.03440	1.9
70.67422	0.7
71.01376	6.5
71.04994	0.3
72.99276	0.4
73.02937	1.3
83.01387	0.7
83.05016	0.7
84.02140	0.4
85.02452	0.5
85.02950	8.5
86.75035	0.3
87.00867	1.3
89.02441	5.0
90.59457	0.3
91.04027	0.4
93.03448	1.0
95.01384	0.7
95.05013	0.6
96.96013	0.8
97.02955	1.3
97.06576	2.7
98.19939	0.3
99.00834	0.5
101.02445	5.9
101.55820	0.2
108.02216	0.3
109.06561	0.5
110.03641	0.3
113.02453	2.7
115.00330	0.3
119.03502	2.0
119.08614	0.4
125.02413	0.4
125.09717	1.0
127.11314	1.3
131.03479	0.3
134.03755	0.3
135.04520	2.7
137.09703	2.3
143.03470	0.9
149.89279	0.2
151.03998	0.5
155.10782	1.0
161.04541	3.6
165.12816	0.4
165.32689	0.3
167.14337	0.5
171.10262	25.1
172.10611	0.5
173.04550	1.1
177.12917	0.5
179.03432	0.7
179.05569	0.9
183.13889	2.1
185.11801	0.5
191.05618	4.2
193.12308	0.7
193.20351	0.3
195.13860	0.3
197.11794	0.9
201.11319	1.6
209.11830	1.3
211.13385	13.6
221.11807	2.6
227.12802	0.5
229.14438	8.7
239.12869	1.8
247.20663	0.6
253.09274	36.2
254.09671	0.9
291.19699	2.9
308.08743	0.5
309.20816	2.1
315.25085	0.6
327.21753	100.0
328.22107	3.7
352.08087	0.5
371.14978	1.4
421.27676	0.3
477.30753	1.0
503.32095	0.5
519.31799	1.9
526.53302	0.3
563.21564	0.6
563.30029	4.5
564.31262	0.5
576.82318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1403
Annotation	Apiin
Peak:m/z	Relative Intensity
54.26391	0.2
59.01379	4.1
61.98832	1.2
63.02392	1.5
63.31793	0.1
65.00337	0.6
71.01379	2.6
71.55595	0.2
72.54606	0.1
72.99330	0.2
73.02939	0.5
83.01389	0.4
83.04972	0.2
85.02974	1.1
85.04861	0.2
87.00887	0.4
89.02439	3.2
93.03448	0.3
96.96010	4.4
98.95593	1.5
98.96434	0.2
101.02457	1.2
105.03473	0.2
107.01396	1.8
113.02453	0.6
115.00378	0.2
117.03453	3.1
119.03504	0.3
121.02943	0.3
123.00909	0.2
130.08694	0.3
131.03526	1.0
133.01501	0.2
134.03773	0.2
135.04552	0.5
136.01682	0.2
137.02466	0.2
148.05327	0.2
148.62166	0.2
148.63338	0.2
149.02477	1.1
149.04556	2.6
151.00372	0.8
151.03989	0.4
159.04549	1.1
160.05266	0.4
161.02429	0.8
161.04628	0.4
163.07629	0.2
169.06589	0.4
171.04517	0.3
175.07687	0.4
179.59273	0.2
181.06566	0.4
183.04498	0.6
189.05676	0.3
191.05649	0.7
195.06610	0.4
196.05238	0.3
197.06038	0.7
200.04770	0.2
201.05495	0.5
211.04074	0.3
211.38808	0.2
219.32169	0.2
224.04790	0.3
225.03387	0.1
225.05537	1.1
227.03513	0.4
239.03461	0.4
240.04234	0.5
241.05321	0.2
253.05099	0.2
267.02826	0.2
268.03754	8.2
269.04532	100.0
270.04886	3.5
311.05682	0.4
311.09354	0.2
329.13867	1.5
341.13538	0.2
359.15070	0.3
401.21234	0.2
413.08810	0.3
431.09833	1.1
433.85010	0.2
438.80106	0.2
500.25195	0.2
503.25052	1.6
563.14014	42.6
564.14368	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	563.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.7
57.03424	3.0
58.00572	2.0
59.01379	82.1
61.98824	2.1
69.03444	3.3
71.01009	1.7
71.01381	28.9
71.54782	2.3
72.99311	3.1
73.02942	11.3
75.00870	1.8
80.14829	0.9
83.01401	6.0
85.02945	18.2
86.00076	2.3
87.00874	6.5
88.98814	3.0
89.02451	8.3
93.03447	2.3
95.01378	2.9
96.96008	25.0
97.02939	3.8
98.95573	2.9
99.00878	6.2
101.02443	21.5
109.02958	1.3
111.00845	1.2
112.01637	1.3
113.02451	8.7
119.03469	1.7
121.02991	7.0
124.96818	1.1
125.02459	1.5
131.90213	1.3
135.04489	2.1
136.01695	2.0
141.01881	1.4
143.03467	2.1
145.02913	4.1
147.04483	2.2
149.04675	1.6
149.06020	1.2
151.03946	3.5
159.04523	3.3
161.04549	2.3
191.01888	1.4
191.05608	2.2
217.18530	1.2
224.04747	1.3
238.06346	2.3
239.07169	2.5
239.54300	1.3
240.04305	2.2
243.12296	3.8
251.07195	1.6
253.08963	4.5
254.05800	1.1
255.06590	3.4
263.07059	2.7
265.08643	2.8
266.05789	2.8
267.06628	4.3
267.10110	1.3
268.07291	3.1
269.04919	1.7
269.08121	7.7
270.08899	3.8
271.09689	1.2
280.07285	3.7
281.08188	21.0
282.08945	8.0
283.09763	12.8
284.03281	2.8
284.10205	1.7
293.08136	6.4
295.09763	6.0
296.10330	2.6
297.11105	1.7
298.06433	1.2
299.05603	3.4
299.09207	6.5
300.09802	2.5
308.10684	1.1
309.11258	1.7
311.09363	8.1
311.12543	2.3
312.10083	2.7
314.08087	2.2
314.11526	9.4
315.12180	4.9
325.10727	1.6
326.11557	19.6
327.12299	11.7
327.21747	7.6
328.09378	1.5
328.12921	1.6
329.13892	22.0
340.09668	2.1
341.10056	1.0
341.13916	17.2
343.11780	3.9
353.10272	1.3
355.11829	9.0
356.12158	1.4
356.75330	1.0
357.13199	2.2
359.14246	1.1
368.12787	1.7
369.13297	2.4
383.14999	1.5
385.14603	2.1
399.14462	1.3
411.14267	2.1
427.15845	1.9
443.13333	2.3
445.15259	1.9
450.24573	1.2
455.13376	4.7
458.15787	11.3
461.14517	2.0
470.15771	9.0
473.18381	58.5
474.18280	4.3
476.16885	13.1
485.18127	79.1
486.18393	5.8
488.16888	10.8
491.19189	57.8
492.19467	2.5
503.19208	91.2
503.31900	8.1
504.19489	5.2
515.15710	2.9
521.33502	2.5
530.17847	2.8
533.20245	100.0
534.20520	7.5
545.20245	63.0
546.20331	3.9
551.67841	1.3
563.29181	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	562.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89814	0.3
59.01374	0.5
61.98833	1.8
62.46422	0.3
62.96416	0.5
65.63069	0.4
65.76283	0.3
71.02880	0.7
75.00869	0.5
78.95902	37.1
83.05041	0.5
85.06586	2.7
104.97447	0.4
122.00146	1.3
122.98630	0.4
124.01718	0.3
140.01202	9.0
152.99574	2.4
153.12817	0.4
155.14388	0.4
156.72391	0.4
165.12914	0.7
166.02753	0.6
171.00681	0.4
181.12416	0.8
196.03804	16.1
199.13405	12.1
214.04832	3.7
261.18658	0.8
279.19635	18.4
280.19962	0.8
347.25830	6.5
363.25345	1.4
365.26944	100.0
366.27316	4.2
562.31458	76.3
563.31836	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	562.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	3.1
71.55529	1.1
78.95898	10.3
85.06593	2.3
91.11380	0.9
118.39560	0.8
140.01187	2.8
152.99556	1.6
196.03740	2.0
199.13391	8.2
214.04843	4.3
219.12489	1.0
279.19617	12.6
280.20099	0.9
347.25800	6.2
365.26935	100.0
366.27505	4.2
562.31458	31.4
563.31653	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	562.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87778	0.4
61.98829	100.0
71.01366	0.6
71.54538	0.4
71.54886	0.6
74.24136	0.5
83.01395	0.6
92.84954	0.5
93.03506	0.5
96.96014	1.3
99.00920	0.7
109.02962	1.6
110.47797	0.4
111.76425	0.5
112.62192	0.4
115.00404	1.3
121.06595	0.5
134.04875	0.5
135.04494	1.0
137.02477	0.8
139.00372	1.4
147.04674	0.4
149.06071	9.8
159.04482	0.8
159.58609	0.5
161.02460	2.1
161.06120	0.8
165.01996	1.4
175.02579	0.6
175.04028	1.6
177.01924	1.7
179.25494	0.4
185.06091	0.6
189.05507	0.7
193.05093	1.5
203.07129	0.8
213.05661	0.6
219.02943	3.5
225.54805	0.5
231.03014	1.1
231.06651	1.1
233.04564	1.6
237.04025	6.9
259.02383	3.7
277.03607	1.0
301.03647	0.7
319.04657	1.8
337.05618	14.3
338.06091	0.7
381.08417	1.1
399.09436	1.5
481.09860	26.7
482.10532	1.4
499.10870	9.6
562.10626	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01949	1.3
57.03545	2.2
58.00426	0.8
58.00673	1.5
59.00968	1.1
59.01159	8.5
59.01494	28.0
61.98641	1.2
61.98933	2.0
69.03574	2.5
69.17596	7.1
71.01076	4.1
71.01514	17.8
71.04794	0.6
71.05107	1.4
72.99380	1.0
73.02636	1.2
73.03074	3.9
75.00984	0.8
80.02773	1.4
81.03590	1.9
83.01064	1.1
83.01527	2.2
83.04627	1.6
83.05167	6.2
84.02272	1.3
85.02527	1.6
85.03098	6.0
87.00972	1.8
89.01980	2.6
89.02592	16.3
92.40556	0.8
95.01500	1.8
95.05162	2.3
96.95598	0.8
96.96164	2.1
97.03092	2.6
97.06743	3.8
99.00975	1.6
99.04677	2.6
99.08238	1.3
101.01884	1.3
101.02596	16.7
108.58806	0.7
109.06754	4.5
111.08287	0.9
112.05424	1.2
113.02608	8.4
115.07805	2.2
118.20831	0.8
119.03650	4.7
123.04684	0.9
123.08274	1.6
125.02606	2.7
125.06178	0.8
125.09724	5.9
127.07825	4.9
127.11383	1.0
128.42923	0.7
129.38017	0.9
131.03674	1.1
135.04700	1.1
135.08339	3.6
137.09845	1.6
138.06970	0.8
139.07732	1.2
141.09450	1.3
143.03629	2.1
149.04718	2.8
153.09210	25.0
155.10744	3.6
161.04588	6.9
163.11253	4.0
165.13008	2.7
171.10262	40.9
178.09988	3.8
178.90009	0.8
179.05774	2.8
181.12451	1.6
183.10272	1.0
183.14014	0.9
185.00925	1.5
185.11803	9.4
185.87750	0.7
191.05766	1.5
191.10927	1.6
191.14560	2.2
193.05170	1.0
193.12297	1.4
197.11809	13.2
199.09869	1.3
206.99841	3.8
207.10339	1.5
209.11819	71.2
210.12318	2.0
211.13379	4.6
225.11453	1.2
227.12982	3.1
235.08250	1.0
236.10655	1.0
237.14888	5.0
238.12172	2.1
245.19086	4.1
249.14995	1.4
253.09282	51.7
254.09480	1.0
255.02997	0.9
256.13110	0.8
263.20160	1.4
265.18219	0.8
267.15988	1.1
279.19687	1.2
289.18094	18.9
293.08777	1.1
297.20676	2.2
307.19135	100.0
308.19348	3.9
325.20172	96.0
326.20581	4.6
326.24734	0.7
381.09711	1.6
399.10928	1.8
407.19092	1.5
474.20966	4.0
501.17273	0.8
501.30606	6.4
519.31055	2.0
543.28076	29.3
544.27856	2.7
561.15369	1.3
561.28857	27.8
562.29913	1.7
576.93579	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2914
Annotation	Atractyloside D
Peak:m/z	Relative Intensity
55.01876	2.3
56.59165	0.3
57.03442	2.6
57.31342	0.3
58.00589	2.2
59.01377	53.4
60.01715	0.4
61.98829	1.0
67.01859	0.3
69.03449	5.2
69.46657	2.0
71.01379	47.7
72.01754	0.3
72.99305	2.8
73.02945	8.9
75.00868	0.5
79.01898	0.4
79.42196	0.3
79.43450	0.3
80.96510	0.8
83.01377	5.1
85.02946	19.2
87.00864	2.5
88.67568	0.3
89.02443	32.8
90.02797	0.3
95.01388	4.9
96.96017	2.7
97.02923	1.9
99.00883	4.7
101.02438	28.4
111.00871	2.3
113.02442	17.0
119.03496	13.7
125.02435	0.8
129.01947	2.8
131.03519	1.4
141.01924	0.9
143.03506	2.5
148.28583	0.3
149.04507	0.9
151.00412	0.4
159.02986	1.7
161.04561	6.2
164.98631	0.3
171.10295	0.8
177.04004	0.6
179.05594	4.3
185.00885	5.2
197.11819	0.8
205.03575	0.3
209.11794	0.8
247.13992	0.3
253.09253	1.5
258.79987	0.3
307.19208	0.3
325.20142	2.6
337.74380	0.3
339.25323	1.0
375.27164	0.5
381.09677	0.4
399.10898	0.5
399.23853	16.1
400.23981	0.6
501.30148	0.7
543.21368	0.5
561.29114	100.0
562.21509	0.5
562.29462	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	561.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97977	0.7
54.17166	0.7
55.01886	1.4
57.03452	2.4
58.00615	0.8
59.01378	100.0
60.01678	0.8
61.98827	17.8
66.62093	0.7
69.03455	1.0
69.46783	4.7
71.01381	23.5
72.99328	0.9
73.02947	9.5
83.01401	3.4
83.05046	0.8
85.02956	11.1
87.00883	2.6
89.02451	8.3
95.01412	2.1
96.96016	3.1
97.02953	4.3
99.00907	2.2
101.02435	18.0
110.90378	0.7
111.00853	0.8
113.02441	9.2
119.03523	1.4
121.76600	0.7
125.02456	0.8
134.03711	1.9
143.03561	0.9
150.29185	0.7
155.10782	7.6
161.04594	2.8
171.10263	8.3
185.11815	0.8
193.05171	1.1
197.11795	1.2
199.09741	4.6
200.10237	0.9
201.11369	1.4
253.09398	3.9
255.02953	1.4
263.20157	6.6
281.21320	2.7
295.22736	7.0
297.24454	2.4
307.19189	1.1
311.22388	0.9
313.23895	5.0
313.27457	1.4
325.20236	5.5
357.26559	2.9
399.11115	1.3
441.28488	1.5
457.28076	3.4
474.82343	0.9
475.28314	9.0
501.30762	2.5
517.30139	70.6
518.30597	3.7
519.31958	3.1
554.68317	0.8
561.32855	81.7
562.33618	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	561.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60921	0.2
58.00588	0.2
59.01107	0.2
59.01376	3.4
61.98826	1.0
69.03453	2.3
69.46564	1.2
71.01379	1.7
73.02949	0.3
78.95887	0.2
79.95727	2.3
83.01396	0.2
85.02953	0.7
89.02438	1.6
95.01398	0.2
96.96006	100.0
97.02939	0.4
99.00889	0.8
101.02439	1.2
108.02150	0.3
113.02419	1.0
114.93345	0.2
119.03475	0.8
123.00841	0.3
123.04498	0.2
124.01637	0.2
125.02347	0.2
130.01981	0.2
131.91269	0.1
135.04524	0.2
138.21013	0.2
143.03592	0.2
161.04561	0.4
165.12814	0.2
171.10272	0.3
178.99843	0.2
179.05569	0.2
183.13896	0.4
185.00894	2.3
197.11867	0.3
209.11757	0.3
211.13383	0.2
227.12955	0.2
253.09299	0.8
314.19531	0.2
325.09540	0.2
325.20175	1.5
357.13382	1.6
381.09662	0.2
399.10892	0.2
399.23944	0.3
439.32501	0.2
463.21927	0.6
501.16632	0.8
501.30341	1.1
561.15173	0.4
561.29102	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71389	0.6
57.03443	0.6
59.01374	1.6
61.98827	1.1
63.96232	1.6
69.57199	3.0
71.01389	8.3
73.02946	2.4
77.57143	0.6
78.95896	4.0
78.98590	7.2
79.95730	10.0
80.96516	70.9
81.03445	0.8
85.02955	3.2
87.00878	2.9
94.98090	14.4
96.96021	4.2
96.96938	0.9
97.02937	1.6
99.00868	1.4
99.30938	0.6
101.02431	1.6
106.98109	3.6
109.02946	0.5
115.00383	0.7
122.97592	3.3
125.02457	2.4
127.04040	1.1
127.11289	0.7
128.24724	0.6
134.22928	0.6
134.97588	5.5
136.99118	1.8
148.99135	7.2
152.98555	4.6
152.99625	1.9
161.04553	1.1
164.98611	11.4
188.98747	0.8
201.11302	3.8
206.99763	2.9
209.11824	3.9
211.45512	0.7
215.12701	0.8
225.00746	25.8
227.12938	0.8
241.01224	2.7
299.04419	3.0
299.97742	0.6
471.15390	0.9
499.14859	1.1
501.16229	0.7
525.16516	1.7
543.17499	52.9
544.17761	2.9
561.18628	100.0
562.18915	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	559.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98152	0.6
55.01875	3.7
57.03449	1.0
59.01381	32.7
61.50404	0.6
61.98833	5.0
67.01892	1.0
68.99561	0.8
69.03455	96.3
70.03761	0.8
71.01385	10.9
71.55331	1.1
72.99300	1.9
73.02950	3.0
78.95913	1.8
79.01877	3.6
79.95755	1.6
83.01383	1.2
85.02949	5.4
85.06601	0.7
87.00877	1.9
89.02437	6.4
95.01385	3.7
95.05003	1.0
96.96011	34.6
97.02945	21.7
97.06606	1.0
99.00877	29.8
99.04526	1.4
99.97676	0.7
101.02441	6.6
109.06594	1.9
113.02448	5.4
115.00378	1.0
117.03493	1.0
118.74147	0.7
119.03491	2.9
122.02413	0.9
123.00919	1.9
125.02455	1.5
125.09748	1.2
125.84698	0.8
133.01419	1.1
134.03738	5.3
135.08183	1.3
141.01929	7.2
143.03455	0.9
151.07631	0.9
151.11205	1.0
152.99556	1.5
153.09247	2.0
155.10843	0.8
159.77206	0.7
161.04526	1.5
171.10237	6.7
179.05682	1.9
185.00908	100.0
185.11896	0.9
186.01236	2.1
189.12903	0.7
193.05013	4.9
197.08188	1.0
197.20276	0.8
211.13412	1.1
212.13799	1.1
215.09142	0.9
229.14407	1.0
243.17496	0.8
249.14850	0.7
253.09227	3.7
265.14474	0.8
277.21698	0.8
285.04037	1.2
287.16528	4.8
293.24802	1.7
305.17676	3.8
323.18594	3.0
331.23932	1.1
337.23801	6.5
361.23764	1.0
373.25928	10.5
383.09750	3.7
397.09061	1.7
447.09698	0.8
448.19571	0.9
460.64975	0.8
499.29141	4.0
521.33392	1.9
523.34644	0.9
541.26624	2.1
559.14465	2.2
559.28387	29.5
560.28424	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	559.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95018	1.1
57.03439	2.6
59.01378	27.1
61.39637	1.2
61.98820	2.4
63.13289	0.9
69.03450	1.7
69.31471	8.8
71.01382	18.2
71.05019	2.2
72.99302	5.1
73.02944	2.8
75.00870	13.6
78.95895	1.7
83.01372	2.1
85.02946	15.8
87.00877	7.1
87.04523	1.9
89.02451	6.0
95.01373	4.4
97.02941	1.8
97.06570	1.3
99.00889	9.1
101.02415	7.4
103.00339	1.9
109.06580	1.6
111.08144	3.4
113.02448	16.3
115.00346	1.8
117.01908	1.4
121.10208	1.1
123.04523	1.2
125.09763	1.3
137.09651	1.5
137.10738	1.0
152.99562	1.9
156.43184	1.0
157.01381	1.8
161.04599	1.5
163.11244	1.9
165.12851	1.9
169.12305	1.7
171.10207	2.7
175.02444	2.0
181.12378	1.5
197.11826	12.1
205.07124	1.3
209.11838	1.9
211.13361	3.5
220.06358	2.3
223.17000	4.4
225.11273	1.9
225.15059	1.8
231.05037	1.3
247.20702	1.8
249.06128	8.7
253.09270	10.8
253.14406	1.4
265.18137	1.5
267.07193	1.6
291.17053	1.4
291.19690	12.8
293.08765	1.3
293.21234	2.0
305.17935	1.2
305.21143	4.0
309.20779	5.8
311.22229	5.8
312.22498	1.3
323.22247	33.7
324.22772	1.2
455.26410	3.7
473.27725	5.6
515.28625	31.5
516.29047	1.5
541.26440	4.6
559.27527	100.0
560.27557	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	559.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
61.98829	0.4
63.66871	0.3
63.96238	1.4
69.03464	0.6
70.56038	0.3
71.01377	5.9
71.06952	0.8
73.02944	1.2
74.05143	0.3
78.98581	4.8
79.95731	7.2
80.96515	51.8
81.03462	0.8
85.02958	2.5
87.00867	2.1
92.32503	0.4
94.98078	13.2
96.95998	2.5
97.02924	1.3
101.02451	2.3
106.98080	2.4
108.52614	0.3
108.99595	0.3
113.02454	0.4
122.97562	3.1
125.02439	2.6
127.03915	0.5
134.97565	3.6
136.99136	1.3
148.99133	5.2
152.98627	4.6
161.04553	0.3
164.98622	9.7
165.00040	0.5
193.76309	0.4
206.99706	2.1
209.11856	2.8
210.97647	0.3
225.00731	16.8
299.04480	2.5
527.18091	3.5
559.20618	100.0
560.20978	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	559.206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51907	0.4
59.01375	3.9
63.96233	0.7
66.15163	0.4
69.03450	0.6
71.01375	6.3
72.99278	0.5
73.02939	1.2
78.85885	0.4
78.98583	4.7
79.95732	7.7
80.96513	51.7
81.03452	1.1
81.89866	0.4
83.22538	0.4
85.02958	1.8
87.00856	2.0
89.02430	0.5
90.61875	0.4
94.98084	12.4
96.95994	2.3
97.02968	1.5
99.00900	0.8
101.02443	2.6
106.32581	0.3
106.98061	2.2
107.01365	0.4
113.02469	0.9
121.02974	0.5
122.97563	5.3
125.02438	4.2
127.04004	0.9
133.01411	0.5
134.97601	3.7
136.99139	1.0
148.99121	4.9
151.00397	2.5
152.98647	6.0
164.98613	8.8
165.01907	1.0
167.00163	0.5
167.03374	0.5
173.02373	0.8
182.99696	2.3
187.04005	2.3
206.99681	2.4
209.11864	2.6
225.00732	19.0
238.63052	0.4
243.01750	1.6
299.04459	3.0
309.04001	1.0
339.04968	0.7
397.09033	0.4
450.25708	0.4
527.18060	3.7
559.20746	100.0
560.20996	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	559.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56059	0.6
59.01390	2.4
61.98828	3.3
69.03429	0.6
69.82844	2.8
71.01376	17.2
72.99321	1.4
73.02964	1.6
76.97298	0.5
78.98605	1.6
79.95728	4.9
80.96513	21.3
85.02975	2.4
87.00901	1.1
87.04491	1.1
89.02451	2.3
93.03473	2.2
94.98080	6.5
95.01387	0.6
96.96033	2.9
97.02975	1.0
99.27212	0.5
101.02441	3.2
106.98112	1.6
113.02445	3.2
115.00366	22.2
119.05021	14.4
119.05811	0.9
121.02977	1.1
122.97602	1.1
125.02413	1.4
128.72607	0.5
131.05066	0.9
133.01422	35.2
134.97586	1.4
136.99164	0.8
137.09691	3.2
143.05019	1.0
145.06621	1.6
148.99156	2.7
152.98631	1.8
155.10771	15.6
155.12036	0.8
161.04541	2.2
163.04001	7.7
164.98621	4.0
169.12317	1.2
181.08678	1.2
193.05042	0.7
195.04454	1.0
197.08131	1.1
199.09755	26.8
199.40417	0.7
206.99722	1.2
209.06102	1.2
211.07581	0.8
213.11340	1.5
221.09613	0.8
222.06741	0.7
225.00717	7.4
237.09193	8.9
238.09615	0.5
239.10802	3.1
241.10840	5.9
271.11829	0.7
283.09753	17.8
284.09967	1.4
299.04584	1.2
301.13007	1.9
316.90796	0.6
327.08710	100.0
328.09009	4.5
343.13977	2.5
347.04736	0.6
361.15042	15.9
394.56314	0.6
403.15894	1.0
443.09778	2.4
513.15973	1.5
541.15894	20.7
542.16364	0.8
552.37860	0.6
559.16968	29.9
560.17389	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	559.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.4
61.98826	5.2
68.40488	0.3
69.34319	2.5
71.01379	13.4
78.95898	0.8
79.26695	0.4
79.95724	0.4
80.02667	0.5
80.96524	1.5
84.95126	1.0
85.85874	0.3
89.02438	0.7
93.03461	4.7
94.98093	0.4
96.96011	5.6
96.99316	0.4
113.02412	0.4
115.00371	15.7
117.03416	0.4
119.05018	23.5
120.05390	0.5
120.54421	0.3
121.02923	0.7
125.02445	0.8
131.04987	0.6
131.07147	1.1
132.05791	0.6
133.01430	5.8
133.02962	0.9
143.05034	4.7
145.06557	1.1
145.61534	0.4
152.99567	0.6
155.10756	5.6
163.03996	11.8
164.04326	0.4
166.06616	0.4
171.04585	0.5
181.06577	0.4
193.04886	0.4
195.04564	0.7
199.09753	8.4
207.10332	0.5
209.06140	0.7
211.07593	1.3
221.09633	0.7
222.06898	0.5
223.07672	1.6
224.08310	0.5
225.11273	0.7
235.07605	1.4
237.09186	9.5
238.09557	0.8
239.10721	3.1
241.01114	0.7
241.10820	0.5
253.08704	0.8
265.08661	5.0
283.09735	13.0
309.07736	2.1
327.08704	100.0
328.08990	4.6
335.63113	0.4
361.14969	4.0
395.72159	0.4
415.89993	0.3
443.09750	2.6
540.37280	0.4
541.16010	0.8
559.17627	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	558.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60764	0.2
53.05771	0.2
59.01375	0.7
60.25722	0.2
61.98829	100.0
69.03476	0.2
69.82585	0.1
70.46191	0.3
70.46560	0.3
71.01393	0.7
79.91988	0.1
89.02435	0.3
96.96013	3.5
97.02965	0.2
98.19962	0.2
115.00387	0.4
116.02507	0.2
126.90429	0.2
196.27757	0.1
270.02979	0.4
284.03357	0.3
431.09705	0.2
558.20129	0.2
558.31360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01155	0.1
59.01381	1.4
61.98824	0.4
63.93535	0.1
65.34879	0.1
69.03430	0.1
71.01378	0.7
71.56110	0.2
73.02930	0.1
74.91593	0.1
78.95869	0.6
79.95736	2.6
80.96503	0.2
85.02950	0.2
89.02443	0.5
93.55905	0.1
96.96008	100.0
97.02905	0.1
101.02422	0.5
101.20982	0.1
103.09417	0.1
107.72968	0.1
113.02435	0.2
115.70488	0.1
119.03542	0.1
135.04495	0.2
151.00401	0.2
172.49165	0.1
178.99887	0.2
179.05446	0.2
185.00926	0.3
284.03235	0.3
299.02335	0.2
299.05728	0.4
308.96472	0.1
352.75278	0.1
353.06671	1.4
359.48328	0.1
397.09006	0.2
468.60019	0.1
499.29233	0.3
559.14130	1.6
559.30780	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	4.6
59.01381	97.8
61.98818	3.9
63.24291	0.8
64.32336	0.7
67.32034	0.7
69.03458	1.8
69.28696	7.5
71.01379	9.7
71.05056	1.0
73.02969	4.5
77.42271	0.8
78.95909	3.7
83.01371	1.8
83.05049	1.0
85.02951	3.9
87.00880	1.3
88.18386	0.8
89.02458	6.0
95.01382	1.2
95.04990	1.0
95.65771	0.9
96.96016	5.0
97.06588	1.1
99.00912	1.0
99.08157	1.5
101.02441	6.6
113.02453	4.7
115.00359	2.0
119.03500	2.0
121.02943	1.9
125.06095	1.3
125.09765	1.7
130.08727	2.7
133.01442	1.1
133.50652	0.9
135.32106	0.8
139.11240	0.9
149.04727	0.8
151.07652	2.4
152.99594	4.3
157.04445	1.0
161.04550	2.7
171.10266	3.5
179.05594	1.7
209.11668	0.8
211.13358	4.0
221.19122	1.4
229.14462	2.0
231.10158	0.9
231.13559	1.6
247.20667	10.7
248.21066	1.0
257.13879	1.1
265.17963	1.1
267.09863	3.4
273.22238	63.7
274.22552	2.9
284.03394	1.9
291.19650	2.3
291.23282	5.7
299.05560	2.0
311.12317	1.4
317.21347	1.0
329.23495	4.6
335.22266	100.0
336.22565	5.5
357.26541	3.0
359.22284	20.6
359.27121	1.4
360.22720	1.1
377.23206	2.4
389.23166	1.7
401.23721	1.0
490.98981	0.8
495.22421	1.0
497.27594	3.9
513.27063	9.1
515.28064	1.3
557.27795	20.7
558.28528	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	557.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	4.6
59.01381	97.8
61.98818	3.9
63.24291	0.8
64.32336	0.7
67.32034	0.7
69.03458	1.8
69.28696	7.5
71.01379	9.7
71.05056	1.0
73.02969	4.5
77.42271	0.8
78.95909	3.7
83.01371	1.8
83.05049	1.0
85.02951	3.9
87.00880	1.3
88.18386	0.8
89.02458	6.0
95.01382	1.2
95.04990	1.0
95.65771	0.9
96.96016	5.0
97.06588	1.1
99.00912	1.0
99.08157	1.5
101.02441	6.6
113.02453	4.7
115.00359	2.0
119.03500	2.0
121.02943	1.9
125.06095	1.3
125.09765	1.7
130.08727	2.7
133.01442	1.1
133.50652	0.9
135.32106	0.8
139.11240	0.9
149.04727	0.8
151.07652	2.4
152.99594	4.3
157.04445	1.0
161.04550	2.7
171.10266	3.5
179.05594	1.7
209.11668	0.8
211.13358	4.0
221.19122	1.4
229.14462	2.0
231.10158	0.9
231.13559	1.6
247.20667	10.7
248.21066	1.0
257.13879	1.1
265.17963	1.1
267.09863	3.4
273.22238	63.7
274.22552	2.9
284.03394	1.9
291.19650	2.3
291.23282	5.7
299.05560	2.0
311.12317	1.4
317.21347	1.0
329.23495	4.6
335.22266	100.0
336.22565	5.5
357.26541	3.0
359.22284	20.6
359.27121	1.4
360.22720	1.1
377.23206	2.4
389.23166	1.7
401.23721	1.0
490.98981	0.8
495.22421	1.0
497.27594	3.9
513.27063	9.1
515.28064	1.3
557.27795	20.7
558.28528	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	557.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.3
59.01377	10.5
61.98577	0.2
61.98832	2.3
69.03448	0.3
69.29364	2.0
71.01377	3.1
72.99307	0.2
73.02930	1.3
78.95895	1.1
79.95735	2.7
83.01360	0.5
85.02934	0.5
87.00866	0.4
87.04516	0.3
89.02447	0.9
96.96008	100.0
98.95615	0.3
99.00882	0.2
99.04490	0.3
101.02443	1.6
113.02447	1.3
115.00414	0.6
115.92052	0.3
116.92858	0.8
122.02469	0.5
133.01456	0.4
135.04512	0.4
139.11288	0.3
152.99602	1.2
155.10722	0.2
161.04597	0.3
171.10262	1.2
175.07707	0.2
205.15540	0.2
211.13383	0.7
229.14554	0.3
231.10245	0.2
247.17072	0.4
249.11186	0.4
273.18604	0.4
291.19644	0.3
329.23221	1.1
335.22238	0.8
353.23044	0.3
497.28107	0.5
505.83466	0.2
513.27325	0.9
515.28967	0.5
521.33380	0.5
557.29193	8.3
558.27972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	45.1
60.01714	0.7
61.98824	2.4
69.03458	0.9
69.55191	0.4
69.55502	3.2
71.01374	6.6
72.99312	0.5
73.02944	3.5
78.95894	2.0
79.95723	1.4
84.02834	0.5
85.02947	1.6
87.00861	0.4
89.02448	2.0
95.01405	0.6
96.96010	59.6
97.02958	0.6
98.19895	0.9
98.95578	0.6
99.04549	0.5
101.02454	4.5
109.06529	0.4
112.50948	0.4
113.02452	2.7
115.00378	1.0
116.92861	1.2
119.03488	1.5
121.02988	0.7
122.02460	1.0
133.01425	0.7
135.04459	0.6
137.09732	0.9
139.11250	0.6
141.12799	0.5
142.19736	0.4
143.03563	0.5
146.21512	0.5
152.99550	1.1
159.42397	0.4
161.04576	0.8
171.10237	1.4
178.26654	0.4
179.91171	0.5
189.12859	0.8
191.79745	0.5
211.13403	1.4
229.14420	0.7
245.19208	0.6
247.17046	0.8
257.19101	0.7
259.20767	0.8
261.22058	0.9
273.18951	0.8
273.22238	13.0
289.21680	1.1
291.19907	0.5
291.23209	0.5
293.21179	0.6
317.21213	1.7
321.20673	1.1
329.23215	1.9
335.22263	100.0
336.22549	4.3
349.23828	0.9
359.22397	1.6
359.27960	9.0
377.23163	1.6
453.24796	0.8
471.25745	1.1
497.27243	0.9
513.26947	7.5
514.27283	0.6
557.29193	8.1
558.30042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	42.8
60.88893	4.8
61.98828	43.8
71.01379	45.2
71.02299	4.4
71.55947	8.8
73.02931	8.2
82.95416	6.5
85.02921	6.3
89.02429	12.1
95.34780	4.7
96.96011	72.1
98.95611	31.3
98.96204	5.2
101.02445	15.1
113.02402	10.6
115.00389	11.7
115.92071	13.9
116.92857	49.2
121.02933	10.5
125.02355	6.0
133.01384	9.0
134.03752	5.5
151.03966	13.8
172.06541	4.8
187.07687	6.5
233.07991	7.1
238.05936	5.4
246.08917	6.0
269.08261	17.2
270.08569	18.3
306.76929	5.8
329.13599	6.0
368.15750	8.1
423.16840	12.7
441.17599	11.2
463.54861	5.4
476.16159	6.3
491.19177	100.0
503.19196	83.2
504.19510	9.1
521.20081	28.1
522.20679	6.9
557.18549	10.1
557.30658	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	557.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.1
61.98819	1.4
71.01385	1.8
71.56279	0.3
73.02250	0.2
73.02942	1.0
74.65292	0.2
77.29740	0.2
77.61670	0.2
77.66692	0.2
78.28330	0.2
78.95905	1.1
79.95737	3.2
85.02963	0.5
87.87153	0.2
88.01459	0.2
89.02461	0.7
95.05077	0.2
96.96015	100.0
101.02445	0.8
101.65619	0.2
113.02451	0.7
121.02986	0.5
133.01424	0.3
139.11249	0.3
152.99615	0.7
161.04581	0.2
171.10333	0.6
187.36998	0.2
211.13402	0.3
217.29086	0.2
291.19763	0.8
317.20828	0.3
329.23428	0.8
335.22253	5.4
357.26553	2.2
359.27484	0.3
455.26190	0.2
475.28888	0.2
493.47949	0.3
497.27493	0.4
513.27026	2.3
521.32983	0.3
557.18518	0.4
557.27948	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	556.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84799	0.5
60.02727	0.5
61.98831	1.3
71.01379	2.0
78.95906	23.7
78.98617	1.0
79.95736	3.2
79.96153	0.5
80.96518	17.5
81.96466	0.7
85.02966	0.6
94.98096	4.3
98.19852	1.3
106.98129	0.9
122.97604	1.3
134.97594	1.5
148.99142	1.1
152.98671	1.2
152.99590	2.7
164.98656	2.6
168.04347	4.0
211.13350	0.9
224.06929	8.4
225.00742	3.7
226.01149	0.6
242.07927	1.6
281.24850	100.0
282.25195	4.2
481.25851	0.8
482.25925	1.5
506.32489	74.7
507.32693	5.0
556.28705	33.3
557.28137	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	557.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	42.8
60.88893	4.8
61.98828	43.8
71.01379	45.2
71.02299	4.4
71.55947	8.8
73.02931	8.2
82.95416	6.5
85.02921	6.3
89.02429	12.1
95.34780	4.7
96.96011	72.1
98.95611	31.3
98.96204	5.2
101.02445	15.1
113.02402	10.6
115.00389	11.7
115.92071	13.9
116.92857	49.2
121.02933	10.5
125.02355	6.0
133.01384	9.0
134.03752	5.5
151.03966	13.8
172.06541	4.8
187.07687	6.5
233.07991	7.1
238.05936	5.4
246.08917	6.0
269.08261	17.2
270.08569	18.3
306.76929	5.8
329.13599	6.0
368.15750	8.1
423.16840	12.7
441.17599	11.2
463.54861	5.4
476.16159	6.3
491.19177	100.0
503.19196	83.2
504.19510	9.1
521.20081	28.1
522.20679	6.9
557.18549	10.1
557.30658	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	557.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	48.4
61.98830	56.6
67.04327	4.9
69.75185	24.8
71.01383	40.1
73.02924	12.2
80.96497	5.5
83.01408	5.3
85.02888	7.1
87.00874	6.8
88.41354	5.0
89.02446	15.0
96.96011	78.9
97.03034	5.0
98.20586	9.8
98.95587	23.9
98.96448	5.3
99.00838	5.7
99.92559	9.4
101.02438	18.2
113.02427	9.6
115.00349	20.0
115.92065	15.6
116.92862	63.5
121.02952	10.0
133.01413	14.5
151.03969	17.3
152.04323	5.0
179.05664	4.6
187.07646	7.5
203.23251	4.9
204.36610	4.9
239.91278	5.1
241.00232	6.3
253.05055	5.1
255.06230	7.7
269.08148	13.5
270.08417	10.7
326.11523	6.3
329.14005	6.1
341.13870	8.6
361.16397	5.3
368.15616	5.4
464.98331	6.9
476.16876	11.0
491.19208	100.0
503.19266	83.9
504.19897	6.5
521.19800	26.0
557.18451	22.0
557.30469	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	556.146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02677	1.3
59.01375	10.2
61.98830	50.0
67.78044	1.2
69.03449	1.8
69.17482	6.4
69.17915	6.7
71.01009	1.9
71.01382	36.2
72.01737	1.9
72.99297	2.1
78.95901	3.5
80.96529	1.4
82.46243	1.3
85.02950	2.6
87.00856	1.3
89.02440	4.2
96.96014	9.5
97.02967	1.9
97.06602	2.5
101.02454	3.8
108.02185	1.9
109.02940	3.6
115.00371	35.9
116.92814	3.6
123.04548	2.8
127.07681	2.0
133.01424	17.8
134.03740	1.3
135.04538	16.2
137.02438	6.8
145.02928	1.6
146.03694	2.2
147.04495	7.5
150.03218	1.7
151.03999	18.1
157.06577	1.9
159.04494	3.7
160.03987	1.5
161.04750	2.1
162.05559	3.1
163.03876	1.5
165.01938	1.2
167.05814	2.6
171.04498	2.4
171.06668	1.6
173.06139	2.1
175.04005	9.5
175.52667	1.6
176.01233	1.4
176.07141	5.3
177.01941	3.7
185.06018	2.5
186.06859	4.2
187.07539	2.1
197.06081	1.5
199.07605	1.4
202.08640	1.3
206.07231	1.8
207.08041	3.7
209.06088	2.2
222.06711	1.6
223.07478	1.4
225.05527	5.4
226.06375	3.4
227.07066	1.6
235.07597	1.8
237.05521	5.1
238.06294	5.3
239.07109	5.2
240.04227	2.6
240.07837	2.4
241.04942	2.0
251.03491	1.3
251.07118	12.1
252.07785	3.1
253.05083	12.0
253.07509	1.7
253.08757	2.0
254.05795	11.1
255.06601	12.3
255.10239	2.7
261.12766	1.5
263.06998	3.2
264.07950	2.1
265.05087	1.7
265.12445	1.3
266.05856	10.1
267.06650	7.4
268.07382	1.6
269.04553	2.3
269.08179	22.9
270.04916	3.4
270.08676	1.5
277.05084	1.6
277.08511	2.0
277.12292	3.7
278.05939	1.7
278.09286	2.1
279.10229	2.5
280.03833	1.8
280.07333	1.5
281.04544	1.9
281.07877	1.9
282.08844	1.8
283.09555	4.6
284.09219	4.7
285.61942	1.6
287.10620	2.1
289.08664	2.9
289.12033	2.2
291.10269	2.7
292.07269	2.9
293.11725	7.0
295.08530	2.2
297.10013	5.8
298.10791	15.9
299.11588	5.6
303.09970	3.0
305.08533	2.3
305.11615	7.2
306.08847	2.0
307.09668	7.7
307.13327	10.5
309.11426	4.8
315.10193	5.5
317.08160	3.1
321.11322	33.4
323.08975	3.9
323.12799	2.9
333.11298	32.3
334.11349	1.7
335.09262	30.1
336.09573	1.6
339.12299	5.5
339.15836	1.6
343.10571	13.0
350.14026	4.8
351.12262	5.0
352.11832	2.5
367.15451	10.1
378.13428	58.5
379.13699	2.5
380.11276	11.4
395.11307	30.5
396.14313	6.4
396.18863	1.9
410.12311	1.8
411.14377	1.8
440.13266	100.0
441.13785	5.4
493.30136	2.8
556.27820	2.6
557.30945	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	556.146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02677	1.3
59.01375	10.2
61.98830	50.0
67.78044	1.2
69.03449	1.8
69.17482	6.4
69.17915	6.7
71.01009	1.9
71.01382	36.2
72.01737	1.9
72.99297	2.1
78.95901	3.5
80.96529	1.4
82.46243	1.3
85.02950	2.6
87.00856	1.3
89.02440	4.2
96.96014	9.5
97.02967	1.9
97.06602	2.5
101.02454	3.8
108.02185	1.9
109.02940	3.6
115.00371	35.9
116.92814	3.6
123.04548	2.8
127.07681	2.0
133.01424	17.8
134.03740	1.3
135.04538	16.2
137.02438	6.8
145.02928	1.6
146.03694	2.2
147.04495	7.5
150.03218	1.7
151.03999	18.1
157.06577	1.9
159.04494	3.7
160.03987	1.5
161.04750	2.1
162.05559	3.1
163.03876	1.5
165.01938	1.2
167.05814	2.6
171.04498	2.4
171.06668	1.6
173.06139	2.1
175.04005	9.5
175.52667	1.6
176.01233	1.4
176.07141	5.3
177.01941	3.7
185.06018	2.5
186.06859	4.2
187.07539	2.1
197.06081	1.5
199.07605	1.4
202.08640	1.3
206.07231	1.8
207.08041	3.7
209.06088	2.2
222.06711	1.6
223.07478	1.4
225.05527	5.4
226.06375	3.4
227.07066	1.6
235.07597	1.8
237.05521	5.1
238.06294	5.3
239.07109	5.2
240.04227	2.6
240.07837	2.4
241.04942	2.0
251.03491	1.3
251.07118	12.1
252.07785	3.1
253.05083	12.0
253.07509	1.7
253.08757	2.0
254.05795	11.1
255.06601	12.3
255.10239	2.7
261.12766	1.5
263.06998	3.2
264.07950	2.1
265.05087	1.7
265.12445	1.3
266.05856	10.1
267.06650	7.4
268.07382	1.6
269.04553	2.3
269.08179	22.9
270.04916	3.4
270.08676	1.5
277.05084	1.6
277.08511	2.0
277.12292	3.7
278.05939	1.7
278.09286	2.1
279.10229	2.5
280.03833	1.8
280.07333	1.5
281.04544	1.9
281.07877	1.9
282.08844	1.8
283.09555	4.6
284.09219	4.7
285.61942	1.6
287.10620	2.1
289.08664	2.9
289.12033	2.2
291.10269	2.7
292.07269	2.9
293.11725	7.0
295.08530	2.2
297.10013	5.8
298.10791	15.9
299.11588	5.6
303.09970	3.0
305.08533	2.3
305.11615	7.2
306.08847	2.0
307.09668	7.7
307.13327	10.5
309.11426	4.8
315.10193	5.5
317.08160	3.1
321.11322	33.4
323.08975	3.9
323.12799	2.9
333.11298	32.3
334.11349	1.7
335.09262	30.1
336.09573	1.6
339.12299	5.5
339.15836	1.6
343.10571	13.0
350.14026	4.8
351.12262	5.0
352.11832	2.5
367.15451	10.1
378.13428	58.5
379.13699	2.5
380.11276	11.4
395.11307	30.5
396.14313	6.4
396.18863	1.9
410.12311	1.8
411.14377	1.8
440.13266	100.0
441.13785	5.4
493.30136	2.8
556.27820	2.6
557.30945	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62164	0.9
59.01376	12.6
61.98831	5.8
69.03474	1.1
71.01381	12.8
72.99294	3.9
73.02935	1.4
75.00876	1.0
80.02650	1.2
80.96509	1.0
81.03431	1.2
83.01365	1.2
83.05021	4.8
85.02942	2.2
87.00880	1.7
88.98811	4.9
89.02450	5.1
95.47626	0.9
96.96025	9.2
97.02938	1.8
97.06570	1.2
101.02425	5.3
106.68569	0.9
113.02414	3.1
115.00371	6.0
119.03473	1.9
119.05019	1.8
123.04510	1.1
125.06125	0.8
127.07676	1.2
133.01402	5.2
133.05064	0.9
150.03227	1.2
151.03972	3.8
161.04547	2.1
163.03984	1.7
163.11246	3.2
165.05585	1.9
165.12787	1.7
171.06537	1.1
171.20609	0.9
191.10773	1.2
202.06435	1.0
205.23135	0.9
209.11818	100.0
210.12117	2.9
215.07198	1.0
227.12885	15.8
231.10199	0.9
235.08234	1.4
241.08641	1.0
248.00121	0.9
253.05103	2.1
253.09239	16.1
254.05725	2.7
255.06702	1.9
255.10217	1.1
257.07657	1.0
269.08176	5.3
270.08841	1.7
273.11124	1.3
273.15030	0.9
287.13071	1.1
301.10922	1.4
301.14435	1.7
305.79160	0.9
345.17068	2.1
367.15390	2.1
403.13931	10.8
421.14627	4.5
439.15048	1.3
440.17270	2.2
445.20612	2.7
470.30316	1.2
507.20175	3.2
555.19580	1.0
555.33484	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90260	0.2
59.01376	2.4
59.48239	0.2
61.58299	0.2
61.98821	0.4
69.39902	1.6
71.01374	1.7
72.99277	0.3
78.95892	0.5
79.95737	2.9
83.05036	0.4
83.80058	0.2
88.98792	0.3
89.02457	0.3
93.82057	0.2
96.96005	100.0
101.02409	0.5
114.93359	0.5
115.00376	0.6
119.03464	0.2
133.01424	0.4
151.04037	0.4
161.04538	0.3
163.11263	0.4
175.77495	0.2
209.11815	12.7
210.12172	0.3
227.12811	2.0
253.09201	1.3
269.08041	0.4
367.15289	0.4
371.15540	0.3
403.13882	0.7
411.14584	0.3
421.14893	0.5
445.21115	0.5
555.17407	0.3
555.32849	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.0
61.98832	0.4
69.44508	1.2
71.01370	1.0
73.53047	0.1
78.95908	0.3
79.95740	3.1
82.95416	0.3
85.02936	0.2
85.69968	0.2
95.76868	0.2
96.96009	100.0
97.02946	0.4
97.95931	0.2
114.93406	0.7
115.00364	0.7
119.05092	0.2
122.77931	0.2
133.01422	0.3
149.02374	0.2
149.34241	0.2
150.03265	0.3
159.04480	0.2
163.03967	0.2
165.05582	0.3
171.10254	0.3
175.04070	0.3
178.02773	0.2
195.06638	0.2
200.08487	0.2
215.09210	0.3
217.09097	0.2
263.85663	0.2
269.04568	0.3
269.08014	0.2
306.07321	0.2
327.15924	0.2
329.13779	0.2
354.36908	0.2
371.14938	0.3
380.11642	0.2
413.22000	0.3
439.14297	0.5
440.13440	0.3
464.19812	0.2
477.19223	0.4
525.21216	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28150	0.1
55.88582	0.1
58.20161	0.2
59.01379	21.8
60.00974	0.2
61.98837	0.5
63.89911	0.2
70.18719	0.6
71.01369	0.2
78.95904	17.4
78.98589	0.2
79.95736	0.3
80.96516	1.4
83.51406	0.2
94.98093	0.3
96.96957	0.3
102.76716	0.2
107.23001	0.1
107.58770	0.1
122.98547	0.4
141.61148	0.2
152.98471	0.1
152.99591	2.4
164.98628	0.5
168.04309	2.9
184.11186	0.2
194.05885	0.2
224.06918	8.4
225.00589	0.2
242.07965	1.7
252.30751	0.2
255.23277	100.0
256.23618	3.6
351.54861	0.2
431.34900	0.2
435.08691	0.2
480.30920	65.1
481.31204	3.4
495.27365	0.3
554.27112	2.5
555.28064	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46943	0.3
59.01361	0.8
63.72636	0.3
66.51418	0.3
69.97943	0.6
69.98331	0.8
78.08384	0.3
78.95901	21.8
96.96960	0.3
111.32046	0.3
118.56600	0.3
134.98471	0.4
152.99568	2.5
168.04283	3.1
194.05846	0.3
200.78461	0.3
219.57228	0.3
224.06918	9.8
235.43936	0.3
242.07956	2.2
252.60649	0.3
279.23267	100.0
280.23615	3.5
298.13721	0.3
436.59604	0.3
454.33981	1.3
471.34702	0.9
472.35046	4.4
504.30948	76.2
505.31281	4.0
553.34814	0.4
554.27423	0.6
554.35455	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	554.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87687	0.2
56.25178	0.2
57.67537	0.2
59.01369	1.1
61.98816	0.8
67.44248	0.2
70.45474	0.6
78.95905	6.1
88.56792	0.2
152.99593	1.0
168.04289	1.4
224.06891	0.9
242.07948	2.5
243.32474	0.2
261.22208	0.4
277.21719	0.3
279.23254	100.0
280.23618	4.2
338.30008	0.2
419.68106	0.2
453.28592	0.5
504.30911	45.1
505.31201	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	554.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72409	0.4
59.01378	15.7
61.98829	2.5
70.76356	0.8
71.01347	0.4
78.95907	5.0
78.98597	0.3
79.95747	0.3
80.96520	2.7
94.98077	0.8
96.95951	0.4
98.20688	0.4
101.38296	0.4
141.23100	0.4
152.99565	1.6
154.60397	0.3
164.98544	0.6
168.04341	1.6
202.61223	0.4
224.06943	1.1
242.07939	2.7
255.23273	100.0
256.23587	3.3
279.23209	1.9
356.12198	0.4
471.34973	0.9
472.28336	0.5
472.35104	10.5
480.30911	39.1
481.31299	1.9
504.30978	1.3
554.27136	5.5
554.35468	8.9
555.35596	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.9
59.45248	1.3
61.98534	2.1
61.98827	27.9
63.19224	1.5
71.01376	5.1
75.27377	1.4
77.36922	1.4
78.98582	4.8
79.95729	9.2
80.96512	53.5
87.00874	1.7
94.98083	11.0
96.10923	1.2
96.95975	2.3
98.20654	3.8
101.02412	2.3
106.13473	1.3
106.98086	3.1
122.97589	2.1
125.02366	1.9
134.97566	3.6
148.99126	3.5
152.98584	5.3
164.98627	8.3
185.33299	1.5
196.98228	1.7
206.99686	1.9
225.00742	14.5
253.21681	1.8
255.23344	2.7
299.04294	2.8
308.11279	1.4
471.34747	89.9
472.34967	5.5
480.31061	1.4
553.26709	100.0
553.35052	60.5
554.27094	7.4
554.35468	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	553.3513
Annotation	Muscanone
Peak:m/z	Relative Intensity
59.01372	1.7
59.72404	0.7
61.98825	2.1
63.51515	0.6
69.23633	4.6
69.24039	1.6
71.05013	2.1
74.62720	0.6
78.95895	2.3
80.96511	2.9
85.46716	0.6
94.57053	0.6
96.95988	1.5
101.73698	0.8
112.17501	0.6
129.96849	0.8
156.30779	0.6
211.13518	0.7
263.87466	0.8
279.23309	6.7
342.31326	0.7
350.08685	0.8
368.76633	0.7
405.31549	1.0
411.32587	2.1
427.35959	1.4
453.33801	19.1
454.34457	1.2
471.34796	80.7
472.35272	5.5
479.29193	0.9
504.30637	4.8
527.94055	0.9
553.27643	5.2
553.35089	100.0
554.35437	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	553.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72315	0.6
59.01380	4.1
61.98833	4.5
69.03467	0.6
71.01379	1.6
78.95909	2.7
79.95751	0.6
80.96524	1.2
85.02945	0.6
96.96034	1.3
97.15959	0.5
101.02409	0.5
115.00389	0.8
121.03009	0.6
133.01447	0.6
134.03708	0.7
135.04533	0.8
137.02417	0.7
140.54886	0.6
152.99577	3.3
155.10782	1.0
164.98700	0.5
175.83775	0.5
178.02731	0.8
179.03510	0.7
185.11844	2.1
217.10760	0.9
239.11089	0.6
245.04239	0.7
253.08746	1.5
254.09540	0.7
376.56360	0.6
389.21820	0.6
455.31241	0.6
466.22943	1.1
521.18256	0.6
535.62268	0.5
553.29456	100.0
554.22217	1.0
554.29883	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	553.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31178	0.3
58.39635	0.3
59.01373	1.6
61.98801	0.4
69.22446	0.6
69.22852	2.4
71.01376	1.1
72.99306	9.2
78.91901	0.6
85.02983	0.4
89.02457	1.2
90.03993	0.3
91.05532	0.5
96.96011	1.3
101.02425	0.5
101.03999	0.5
103.05541	1.2
112.04108	0.3
113.02473	0.6
115.97078	0.3
119.03598	0.6
119.05026	11.4
121.02938	2.0
121.06526	0.3
135.05678	0.3
141.36188	0.3
147.04518	46.1
148.04848	0.7
165.05560	100.0
166.05908	2.3
233.85020	0.4
314.71182	0.4
343.11948	0.3
493.22507	0.3
553.22577	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67120	0.6
57.03446	0.8
59.01377	22.6
61.98822	1.1
69.99437	0.7
71.01378	11.7
71.54826	1.0
72.99311	1.1
73.02951	2.2
85.02938	3.0
87.00888	0.8
89.02440	10.4
93.03462	1.2
95.01390	1.4
96.95980	2.6
101.02435	7.7
103.94134	0.7
108.02168	1.6
109.02951	0.6
113.02435	5.2
119.03500	3.9
119.05013	1.9
121.02953	12.9
122.03717	2.8
123.04520	5.8
124.01668	1.0
133.02942	2.6
134.03732	2.2
135.04550	5.1
136.01617	0.8
136.05304	13.5
137.06041	2.7
143.03546	1.2
147.04529	1.0
149.02446	13.3
149.06006	1.6
150.03215	51.1
151.04010	15.0
151.07628	2.3
155.10748	4.1
155.25494	0.6
161.04544	2.0
163.04007	1.0
164.04753	6.0
165.01920	6.4
165.05560	30.3
166.05894	0.8
179.05623	3.6
180.04309	2.6
181.05042	5.3
193.05119	1.8
194.05518	0.8
195.06622	36.7
196.06909	1.1
199.09761	3.3
205.91364	0.8
223.07545	0.7
241.08711	1.2
267.06744	0.7
269.08301	0.9
279.06638	0.6
283.09717	5.4
284.10327	0.7
299.09262	1.1
310.08594	0.8
311.09229	10.8
316.09424	0.8
323.13058	1.1
331.11658	0.7
343.11826	63.5
344.11957	3.7
367.11783	4.0
385.12714	1.3
391.13962	100.0
392.14087	4.0
415.14014	1.8
433.14926	1.5
433.24451	0.9
445.53616	0.8
487.50031	0.8
493.22812	9.8
494.23605	1.0
547.51245	0.8
553.18964	9.7
553.27301	0.8
554.18488	0.9
554.26880	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	552.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50484	0.7
55.45409	0.7
59.01374	1.4
61.98831	1.3
75.20884	0.7
78.95909	7.8
84.60983	0.7
97.72433	0.7
98.20763	1.2
129.21233	0.6
152.99632	2.0
168.04337	1.8
224.06900	0.9
242.07993	3.1
260.94180	0.7
277.21716	100.0
278.22101	4.2
394.60181	0.7
502.29431	48.2
503.29782	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	552.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63263	0.4
59.01366	1.9
61.98827	1.0
65.28061	0.4
71.01367	0.7
78.95905	28.9
91.26100	0.6
136.29849	0.5
152.99593	3.5
154.37404	0.5
159.80342	0.5
163.27306	0.5
168.04277	4.6
224.04855	0.8
224.06927	10.5
233.22820	0.8
242.07994	3.5
253.21709	1.2
255.93681	0.6
275.49734	0.5
277.21707	100.0
278.22086	3.2
291.45819	0.5
502.29385	97.2
503.29657	5.4
520.54535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05990	0.1
59.01381	1.6
61.98822	0.9
65.57626	0.1
69.03450	0.1
71.01376	0.7
71.55051	0.1
72.99313	0.3
73.02933	0.4
75.00880	0.3
77.46254	0.1
78.95891	0.3
79.95737	2.4
81.76658	0.1
85.02940	0.3
87.00845	0.2
88.98805	0.2
89.02446	0.5
95.13435	0.1
96.96011	100.0
97.95958	0.2
101.02439	0.5
113.02433	0.4
113.92579	0.1
114.93400	0.4
115.00375	0.3
119.03545	0.2
121.02977	0.2
133.01454	0.4
141.01611	0.1
148.24615	0.1
149.06065	0.1
160.01582	0.2
165.05556	0.1
167.03506	0.1
171.10306	0.2
179.03503	0.2
187.03996	0.2
187.07520	0.1
193.05125	0.2
203.07118	0.3
204.07874	0.1
212.69392	0.1
215.07144	0.2
215.09161	0.2
231.06531	0.2
271.18674	0.1
275.28064	0.1
317.12683	0.1
377.14563	0.2
393.13394	0.1
461.20920	0.1
467.16183	0.2
546.64325	0.1
552.31342	0.8
553.23285	0.3
553.31616	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.0
61.98825	1.1
69.21946	2.4
69.22346	1.0
71.01379	2.6
73.02931	0.8
74.89069	0.4
76.16657	0.4
85.02950	0.5
89.02426	2.2
98.20647	0.9
101.02432	3.0
113.02413	1.5
119.03475	0.8
130.12366	0.4
155.75514	0.4
161.04530	1.5
179.05655	0.5
179.25220	0.4
211.20775	0.4
235.08260	2.4
253.09286	14.1
254.09497	0.6
255.23280	100.0
256.23611	4.7
411.36093	0.5
491.31805	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24337	5.3
61.98830	100.0
63.87948	6.1
74.41311	5.7
79.40961	6.1
92.42323	5.3
96.96008	17.1
126.58894	6.2
247.04927	6.8
253.21805	11.3
279.23285	15.1
314.37686	6.7
324.63953	6.5
342.39520	5.9
503.75525	6.7
547.92871	6.7
551.30530	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	551.3073
Annotation	Lanceolitol B2
Peak:m/z	Relative Intensity
53.58102	0.4
55.01868	0.6
57.03440	1.0
58.00579	1.1
59.01379	35.2
61.98818	1.1
62.44776	0.4
69.17384	0.4
71.01381	13.9
72.99298	1.2
73.02946	4.1
75.00861	0.9
83.01389	1.3
83.05049	0.5
85.02940	4.5
86.37624	0.3
87.00878	1.7
87.04512	1.3
88.98782	0.7
89.02441	12.7
95.01378	1.4
96.96006	1.6
97.06604	1.0
99.00880	1.0
101.02445	9.8
111.08167	0.7
113.02441	6.0
115.00343	0.5
119.03499	4.8
123.08144	0.9
125.09719	3.5
127.11275	0.5
129.05597	1.9
133.01468	0.7
139.07666	0.6
141.09286	0.5
143.03464	0.7
153.09258	0.8
155.10764	1.0
157.08734	0.5
160.01685	0.5
161.04541	1.7
169.12315	0.6
171.10271	7.0
179.05571	0.7
199.09723	0.4
201.11316	20.6
202.11652	0.9
209.11801	0.9
227.12825	0.5
293.21375	2.0
301.24118	0.5
311.22299	1.2
323.22171	0.4
329.23340	0.7
341.10284	2.5
341.23038	0.7
353.23355	3.0
356.12567	0.6
359.24246	0.6
371.14893	2.4
371.24377	2.4
379.19641	1.1
389.25415	7.7
421.24112	1.1
491.28656	1.4
520.98523	0.6
521.29584	4.2
533.29626	11.3
546.56006	0.5
551.30701	100.0
552.30890	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97610	13.9
59.01353	13.8
61.98827	100.0
70.28160	57.9
75.61445	12.8
77.27866	15.7
78.95897	24.6
96.96014	58.9
194.96751	13.4
210.89873	13.5
223.09120	14.1
241.37378	13.7
279.23218	49.2
375.49542	19.5
431.95236	15.0
469.33023	21.2
504.00455	15.4
551.30127	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73259	0.2
59.01380	0.6
61.98836	0.3
63.78864	0.2
66.91266	0.2
69.18462	1.0
69.18884	0.9
71.01403	0.2
72.99302	8.3
87.00831	0.2
89.02389	0.2
91.05546	0.3
96.96034	0.5
101.03976	0.4
103.05534	1.5
117.03475	0.4
119.05023	11.2
121.02940	1.8
147.04517	45.9
148.04881	0.9
161.04794	0.2
165.01961	1.7
165.05560	100.0
166.05850	1.7
198.79494	0.2
272.92560	0.2
285.86353	0.2
314.76682	0.2
339.31537	0.2
342.58298	0.2
446.65637	0.2
526.20654	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91006	0.8
55.01870	1.2
57.03431	1.1
59.01378	82.7
61.98821	4.1
71.01376	12.8
71.55053	1.4
72.99291	2.1
73.02949	5.2
75.00883	1.8
83.01385	3.6
85.02949	5.8
87.00861	2.4
88.58901	0.8
88.98804	1.3
89.02435	3.2
96.96015	4.8
97.02938	1.3
99.00864	2.3
101.02434	12.3
111.00896	1.1
113.02420	4.9
115.00347	1.4
116.92834	2.6
121.06576	1.2
133.01436	1.8
149.04672	0.8
159.02942	1.0
161.04486	1.4
169.12315	0.9
201.11295	1.5
250.42545	0.9
285.03650	1.6
285.20721	1.1
286.03806	1.6
287.04166	1.3
293.07071	0.9
300.05887	1.9
301.06015	4.2
301.20197	1.1
302.06393	1.6
303.06696	1.5
303.21765	1.1
322.55112	1.0
329.23404	6.2
351.21790	2.9
371.24234	1.5
373.25876	1.1
386.93228	0.8
389.25464	8.2
402.45325	1.0
405.24808	2.2
416.34320	0.9
447.25821	5.2
459.30331	1.7
463.24820	1.1
465.26941	6.1
489.26895	3.3
507.28058	100.0
508.28329	8.4
551.23077	1.2
551.30969	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.6
59.01381	10.6
60.01715	0.9
61.98822	2.3
69.03442	4.8
71.01373	5.4
71.05025	0.6
71.55251	0.6
73.02948	2.7
78.95905	1.2
79.01892	1.2
79.95755	0.6
82.65289	0.5
85.02950	1.4
87.00880	5.3
89.02431	1.2
95.01379	1.9
96.96013	3.3
96.96986	0.6
97.02948	47.0
97.06598	0.6
99.00884	0.7
101.02435	0.9
111.08176	0.7
113.02458	1.8
113.05897	0.5
115.00397	2.7
123.00860	2.6
133.01422	3.3
135.04567	0.8
135.08171	1.7
137.09721	7.1
139.11293	3.1
141.01912	1.3
152.99631	0.9
155.10774	100.0
156.11104	2.0
157.21925	0.5
172.05254	0.8
173.05972	0.6
183.10272	15.9
185.00954	1.1
185.11830	1.5
186.06862	1.1
187.07651	1.4
199.09744	97.5
200.04782	0.8
200.10175	2.4
201.05577	0.7
201.09271	0.6
209.11844	0.9
211.07578	1.4
214.06346	1.9
215.07045	1.2
229.08722	1.6
230.09480	0.6
247.07979	0.8
249.13307	0.6
255.13652	0.5
311.12918	0.5
353.23431	0.6
367.10437	1.2
369.11874	2.2
403.17664	4.4
435.19965	1.0
490.34784	0.9
491.34988	1.5
508.35501	0.6
509.36523	0.7
551.21387	20.3
552.21765	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	551.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.2
61.98820	1.3
70.38979	0.8
71.01382	7.4
71.54420	2.0
72.99297	1.4
85.02946	2.6
87.00869	4.9
89.02451	5.3
93.03469	2.1
94.24316	1.1
95.01418	2.3
96.96016	4.2
101.02428	3.5
108.02155	1.5
109.02995	5.2
112.67754	1.0
113.02434	2.9
119.03516	2.6
119.05022	32.2
121.02966	7.2
122.03692	1.0
123.04499	1.7
129.20872	1.0
132.02174	5.4
133.02934	4.7
134.03738	10.0
135.04555	4.4
136.01660	28.7
137.02484	7.3
145.02902	1.1
146.03752	1.6
147.04512	19.3
148.05016	1.6
149.02422	6.6
149.06044	2.0
150.03178	1.9
151.04016	2.4
153.05566	17.5
158.03650	1.8
162.03035	1.1
163.04022	14.3
164.01198	1.1
164.04808	4.3
171.10344	1.1
173.06036	3.8
175.03955	1.1
177.05537	1.5
178.02756	1.9
179.03517	1.0
179.05449	0.9
192.04279	100.0
193.04868	4.7
207.06479	1.2
223.07762	1.3
239.07076	2.8
250.06482	1.0
251.07112	2.9
253.08705	1.4
266.05786	2.8
266.09503	2.5
267.06610	8.3
267.09351	1.0
267.10272	0.8
269.08014	1.2
279.06726	1.2
281.08185	9.7
282.08951	12.8
295.09747	0.9
296.10513	14.6
297.07803	3.4
297.11279	46.3
298.11652	3.1
309.11368	1.1
312.10068	3.5
327.12360	58.0
328.12637	2.0
341.10312	9.1
353.10178	3.8
371.11298	3.4
519.15881	1.3
548.93848	1.2
551.17816	2.7
551.30414	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	551.1766
Annotation	Lactucaside
Peak:m/z	Relative Intensity
52.32321	0.7
54.00742	0.6
58.75183	0.6
59.01383	5.7
61.98840	2.9
69.03471	1.2
69.53600	3.9
69.54005	1.3
71.01380	5.1
85.02986	1.8
87.00874	0.7
89.02436	4.2
93.03462	1.4
96.96008	6.2
97.02969	1.2
101.02435	3.3
108.02164	0.9
109.02956	1.2
113.02451	4.2
119.03509	1.4
119.05067	2.5
121.02946	11.0
122.03740	4.8
123.04517	7.6
132.02203	2.1
133.02972	3.7
134.03738	81.3
135.04605	4.5
136.01688	2.6
137.02443	11.3
139.04007	2.7
147.04514	3.5
148.01668	1.0
149.02437	13.2
149.06075	20.6
150.03224	31.1
151.04002	25.5
151.05235	0.7
153.05553	1.1
160.01668	1.4
161.04504	0.8
161.33852	0.7
163.04015	1.3
164.04816	2.4
165.01941	4.1
165.05566	33.7
175.03998	2.8
176.04768	3.8
178.02702	40.2
179.05597	1.1
180.04318	2.3
181.05058	13.8
181.06570	1.0
185.00906	2.1
191.07129	4.2
192.04271	5.1
193.05045	89.0
194.05374	1.9
195.06636	11.0
200.94395	0.6
203.11407	0.7
207.06676	2.1
209.04626	0.8
209.11871	1.8
235.06100	11.7
239.07137	0.9
267.06607	3.0
282.08954	6.2
297.08167	0.9
297.11151	3.4
311.09280	0.6
341.10294	20.0
355.10907	0.8
371.11520	0.8
383.11356	3.4
389.12396	100.0
390.12860	3.7
431.13287	4.6
551.17480	26.1
551.25873	0.7
552.17853	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03450	1.5
58.00594	0.3
59.01377	100.0
60.01704	0.4
61.98830	0.3
69.03454	0.5
69.18554	0.8
69.18963	0.3
71.01379	15.5
72.99301	0.6
73.02943	4.0
74.01845	0.1
75.00869	0.3
78.95919	0.2
83.01386	2.1
83.01822	0.2
84.02164	0.2
85.02950	8.3
85.06602	0.1
86.00099	0.3
87.00880	0.7
89.02441	4.2
95.01385	2.0
96.96027	0.2
97.02949	0.9
97.80492	0.1
99.00877	1.5
101.02440	7.4
111.00876	0.6
112.01683	0.1
113.02445	10.3
115.04006	0.3
119.03505	1.2
124.01674	0.2
124.67202	0.1
125.02416	0.7
129.01953	0.3
131.03525	0.2
135.04593	0.1
143.03468	1.5
143.10773	0.3
153.09203	0.2
159.02997	0.6
161.04539	3.4
161.05884	0.2
183.10310	0.2
189.00009	0.1
197.08275	0.2
197.15443	0.3
223.20714	0.3
250.82759	0.1
281.24741	0.2
283.22882	0.2
297.28043	0.1
299.25803	0.9
327.28925	0.4
345.30072	4.1
346.30603	0.2
387.30908	0.2
398.21500	0.1
415.30655	0.2
441.32346	0.2
447.22461	0.5
453.32031	0.2
459.33575	0.2
489.34296	40.2
490.34668	2.2
507.35339	21.1
508.35626	1.3
549.36835	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	549.328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	0.9
59.01380	11.9
61.98830	3.6
70.55170	1.5
71.01373	2.1
73.02934	0.6
82.49151	0.5
83.05035	0.8
89.02437	2.8
96.95999	1.2
101.02462	3.2
119.03486	1.1
121.02953	0.8
161.04512	0.6
191.05876	0.6
235.08150	1.4
235.20761	0.7
253.09303	15.5
253.21715	100.0
254.22081	4.1
419.33929	0.7
549.28656	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.8
59.01377	15.9
59.84767	0.3
60.99310	3.4
61.98828	3.2
63.02184	0.4
63.87133	0.4
69.03446	1.6
69.26241	2.7
69.26659	0.7
71.01373	6.5
71.05008	1.5
72.99271	0.4
73.02950	2.2
75.00875	0.4
78.98577	0.4
79.95726	1.0
80.96509	4.4
82.95407	1.4
83.01372	1.0
83.05015	1.3
85.02939	2.1
87.00873	0.7
88.98773	0.5
89.02437	2.9
93.03468	0.5
93.70930	0.4
94.98058	1.3
95.01373	0.5
96.96016	2.5
97.02940	1.0
97.50662	0.4
98.95586	0.7
99.00861	1.2
101.02418	3.6
106.98097	0.4
113.02430	2.0
115.00362	0.5
116.92858	0.7
119.03463	1.0
119.08620	0.6
121.02958	0.7
122.97556	1.6
123.08182	0.4
125.02436	0.6
125.09688	0.8
126.90367	0.9
135.04584	0.4
137.02428	0.5
139.11218	0.4
148.99117	0.4
152.98634	0.9
155.10704	0.7
157.10092	0.4
161.04619	0.4
164.98613	1.2
203.12810	1.1
204.97754	0.7
225.00723	1.7
243.12241	1.0
255.19475	0.4
277.29669	0.4
284.03317	0.6
286.03998	0.5
299.04333	8.7
301.07312	2.3
301.10403	0.6
301.20047	0.4
305.22849	2.1
323.23874	1.8
327.21744	1.0
335.23730	0.6
343.24908	0.7
351.21741	0.6
369.22873	0.9
377.28381	0.9
379.26340	1.1
387.23740	4.5
388.24857	0.4
391.26434	0.4
395.29471	1.6
439.28448	1.3
451.28125	0.5
457.29517	2.0
463.25369	0.9
469.29636	0.5
475.30588	1.4
487.30826	1.1
489.26886	1.0
505.26410	9.7
506.27377	0.8
507.28098	1.5
519.29425	3.6
531.28131	0.5
549.16266	9.7
549.30499	100.0
550.17120	0.9
550.30945	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	549.3074
Annotation	4,5-Dihydroxykleinifulgin
Peak:m/z	Relative Intensity
57.03443	2.8
59.01377	15.9
59.84767	0.3
60.99310	3.4
61.98828	3.2
63.02184	0.4
63.87133	0.4
69.03446	1.6
69.26241	2.7
69.26659	0.7
71.01373	6.5
71.05008	1.5
72.99271	0.4
73.02950	2.2
75.00875	0.4
78.98577	0.4
79.95726	1.0
80.96509	4.4
82.95407	1.4
83.01372	1.0
83.05015	1.3
85.02939	2.1
87.00873	0.7
88.98773	0.5
89.02437	2.9
93.03468	0.5
93.70930	0.4
94.98058	1.3
95.01373	0.5
96.96016	2.5
97.02940	1.0
97.50662	0.4
98.95586	0.7
99.00861	1.2
101.02418	3.6
106.98097	0.4
113.02430	2.0
115.00362	0.5
116.92858	0.7
119.03463	1.0
119.08620	0.6
121.02958	0.7
122.97556	1.6
123.08182	0.4
125.02436	0.6
125.09688	0.8
126.90367	0.9
135.04584	0.4
137.02428	0.5
139.11218	0.4
148.99117	0.4
152.98634	0.9
155.10704	0.7
157.10092	0.4
161.04619	0.4
164.98613	1.2
203.12810	1.1
204.97754	0.7
225.00723	1.7
243.12241	1.0
255.19475	0.4
277.29669	0.4
284.03317	0.6
286.03998	0.5
299.04333	8.7
301.07312	2.3
301.10403	0.6
301.20047	0.4
305.22849	2.1
323.23874	1.8
327.21744	1.0
335.23730	0.6
343.24908	0.7
351.21741	0.6
369.22873	0.9
377.28381	0.9
379.26340	1.1
387.23740	4.5
388.24857	0.4
391.26434	0.4
395.29471	1.6
439.28448	1.3
451.28125	0.5
457.29517	2.0
463.25369	0.9
469.29636	0.5
475.30588	1.4
487.30826	1.1
489.26886	1.0
505.26410	9.7
506.27377	0.8
507.28098	1.5
519.29425	3.6
531.28131	0.5
549.16266	9.7
549.30499	100.0
550.17120	0.9
550.30945	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	549.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01377	9.5
60.99316	0.5
61.98827	1.4
63.94447	0.3
69.03466	0.8
71.01382	3.4
71.05046	0.4
71.55156	0.5
72.99281	0.6
73.02946	2.2
75.00871	0.5
82.95429	0.4
85.02951	1.3
87.00883	2.4
89.02441	2.1
93.03462	0.6
96.96014	1.9
97.02944	1.8
99.00877	0.8
101.02427	2.0
109.58236	0.3
113.02430	1.4
119.03458	0.5
121.02967	0.5
125.02431	0.3
135.04491	0.3
137.02429	1.2
161.04591	0.6
163.11327	0.4
167.07480	0.3
181.12303	0.7
183.10236	0.4
199.13339	0.4
201.11345	0.7
207.10268	0.6
225.11292	1.4
234.01701	0.5
243.12334	3.8
302.96530	0.4
363.27045	0.7
369.23096	0.4
379.26047	0.4
381.27960	1.4
387.23727	1.0
393.28122	0.9
409.27560	0.5
411.28754	1.6
421.27429	0.4
427.28400	0.8
439.28384	1.7
445.24835	0.5
457.29553	10.5
457.35959	0.6
458.29849	0.5
469.29852	0.7
471.27435	2.0
479.21304	0.5
487.30679	1.1
489.27499	0.6
501.28552	29.7
502.28638	2.0
505.26544	1.4
531.28088	0.7
549.30499	100.0
550.30872	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	549.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.8
59.01377	15.9
59.84767	0.3
60.99310	3.4
61.98828	3.2
63.02184	0.4
63.87133	0.4
69.03446	1.6
69.26241	2.7
69.26659	0.7
71.01373	6.5
71.05008	1.5
72.99271	0.4
73.02950	2.2
75.00875	0.4
78.98577	0.4
79.95726	1.0
80.96509	4.4
82.95407	1.4
83.01372	1.0
83.05015	1.3
85.02939	2.1
87.00873	0.7
88.98773	0.5
89.02437	2.9
93.03468	0.5
93.70930	0.4
94.98058	1.3
95.01373	0.5
96.96016	2.5
97.02940	1.0
97.50662	0.4
98.95586	0.7
99.00861	1.2
101.02418	3.6
106.98097	0.4
113.02430	2.0
115.00362	0.5
116.92858	0.7
119.03463	1.0
119.08620	0.6
121.02958	0.7
122.97556	1.6
123.08182	0.4
125.02436	0.6
125.09688	0.8
126.90367	0.9
135.04584	0.4
137.02428	0.5
139.11218	0.4
148.99117	0.4
152.98634	0.9
155.10704	0.7
157.10092	0.4
161.04619	0.4
164.98613	1.2
203.12810	1.1
204.97754	0.7
225.00723	1.7
243.12241	1.0
255.19475	0.4
277.29669	0.4
284.03317	0.6
286.03998	0.5
299.04333	8.7
301.07312	2.3
301.10403	0.6
301.20047	0.4
305.22849	2.1
323.23874	1.8
327.21744	1.0
335.23730	0.6
343.24908	0.7
351.21741	0.6
369.22873	0.9
377.28381	0.9
379.26340	1.1
387.23740	4.5
388.24857	0.4
391.26434	0.4
395.29471	1.6
439.28448	1.3
451.28125	0.5
457.29517	2.0
463.25369	0.9
469.29636	0.5
475.30588	1.4
487.30826	1.1
489.26886	1.0
505.26410	9.7
506.27377	0.8
507.28098	1.5
519.29425	3.6
531.28131	0.5
549.16266	9.7
549.30499	100.0
550.17120	0.9
550.30945	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	549.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22243	0.4
57.03446	8.5
59.01381	6.9
60.02901	0.4
60.99310	3.2
61.98817	1.3
69.03443	0.5
71.01378	1.7
71.55084	0.7
71.55466	0.5
73.02934	1.0
79.89298	0.4
84.95104	1.5
85.02950	6.4
85.39958	0.4
89.02425	0.7
96.96013	0.6
101.02435	0.9
101.06081	17.8
112.98569	0.5
113.02437	0.5
119.08711	0.5
123.08137	0.5
130.12231	0.4
132.48416	0.4
161.04510	0.4
171.10178	0.5
185.11867	0.6
187.09703	0.4
215.12939	0.4
217.89067	0.3
257.50204	0.4
283.19034	1.3
307.22763	1.4
325.23804	1.1
327.21765	6.0
351.21780	4.4
353.12094	0.4
365.24835	0.4
385.23804	0.9
387.23880	8.0
399.25070	0.7
409.06494	0.4
429.24985	0.4
469.29657	1.8
487.30527	3.2
490.35468	0.5
501.28235	0.6
505.26288	1.5
505.31989	1.4
507.25803	0.4
549.30640	100.0
550.30933	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	549.3069
Annotation	4,5-Dihydroxykleinifulgin
Peak:m/z	Relative Intensity
56.52969	0.2
59.01382	3.2
60.99302	3.1
61.98824	0.6
69.03453	0.4
69.28476	2.0
71.01372	1.2
71.05022	2.2
73.02937	0.7
77.58682	0.2
80.12637	0.3
83.01402	0.3
85.02951	0.6
89.02469	0.4
91.03748	0.3
94.01997	0.3
96.95974	0.8
97.02979	0.4
101.02434	1.0
113.02458	0.4
114.01703	0.3
123.08149	0.5
125.09737	0.4
133.01436	0.4
153.09149	0.3
187.09773	0.4
193.05083	0.4
200.40440	0.2
243.06560	0.6
343.24478	0.3
357.22162	0.4
373.25262	0.4
375.26755	0.6
387.23837	1.1
391.26276	0.4
393.27994	0.5
395.29190	0.3
405.27863	0.8
421.27399	0.4
423.29080	0.7
439.28513	1.6
457.29437	2.2
469.29391	2.4
471.27676	0.8
472.27771	0.4
483.27350	0.7
485.29050	0.3
487.30655	9.5
488.30984	0.6
489.21823	0.6
501.28546	34.5
502.28864	2.4
505.27148	0.3
549.30634	100.0
550.31055	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	549.296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93628	0.1
59.01374	0.2
63.36200	0.1
69.30894	0.8
71.01366	0.2
78.95902	0.3
79.95735	2.2
88.76247	0.1
96.96008	100.0
97.95936	0.2
105.79375	0.1
238.11826	0.1
510.32883	0.1
536.53003	0.1
549.29730	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03437	2.2
58.00592	1.0
59.01378	29.7
59.72841	0.3
61.98821	1.7
65.46721	0.3
69.30337	3.2
71.01380	16.1
72.99305	1.3
73.02954	3.3
73.92350	0.4
74.33887	0.3
75.00850	1.1
76.42717	0.4
82.95417	0.8
82.96157	0.4
83.01385	1.5
83.05029	0.4
84.95104	0.6
85.02946	5.4
87.00870	0.6
88.98782	1.2
89.02445	11.9
95.01381	1.3
96.96019	3.6
97.02933	0.9
97.06596	0.5
99.00867	1.0
101.02449	10.9
101.06083	1.7
109.06546	0.5
113.02453	4.9
115.94812	0.4
119.03490	3.9
121.02957	0.7
123.08128	1.0
125.09712	1.2
129.09212	0.6
135.04520	0.7
143.10762	0.6
153.09227	0.5
155.10707	1.0
161.04567	0.7
167.10767	0.5
169.12300	0.5
179.03481	0.6
179.05583	0.9
187.13277	0.6
216.13663	0.8
225.11292	0.7
244.34534	0.4
323.10117	0.7
327.21707	0.5
339.08765	1.2
343.24918	0.9
355.12738	0.6
369.13651	1.9
369.22922	1.9
385.23981	0.8
387.14752	0.8
387.23959	2.5
399.12006	0.8
400.24014	0.5
422.39859	0.5
469.29660	1.2
471.26605	0.6
487.30630	5.4
488.31046	0.5
489.26932	1.2
501.28604	2.1
549.29205	100.0
550.29706	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.6
57.03444	4.0
58.00583	2.0
59.01376	37.4
59.59007	0.5
63.12947	0.6
69.03464	0.8
69.64031	2.0
69.64433	1.0
71.01379	44.7
72.99304	1.9
73.02939	10.7
81.03458	0.9
83.01381	8.0
83.05027	0.7
83.47985	0.6
85.02948	22.4
87.00862	2.2
89.02443	22.8
95.01393	4.7
95.43475	0.6
96.96001	1.1
97.02940	1.4
98.19985	1.1
99.00878	5.8
101.02436	36.9
113.02444	28.0
119.03496	11.1
123.08160	6.6
125.02418	2.0
129.01869	0.6
131.03494	1.2
137.09697	1.8
143.03510	3.9
149.04576	1.2
153.09163	0.8
159.02968	2.1
161.04543	19.4
163.03963	0.6
163.11281	6.2
179.05609	8.3
189.12827	11.0
207.13884	10.6
225.14948	3.0
323.09683	3.5
387.20224	13.4
388.20941	0.7
431.19312	1.5
461.25238	0.7
489.19812	0.9
549.25574	100.0
550.26056	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	549.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
57.03446	0.6
58.00590	0.6
59.01379	30.7
61.98831	0.7
69.70659	1.7
71.01382	18.0
72.01718	0.5
72.99295	0.6
73.02945	3.8
73.55805	0.4
75.00876	0.4
83.01382	1.0
85.02950	6.7
87.00864	2.5
89.02444	15.3
95.01386	1.0
96.40926	0.3
96.96007	6.3
97.02921	0.4
97.82562	0.3
99.00873	1.4
101.02441	12.3
113.02451	6.9
116.92850	0.4
119.03504	4.9
125.02431	1.1
129.01900	0.8
131.03491	3.0
143.03490	1.1
148.72696	0.3
159.02957	0.8
161.04547	4.8
163.11267	2.5
179.05603	2.5
191.01880	1.0
207.10197	1.9
209.02943	1.4
221.06677	5.7
225.11348	0.5
387.16528	0.6
549.21857	100.0
550.22156	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	549.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
57.03451	2.0
58.00597	1.0
59.01378	85.7
60.99306	14.9
61.98811	2.6
68.99569	1.8
69.03469	3.6
69.47608	4.1
71.01382	18.7
71.05055	0.8
72.99300	0.6
73.02946	5.0
78.95893	1.0
80.05120	0.5
83.01385	2.0
85.02959	6.2
87.00873	2.7
88.00414	2.7
88.98804	100.0
89.02444	35.4
93.03425	0.7
95.01389	1.3
96.96006	1.2
97.02946	9.9
97.06615	0.5
99.00876	1.3
101.02437	7.6
112.98550	1.9
113.01707	0.9
113.02445	10.4
115.00335	0.9
119.03489	1.8
123.00894	0.8
137.02434	1.0
139.11253	2.1
143.03473	1.1
152.99544	0.6
153.09230	2.6
161.04529	5.6
183.10269	19.7
185.00841	0.9
187.58174	0.5
197.08118	1.6
206.07835	0.6
299.25586	1.0
313.20209	0.7
345.30023	5.4
351.10678	1.4
369.11679	1.1
489.34329	22.0
490.34393	1.4
507.35336	10.5
549.10785	0.7
549.19141	1.7
549.32190	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
57.03433	1.6
58.00587	0.7
59.01379	28.0
61.52019	0.4
68.54858	0.4
69.23660	3.4
71.01382	19.0
72.99297	1.1
73.02943	1.3
74.44762	0.4
81.03449	0.4
83.01355	1.1
83.33775	0.3
85.02458	0.8
85.02953	14.2
87.00861	1.0
89.01929	0.7
89.02444	9.3
95.01387	4.6
96.95988	1.1
99.00869	1.2
101.02440	7.6
113.02451	25.8
114.02750	0.4
119.03484	3.4
125.09720	0.5
139.10463	0.4
143.03481	1.0
147.03003	0.7
161.04445	1.9
163.11292	3.0
179.05562	0.8
189.12909	0.5
207.10289	3.2
225.11311	0.7
387.16330	1.9
395.24966	0.4
444.84695	0.5
489.20053	0.4
549.21802	100.0
550.22040	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95168	0.6
57.03441	1.1
59.01377	38.4
60.99318	0.8
61.98829	5.6
69.03456	15.8
69.55022	4.9
71.01384	8.6
72.99300	1.4
73.02955	3.7
79.01880	1.9
79.95719	0.9
83.01383	0.9
83.10374	0.7
85.02949	2.7
87.00879	2.0
88.98806	3.9
89.02439	5.2
90.28275	0.7
93.03457	13.4
95.01375	2.7
96.96011	5.8
97.02947	52.4
97.06596	0.8
98.19854	0.9
99.00854	3.4
101.02436	5.6
113.02425	2.6
115.00349	2.3
119.03497	1.8
123.00875	2.2
125.09734	1.4
129.05592	1.0
131.03481	0.7
133.01425	3.9
137.02441	32.2
139.11290	19.2
141.01950	7.9
146.58257	1.0
149.04538	1.4
163.11256	1.1
181.12338	13.1
183.10246	26.1
184.10567	1.4
185.00920	9.6
199.13412	6.1
201.11307	16.3
203.01958	0.9
225.11319	8.8
243.12347	100.0
244.12613	2.3
253.09187	0.7
299.04855	0.7
323.04044	11.8
327.21671	1.8
369.22806	1.9
371.55005	0.7
385.15274	1.1
387.23785	4.2
401.15930	1.7
429.13947	16.7
457.29343	1.1
463.25253	1.1
475.82764	0.8
501.28577	10.3
505.26505	7.9
549.16089	25.5
549.29443	23.9
550.16443	1.7
550.29498	1.8
572.72113	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63714	0.9
57.31676	0.7
59.01379	5.9
61.01805	0.8
61.98833	100.0
64.49702	0.7
70.65649	1.6
70.65996	1.2
107.53387	0.7
111.91758	0.9
113.32955	0.8
247.40446	0.8
255.63562	0.8
269.34576	0.8
488.33539	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0886
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
55.93565	0.7
57.03436	0.8
58.00592	0.8
59.01380	28.6
61.98839	3.4
63.02401	0.7
65.00321	1.0
65.14674	0.7
69.03465	1.0
69.53603	4.6
70.50047	0.7
71.01381	13.8
72.99298	1.1
73.02936	3.2
76.85175	0.8
80.06873	0.8
83.01381	2.3
84.95116	2.4
85.02940	5.0
85.03375	0.6
87.00877	1.4
89.02449	10.3
89.24601	0.7
95.01412	1.3
96.96008	13.6
99.00860	2.0
101.02449	7.9
102.35760	0.7
102.70631	0.7
106.06593	0.9
107.01402	2.3
108.02157	1.0
109.02947	2.0
110.47177	0.8
113.02448	5.2
119.03471	3.2
120.99628	2.7
121.02956	3.1
122.06115	1.1
125.02452	1.6
131.03609	1.3
132.04543	1.7
134.06105	10.7
135.00905	1.4
135.04507	1.0
148.01653	1.5
148.04103	0.8
149.02524	0.8
149.04572	1.3
151.00375	9.0
152.07126	1.1
158.02412	3.4
161.04613	1.9
162.05594	0.7
163.00385	2.3
169.11586	0.7
178.99876	5.4
179.05609	0.9
179.49191	0.7
187.03867	0.7
190.05092	18.5
192.06659	0.8
199.04137	1.0
202.44560	0.7
207.02998	1.7
211.03969	1.8
221.05107	0.7
222.07745	6.9
225.11354	2.8
226.02768	0.9
227.03481	3.4
243.02977	11.3
245.04471	0.8
254.02145	1.6
255.02997	29.3
271.02457	61.3
272.02969	3.5
273.03934	0.9
283.02359	1.3
299.01691	1.1
299.04681	1.2
300.02747	100.0
301.03473	35.8
301.06906	1.6
302.03867	2.2
304.80005	0.7
309.08823	0.9
311.20645	0.8
314.12408	2.1
337.11984	10.4
369.10233	1.1
369.14554	6.1
387.10730	1.0
387.15289	1.3
407.65689	0.8
431.75906	0.8
463.08795	4.7
463.21979	2.3
505.09866	83.2
505.22760	5.2
506.10391	4.4
517.18201	21.2
549.20880	28.2
549.29260	11.7
550.20764	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51961	0.2
55.01874	0.8
57.03460	1.1
58.00595	0.4
59.01382	100.0
60.01719	5.3
61.33471	0.2
61.98832	52.3
69.03470	0.8
69.22878	2.5
71.01384	11.4
72.01730	1.1
72.99297	0.4
73.02954	3.6
74.03284	0.4
74.98487	0.2
75.00893	0.3
78.95895	0.6
83.01392	3.2
85.02953	7.0
86.00068	0.4
86.03293	0.8
87.00869	1.0
89.02457	1.8
95.01412	1.3
96.96046	0.4
97.02952	0.6
99.00883	1.6
100.01212	0.4
101.01791	0.6
101.02451	9.0
102.02763	1.0
111.00882	0.8
113.02455	6.3
114.02763	0.9
119.03471	0.6
124.01587	0.3
125.02393	0.9
131.03555	0.3
143.03514	1.3
143.10806	2.2
144.11034	0.7
152.99506	0.4
159.02933	1.1
161.04570	3.2
162.04828	0.8
201.26506	0.3
204.13324	0.3
287.14880	0.5
288.15207	0.4
305.15735	1.0
306.16251	0.4
313.27197	0.3
323.77225	0.3
326.27536	0.6
343.28113	1.1
344.28745	2.1
381.22321	1.0
399.23749	1.4
428.29913	0.3
441.24631	0.6
458.31360	0.4
470.31363	0.8
474.21921	0.5
475.16919	0.4
487.32822	6.5
488.33112	25.0
489.32864	1.2
505.33826	4.0
506.34161	14.2
507.33823	0.7
548.22266	0.4
548.34375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88769	0.5
55.01873	0.8
58.02969	2.9
59.01387	3.8
61.92274	0.5
61.98833	2.8
63.82831	0.4
64.66641	0.5
69.51414	3.4
71.01373	2.3
72.04536	2.1
75.51919	0.5
82.02972	0.6
83.01382	2.0
84.04522	0.8
85.02960	0.7
86.02467	1.2
88.04037	23.5
89.02437	1.7
94.02983	0.7
96.96027	2.5
97.02921	1.0
98.02480	0.7
98.06116	2.0
99.00842	1.4
100.04042	15.5
101.02434	1.7
111.00858	0.6
112.04064	2.7
114.05588	1.8
116.07165	8.9
119.03477	0.8
124.04047	3.1
125.02412	1.5
128.03539	1.1
133.34218	0.5
136.04042	2.6
138.05588	0.9
140.03510	0.8
142.05115	3.0
154.05089	1.4
160.06131	19.6
166.05049	1.9
184.06107	2.1
202.07173	2.7
207.06534	0.5
211.10878	0.7
254.96201	0.5
345.12985	7.2
414.57983	0.6
548.20935	100.0
549.21478	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03447	1.4
58.00601	0.3
59.01377	100.0
60.01716	0.4
61.98833	1.8
64.28675	0.1
67.01902	0.1
69.03458	0.4
69.18936	0.6
69.19363	0.9
71.01379	12.2
71.05023	0.5
72.99315	0.5
73.02943	4.3
75.00884	0.3
81.03468	0.2
83.01388	3.4
83.05042	0.2
85.02948	8.4
86.00111	0.3
87.00864	1.1
89.02446	1.4
95.01385	1.5
97.02955	0.8
97.06570	0.2
99.00874	2.4
99.08167	0.3
101.02440	10.2
111.00870	1.3
112.01665	0.4
113.02443	6.6
113.09743	0.2
115.04013	0.3
119.03483	0.2
123.08180	0.2
124.01649	0.3
125.02460	1.2
125.09744	0.2
129.01944	0.4
135.04564	0.4
141.01944	0.3
143.03494	1.2
143.10779	3.3
143.11891	0.2
155.57671	0.1
159.02971	1.3
161.04544	4.0
163.14940	0.4
171.10233	0.1
181.16042	0.2
182.02617	0.1
211.13387	0.2
211.17020	0.3
213.18475	0.2
239.83746	0.1
243.12428	0.2
287.14987	1.1
305.16135	1.8
311.22134	0.2
313.27493	0.6
325.27441	0.9
343.28494	3.2
343.32764	0.3
344.28961	0.2
357.14380	0.2
357.22855	0.3
367.28674	0.3
408.48944	0.2
427.30676	0.3
439.30704	0.5
451.30533	0.2
457.31454	0.7
469.31711	1.0
487.32742	36.9
488.33035	1.9
505.33804	20.3
506.34119	1.0
547.35016	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
57.03444	1.5
58.00590	0.4
59.01378	100.0
60.01711	0.4
61.04329	0.1
61.98832	0.9
68.99836	0.1
69.03459	0.3
69.34860	0.4
69.35292	0.5
71.01379	16.4
71.04990	0.1
72.01723	0.1
72.99313	0.7
73.02945	4.0
75.00858	0.2
81.03461	0.2
82.92215	0.1
83.01387	2.2
83.01874	0.1
85.02952	8.1
85.06569	0.2
86.00096	0.4
87.00876	0.9
87.04510	0.1
89.02440	4.5
95.01389	1.8
96.96010	0.4
97.02953	0.8
99.00873	1.8
101.02442	9.0
102.02790	0.1
104.49193	0.1
111.00877	0.6
111.35047	0.1
112.01676	0.2
112.98540	0.2
113.02446	10.6
115.03998	0.2
117.80560	0.1
119.03485	1.8
123.00862	0.1
124.01696	0.3
124.04660	0.1
125.02453	1.0
126.42279	0.1
129.01953	0.3
131.03519	0.3
136.01663	0.8
139.00381	0.2
141.01889	0.2
143.03506	1.6
143.10777	1.8
151.03952	0.7
159.02986	1.0
161.04549	5.8
163.15001	0.2
165.05530	0.1
179.05626	0.4
205.03462	0.1
211.17032	0.2
237.22232	0.1
239.20175	0.1
253.09290	0.2
283.26324	0.3
287.14996	0.4
305.16129	0.7
309.20624	0.2
311.21561	0.2
313.27365	0.3
325.27466	0.5
343.15585	1.0
343.28488	2.5
344.15643	0.1
344.28711	0.2
367.28171	0.2
413.28940	0.2
427.30563	0.1
439.31503	0.1
451.30832	0.1
457.31366	0.2
462.63062	0.1
469.31839	0.5
487.32748	30.4
488.33060	1.8
505.33820	18.0
506.34009	1.1
547.35095	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	547.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
57.03439	0.9
58.00582	0.3
59.01377	8.5
61.98829	2.6
62.23361	0.2
69.03448	0.5
69.86556	0.6
69.86962	0.7
71.01380	5.3
72.99302	0.4
73.02950	0.8
78.95905	0.7
81.03442	0.3
82.55326	0.3
83.01395	0.8
83.05034	0.9
84.02232	0.3
85.02946	1.5
87.00864	1.0
87.05345	0.3
89.02439	5.4
96.96016	0.3
97.02957	1.0
97.06596	0.8
97.48709	0.2
98.20641	0.3
99.00883	0.3
99.08148	0.8
101.02440	6.0
113.02460	2.8
113.09692	1.2
117.81622	0.3
119.03503	1.8
121.10246	1.2
123.08125	0.4
125.02390	0.3
125.09704	1.3
127.11279	0.6
129.09210	0.3
137.09726	0.6
139.11295	4.5
143.03490	0.8
152.99594	0.7
161.04562	2.9
163.11217	0.6
165.12820	1.1
167.10738	0.4
167.14406	0.5
171.10268	12.1
172.10632	0.5
179.05615	0.8
179.10710	0.3
180.09467	0.2
181.12326	0.7
183.13864	0.6
185.11816	1.0
191.14418	0.3
193.12338	4.3
194.62277	0.3
197.11827	1.1
209.11818	1.2
211.11449	0.5
211.13379	6.6
212.13841	0.3
227.12979	0.4
235.08263	0.4
238.15305	0.3
249.22238	1.1
253.09274	25.4
254.09566	0.6
275.20096	0.6
293.21234	16.5
294.21573	0.4
299.05551	0.3
309.20627	0.3
310.21060	0.3
311.22269	100.0
312.22644	4.4
323.13956	0.5
357.18817	0.3
433.11169	0.2
487.32755	1.1
505.33926	0.6
547.31677	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13468	0.1
50.34568	0.2
55.01886	0.4
57.03445	1.1
58.00594	0.3
59.01376	7.6
61.98829	1.0
63.22435	0.1
64.55221	0.1
65.03969	0.2
69.03448	0.5
69.19963	1.0
69.20373	0.5
71.01377	5.0
71.05018	0.3
72.99306	0.4
73.02962	0.6
74.03271	0.2
75.00896	0.2
78.25792	0.1
78.95927	0.3
81.03456	0.3
83.01385	0.6
83.05025	1.0
85.02952	1.4
87.00870	0.8
89.02437	4.7
91.04027	0.2
95.01402	0.5
97.02948	1.3
97.06570	0.8
99.00883	0.3
99.08173	0.9
101.02440	5.4
109.06590	0.4
111.08140	0.4
113.02445	2.9
113.09731	1.4
119.03487	1.3
121.10257	1.2
125.02493	0.2
125.09764	1.0
127.11307	0.8
131.03471	0.2
131.96289	0.2
137.09695	0.4
139.11295	3.6
141.12891	0.3
143.03468	0.5
149.09746	0.3
151.11270	0.2
155.10802	0.2
161.04547	2.6
163.11296	0.6
165.12866	1.3
166.51646	0.1
167.10759	0.6
167.14438	0.4
168.11523	0.2
171.10268	12.0
172.10556	0.2
175.11298	0.6
179.05603	1.0
179.10617	0.2
181.12437	0.3
183.13861	0.6
185.11800	1.1
191.10693	0.2
191.14424	0.3
193.12329	4.8
195.14026	0.2
197.11827	0.6
199.13516	0.2
209.11845	1.2
211.13374	5.6
213.14992	0.2
227.12959	0.3
235.08221	0.5
249.22116	1.0
253.09268	25.6
254.09599	0.5
265.21738	0.3
275.20334	0.4
287.78934	0.2
291.19608	0.5
293.21210	16.1
294.21606	0.6
311.22250	100.0
312.22604	4.0
316.41071	0.2
454.44241	0.2
487.32745	0.3
489.29764	0.2
511.83856	0.2
515.15076	0.2
547.31635	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2239
Annotation	(+)-Tricordatine
Peak:m/z	Relative Intensity
57.73925	0.5
58.02975	1.9
59.01105	1.0
59.01380	14.3
61.98821	1.3
66.03486	0.5
70.02972	0.7
70.85867	1.5
71.01387	4.8
72.00909	1.5
73.02919	0.7
73.04089	0.9
81.02211	2.2
82.02972	0.8
82.06625	1.6
82.62530	0.5
83.01413	0.8
85.02945	1.9
89.02458	1.6
95.01379	0.8
96.00915	6.6
97.04053	0.7
98.02480	15.7
99.05646	13.5
101.02428	3.3
109.01705	1.1
111.01982	0.8
111.08143	1.4
113.02452	2.3
114.01965	1.2
114.05594	1.2
116.05076	1.4
118.06643	4.2
124.02770	3.0
127.08791	2.1
137.09738	0.7
138.09253	1.6
139.08765	1.9
141.06705	8.3
143.05064	2.9
146.06212	0.8
147.04521	9.9
147.05957	4.5
153.10316	1.0
155.08302	3.0
157.06580	2.7
161.04591	1.3
162.04784	0.7
164.07167	19.5
165.10320	4.2
166.08748	4.0
167.08284	2.2
168.10280	0.6
171.10281	1.4
172.07689	2.7
172.10631	0.6
178.11070	0.7
181.09869	1.4
185.06058	1.1
189.05270	0.8
189.07022	17.2
197.11827	3.5
198.12141	2.4
199.06393	8.7
199.12300	1.0
200.07138	2.0
204.08974	0.8
209.09314	2.5
211.13434	3.5
212.13788	2.3
213.13988	1.4
222.10146	0.9
238.07437	0.7
241.13403	0.6
251.16553	0.9
252.14093	0.8
253.09364	3.8
253.11719	0.8
254.09674	2.6
255.09773	1.9
256.08447	1.6
259.14471	3.0
267.15091	0.6
269.16608	1.4
270.14944	2.5
291.19666	3.6
292.20016	4.5
293.20297	2.8
295.14493	3.7
309.20755	3.8
310.21115	5.6
311.21405	4.2
313.15543	9.0
357.14554	100.0
358.14810	4.0
487.32867	5.3
505.33789	3.0
547.22327	63.5
548.22638	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	547.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	27.2
60.99303	15.9
61.98816	3.5
69.47090	0.9
69.47488	4.3
71.01372	6.3
71.21505	0.6
72.99355	0.6
73.02934	3.2
77.04165	0.6
80.24564	0.7
82.95433	0.6
83.01390	1.2
85.02948	2.8
87.04526	0.8
88.98803	100.0
89.02441	3.2
96.96004	14.5
97.02898	1.2
98.95598	0.8
99.00880	1.6
101.02455	4.1
109.06583	0.9
113.02435	2.2
119.03484	0.9
119.05032	1.0
133.01437	1.0
137.02457	0.9
161.04576	1.8
171.04710	0.7
171.10419	0.7
185.00868	1.3
197.42921	0.7
207.10243	1.2
214.59134	0.8
215.09412	0.7
225.11313	1.5
255.03017	2.7
256.03558	1.0
283.02432	1.5
284.03250	33.1
285.03601	1.2
299.05597	39.6
300.05865	2.1
343.11819	0.9
385.22479	3.1
385.26596	0.9
388.22205	0.7
413.21756	0.8
443.09451	1.0
503.24896	17.1
547.27875	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	545.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.99306	4.5
61.39892	0.6
61.98830	2.5
69.88642	0.6
71.01390	0.8
71.02734	1.6
78.95910	1.1
91.03036	0.7
96.38467	0.7
96.96014	2.1
97.02958	0.8
101.02436	1.2
115.90922	0.7
120.68195	0.8
143.08722	1.3
189.25284	1.0
195.13890	1.0
197.11876	2.0
203.10812	0.9
253.09366	3.0
291.19717	3.7
295.22910	2.9
309.20795	7.8
309.24429	2.3
314.22864	0.7
375.26682	0.8
377.28470	1.1
385.25687	0.7
387.26767	3.4
389.28452	2.3
395.29688	0.9
403.14563	0.9
403.30188	7.4
405.27817	2.7
405.32217	9.7
407.29636	3.8
411.32834	2.8
417.28171	1.0
419.29526	6.4
421.31213	10.5
423.32703	3.6
437.30627	12.9
438.30780	1.2
441.33844	6.3
449.30475	3.8
451.28888	0.8
453.30353	2.9
455.31479	5.9
463.24939	2.6
467.32074	1.3
481.29919	1.6
485.32709	55.3
486.33334	4.3
545.29572	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1092
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
53.86863	0.7
56.14698	0.6
64.54214	0.6
65.42804	0.6
69.27467	6.2
78.87760	0.6
89.18436	0.6
98.20742	1.2
125.36839	0.6
130.26894	0.6
134.03758	0.6
208.10896	0.8
253.82005	0.7
255.02969	5.7
256.03748	2.1
283.02368	2.3
283.06018	0.8
284.03253	86.4
285.03546	2.7
297.04089	2.7
299.05600	100.0
300.05966	3.5
309.35077	0.7
341.06558	1.7
449.22531	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3342
Annotation	3-O-alpha-Mycarosylerythronolide B
Peak:m/z	Relative Intensity
59.01382	2.9
61.66786	0.3
61.98827	2.6
66.03456	0.7
69.03447	1.2
69.32440	1.7
69.32847	0.7
71.01360	1.6
72.00894	1.3
74.02464	3.2
75.00879	0.3
79.95728	0.6
80.91667	0.9
80.96518	1.4
82.06626	1.5
84.08167	0.4
85.02934	0.8
87.00838	0.5
89.02444	1.0
93.03461	3.2
95.05016	0.5
96.96005	8.5
97.02927	0.7
97.06654	0.4
99.00877	0.3
101.02427	0.7
105.67409	0.3
106.04223	1.0
107.05033	1.5
108.02120	0.4
110.06096	0.7
111.02013	2.5
112.02746	0.4
112.07679	1.4
113.02440	0.8
115.00343	0.3
119.05025	7.7
126.09212	0.8
127.08733	1.3
128.07127	0.4
129.10344	16.0
130.08733	0.8
133.05196	1.1
134.06114	10.7
136.07669	3.9
139.08737	0.8
140.07147	0.7
141.10312	0.4
143.11943	1.6
153.06657	0.7
153.07858	0.4
153.10333	0.8
155.08261	14.3
155.11916	0.9
157.09798	0.6
157.13454	8.1
162.05434	0.3
163.03999	4.7
163.08823	0.4
164.07176	0.9
169.09805	1.9
179.15559	1.9
180.06654	18.3
181.09766	1.6
185.00867	1.2
187.10866	2.8
203.10793	1.3
205.13313	0.6
206.12006	0.5
209.11838	0.9
223.14444	2.4
225.00706	0.7
225.19685	2.4
231.07678	1.0
232.13419	0.6
239.09138	0.5
240.17210	0.3
247.14519	1.9
249.16096	12.1
249.18419	0.6
250.16469	0.5
268.20294	1.3
275.13937	1.3
293.15054	11.8
294.15219	0.4
320.27097	2.1
323.04092	0.7
343.20148	1.5
344.16116	6.0
360.22879	2.9
364.26108	2.5
383.20715	1.9
387.21576	1.3
388.15350	0.4
404.21884	1.3
405.21741	0.3
431.20593	0.4
432.21756	0.3
501.23300	0.4
501.34100	1.6
510.11917	0.3
527.17505	1.1
545.33398	100.0
546.19116	0.4
546.33728	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	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
57.03453	1.5
58.00608	1.1
59.01376	14.8
61.98835	1.6
65.00334	0.9
67.01879	0.6
69.03477	1.1
70.23155	0.3
71.01379	10.3
71.55113	0.6
72.99306	1.0
73.02940	2.1
75.00179	0.4
80.02681	0.4
81.03471	0.5
83.01416	1.3
83.05046	1.6
85.02947	4.0
85.06602	0.8
87.00894	1.5
89.02446	9.6
93.03477	1.4
95.01389	0.8
95.05045	0.9
97.02947	5.6
97.03564	0.4
97.06591	1.3
99.00885	0.9
99.04538	0.4
101.02440	10.8
107.01414	1.6
108.02208	0.5
109.02923	0.5
109.06598	1.2
111.08160	8.6
113.02448	5.8
119.03501	2.8
121.03017	0.4
121.10220	2.2
123.08157	0.6
125.02450	0.9
125.09707	2.9
127.07648	1.2
131.49791	0.4
134.03728	1.8
135.04506	1.9
136.01689	0.8
137.09714	2.6
143.03513	1.2
143.15685	0.4
148.41045	0.4
151.00360	5.2
151.11258	0.5
153.12833	1.0
155.10840	0.4
161.02472	0.4
161.04556	6.0
164.01190	1.3
167.10779	0.9
167.14417	0.7
169.12355	2.9
171.10260	9.4
173.04556	0.9
174.03200	1.1
175.00418	0.8
177.01921	0.6
177.12904	0.6
179.05606	2.2
179.10794	0.8
179.14438	0.6
179.95271	0.4
181.12355	2.0
183.13907	1.6
185.11813	4.2
191.05612	2.4
193.12250	1.0
195.13890	2.5
196.00140	1.6
197.11819	41.1
198.12198	1.0
199.03969	1.7
199.13345	3.2
201.01958	0.7
209.11884	0.7
211.13383	43.6
212.13785	1.0
215.07175	1.0
221.11946	0.6
221.15427	1.6
223.13377	1.5
225.14978	0.6
227.12997	0.7
233.06725	0.4
233.15393	0.7
235.08231	0.7
239.12706	0.4
241.05045	1.1
245.71170	0.4
247.20642	0.9
251.16498	1.8
253.09277	52.6
254.09615	1.0
255.03113	0.5
257.04318	0.7
263.20114	2.2
265.17975	1.0
273.18570	1.8
285.04010	4.7
286.04828	4.1
291.19644	59.5
292.19952	2.2
309.20691	100.0
310.21033	4.2
365.10080	0.5
383.11380	5.3
433.20724	0.5
447.08911	0.8
447.22314	0.8
448.09851	4.8
485.31033	0.5
513.31451	0.4
527.28699	3.0
545.29321	2.0
573.82507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64665	0.3
55.01879	0.6
57.03451	0.7
58.00595	1.2
59.01380	12.3
63.25297	0.3
69.03463	1.7
71.01018	0.4
71.01373	9.2
73.02951	1.2
73.11481	0.3
83.01396	1.1
83.05045	1.0
85.02530	0.3
85.02962	2.2
86.32143	0.3
87.00881	1.3
89.02446	8.4
91.04044	0.4
91.89605	0.3
94.15224	0.3
95.01410	0.4
97.02953	3.6
99.00901	0.5
101.02441	9.6
109.06609	0.7
111.08162	12.6
113.02448	4.7
119.03530	2.2
125.09731	1.2
127.07693	0.9
132.75471	0.3
137.09740	1.5
143.03476	1.0
149.04579	0.4
151.11330	0.8
153.12883	0.8
161.04587	4.4
163.11319	0.9
165.12825	2.9
167.10712	0.3
169.12350	4.6
171.10286	3.2
177.13013	0.3
179.05623	1.9
179.10823	0.5
179.14505	0.8
181.12299	1.8
183.13861	1.2
193.12320	0.6
193.15913	0.5
197.11835	61.4
198.12175	1.1
199.13402	3.7
209.11838	1.3
211.13397	8.0
217.16008	0.4
223.13528	0.4
227.12897	2.2
228.13318	0.6
229.19652	0.6
235.08266	0.6
247.20737	1.8
253.09288	43.7
254.09604	1.2
263.20178	3.4
265.18076	1.6
273.18640	1.8
291.19662	35.7
292.20023	1.2
293.46106	0.3
309.20712	100.0
310.21094	5.2
445.63782	0.4
460.98138	0.4
545.29541	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
57.03451	2.0
58.00594	1.4
59.01380	79.1
61.98837	9.7
70.82458	2.2
70.82832	2.6
71.01379	17.5
71.05018	3.7
72.99332	1.1
73.02951	6.7
75.61318	1.1
78.91879	1.7
83.01379	3.9
85.02956	5.7
87.00891	1.9
87.04523	1.7
89.02441	11.5
92.14323	1.0
92.83604	1.2
93.03454	2.1
95.01384	1.8
96.96020	10.6
97.02989	1.5
97.06592	2.3
99.00909	1.8
100.48441	1.0
101.02440	15.2
101.66303	1.1
107.01370	2.2
113.02443	8.6
115.00374	2.2
119.03498	4.4
121.10253	2.2
121.34913	1.0
125.09753	2.3
131.03479	1.2
133.01401	1.6
133.02933	1.2
134.03754	3.7
135.04501	4.6
135.08226	1.1
136.01753	1.2
137.02519	1.2
137.09726	5.2
143.03484	1.5
146.15749	1.0
151.00407	7.0
151.04018	1.3
151.11186	1.2
151.12398	1.0
157.08728	4.2
161.04620	6.6
164.01135	2.9
171.10274	10.4
173.04515	1.2
174.03287	3.0
177.02005	1.1
179.05606	2.9
183.10274	3.2
185.11807	4.7
185.31436	1.2
191.05606	4.8
196.00098	1.9
197.11902	1.5
199.04034	2.6
201.01836	1.2
211.13396	2.2
215.03569	1.5
215.07065	1.4
219.13979	1.7
237.14929	1.2
241.05101	1.7
247.20821	1.3
247.44106	1.2
251.16536	11.6
253.09283	31.7
255.03072	1.4
257.03668	1.4
284.02957	1.4
285.04089	8.3
286.04675	3.5
291.19644	27.8
309.20694	100.0
310.21039	3.2
323.12988	1.3
341.13815	1.4
383.11414	10.4
447.09085	2.6
448.09656	7.8
470.45480	1.2
485.31168	13.4
486.31866	1.1
509.25830	1.8
544.33331	1.6
545.16663	1.4
545.23657	11.9
545.32440	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	545.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.7
61.98819	0.6
71.01388	0.9
71.45324	0.1
71.55418	0.2
73.02929	0.2
78.95895	0.4
79.95731	2.9
81.79323	0.1
83.01415	0.2
85.02945	0.5
87.00861	0.2
89.02446	0.4
91.20678	0.1
93.03461	0.2
95.01428	0.1
96.96011	100.0
97.95943	0.2
98.36282	0.1
98.78232	0.1
101.02462	0.4
113.02468	0.4
115.61264	0.2
118.96494	0.2
133.01416	0.3
134.03761	0.3
135.04515	0.4
151.00366	1.1
170.99689	0.1
191.05592	0.2
198.99297	0.2
199.04030	0.2
224.29932	0.1
231.10298	0.6
284.03012	0.1
285.04004	0.6
286.04773	0.5
309.20407	0.2
326.11624	0.2
383.11243	1.8
400.63284	0.1
406.66760	0.1
447.09003	0.2
448.09750	0.4
485.18256	0.5
485.31567	0.3
503.12213	0.2
503.18835	0.7
503.32324	0.2
545.19080	1.2
545.28394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69720	0.1
58.21429	0.1
59.01379	2.6
61.98820	0.8
71.01379	1.5
71.54948	0.2
73.02939	0.3
78.95898	0.7
79.95734	3.0
83.01383	0.2
85.02952	0.4
89.02458	0.5
91.14661	0.1
96.96008	100.0
99.00871	0.2
101.02430	0.7
103.54944	0.1
113.02455	0.5
115.00349	0.2
118.96637	0.3
122.99326	0.1
133.01416	0.3
134.03760	0.2
135.04497	0.5
136.01669	0.5
137.02399	0.2
151.00401	0.4
151.04024	0.5
161.04529	0.2
164.01207	0.2
174.06763	0.2
191.05632	0.4
199.03986	0.2
241.05203	0.3
253.09146	0.2
255.02969	0.4
256.03491	0.3
257.03659	0.4
284.02744	0.2
285.03955	0.6
286.04736	0.6
291.19672	0.2
309.20685	0.7
341.13989	1.2
353.13803	0.2
383.11197	0.6
447.09091	0.3
448.09586	0.8
485.31204	0.3
503.32083	0.3
545.18744	0.8
545.26379	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	545.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59699	0.2
56.53937	0.3
57.03459	0.3
58.61373	0.2
59.01382	4.3
61.98817	1.1
69.03459	0.7
71.01375	1.3
72.45260	0.2
73.02913	0.4
78.95911	1.5
79.95735	3.0
85.02937	0.4
86.26884	0.2
87.00880	0.3
89.02445	0.9
95.40905	0.2
96.96010	100.0
97.02921	0.4
98.20763	0.5
101.02440	0.6
113.02459	0.6
117.80200	0.2
119.03460	0.5
134.03734	1.2
135.04506	0.3
139.11325	0.5
139.82500	0.2
149.06071	0.2
151.00351	1.0
161.04556	0.6
173.15044	0.3
179.05473	0.2
183.10248	4.4
193.05034	1.6
211.63766	0.3
215.07219	0.2
231.10255	0.5
383.11127	1.6
387.86609	0.2
485.31326	0.3
545.18658	1.1
545.26715	0.4
545.34827	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	41.4
59.77759	1.7
61.98828	5.3
69.23781	14.0
71.01381	11.0
73.02953	3.4
75.80353	1.9
82.95412	4.1
85.02964	2.2
87.00849	1.5
89.02444	5.7
90.13081	1.8
95.01392	1.7
96.96000	2.0
101.02428	5.3
113.02450	5.2
120.99686	2.1
161.04465	1.8
244.52682	1.5
255.02953	48.7
256.03470	4.2
269.04773	1.9
273.08112	1.6
283.02481	31.3
284.03201	6.5
289.17963	2.7
307.19168	2.8
313.03351	2.5
353.53159	2.0
381.09668	7.8
396.34134	1.8
407.18146	1.9
446.08548	57.4
447.08804	4.9
483.29309	5.1
501.30865	2.6
507.35516	9.2
543.15485	5.0
543.33063	100.0
544.33423	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	545.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
60.22840	0.1
61.98817	0.3
66.64637	0.1
69.03479	0.1
71.01382	0.5
73.02941	0.3
78.98577	0.1
79.95734	2.7
80.00742	0.1
80.96518	1.3
82.96114	0.1
83.01344	0.1
85.02923	0.2
87.00900	0.1
89.02444	0.3
94.98125	0.2
96.96008	100.0
97.95957	0.1
99.00884	0.2
101.02438	0.5
113.02449	0.2
148.99185	0.1
152.98557	0.2
161.04579	0.1
164.98631	0.1
185.00826	0.1
191.01793	0.1
203.12888	0.2
211.92607	0.1
225.00732	0.4
284.03247	0.2
285.04074	0.6
383.00504	0.2
447.09250	0.3
527.17847	0.7
544.18188	0.1
545.18964	1.6
545.26898	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
57.03451	5.2
59.01379	24.7
59.16106	0.9
61.98825	2.2
69.03464	2.1
71.01379	18.0
71.55975	1.4
72.99312	1.5
73.02950	5.3
76.32693	0.9
79.95763	1.3
80.02676	1.1
80.96518	1.7
83.01385	3.5
83.05029	2.7
85.02962	4.4
87.00878	3.3
89.02434	10.9
94.98149	0.8
95.01366	1.3
95.05033	2.3
96.96011	2.3
97.02955	1.8
97.06591	10.3
101.02438	14.9
109.02950	1.0
109.06602	2.6
111.00871	1.0
111.08170	4.7
113.02439	6.5
119.03485	2.7
123.04561	1.1
123.08157	1.0
125.02438	2.2
125.09731	2.8
137.09711	1.8
138.06851	0.9
143.03467	1.4
149.09717	2.5
151.11270	10.4
153.12859	2.5
155.10796	3.5
161.04550	4.7
161.09727	1.4
163.11296	4.7
165.12851	17.0
167.10745	2.9
169.12341	2.4
170.52443	0.8
172.43442	0.9
177.09258	1.0
177.12819	2.1
179.05661	1.7
179.10773	3.6
181.12341	16.3
183.13841	2.5
184.80664	0.9
191.10765	7.2
191.14432	4.8
197.11821	1.6
203.09399	0.9
205.12354	2.4
209.11818	49.0
210.12196	1.6
211.13345	4.2
224.48389	0.8
225.00720	1.1
225.11096	0.8
227.12846	13.1
233.15465	1.0
235.08142	2.8
239.09143	1.4
245.19084	17.2
253.09276	34.0
255.03079	2.5
261.18549	2.0
263.20157	19.9
268.13135	0.9
271.16904	2.3
277.21713	1.4
279.19525	2.0
283.02484	2.3
289.18076	31.1
290.18402	1.3
295.22836	1.6
301.16772	1.3
307.19131	100.0
308.19553	3.9
439.26993	1.4
445.20752	18.1
446.08475	3.2
446.21304	1.3
457.28094	3.2
460.19629	4.1
466.88364	1.0
499.29062	15.5
500.29965	1.2
543.15875	2.9
543.27911	15.6
544.28186	1.1
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
55.01878	0.4
57.03436	0.3
57.59817	0.2
59.01377	8.1
61.98802	0.3
69.03442	0.3
69.18772	0.9
69.19196	0.9
71.01380	4.9
71.05014	2.2
72.99323	0.3
73.02944	1.0
80.02679	0.7
81.03426	0.9
81.27541	0.2
83.01369	0.5
83.05011	0.7
85.02956	1.1
87.00869	0.7
89.02442	4.4
95.01401	0.5
95.05021	1.2
96.96008	0.2
97.02949	0.6
97.06579	0.5
98.03712	0.7
99.00860	0.4
101.02441	4.3
106.04233	0.6
107.01368	0.2
107.05032	0.3
109.02943	0.2
109.06586	7.3
111.04519	3.0
111.08154	1.0
112.05263	0.2
113.02448	2.8
113.20920	0.2
115.00368	0.2
119.03503	1.3
119.09910	0.2
121.02877	0.2
121.06580	0.4
123.08146	1.0
125.02474	0.2
125.09669	0.3
127.07671	1.3
131.03477	0.2
135.08171	0.4
135.11816	0.2
137.06064	0.3
137.09645	0.5
141.08105	0.2
141.09195	0.2
143.03481	0.5
143.10782	1.2
145.06584	1.6
149.06046	0.3
149.09717	1.1
151.00325	0.3
151.11275	0.5
155.10867	0.2
161.04570	2.4
161.09738	0.2
163.11295	0.4
167.10779	1.5
177.06763	0.2
177.12854	0.4
179.05615	0.8
179.10747	0.6
181.12344	0.3
185.11798	0.4
191.14418	0.7
195.13889	3.3
201.99681	0.2
207.17584	0.3
209.11874	0.3
215.14484	0.4
217.16104	0.3
233.15221	0.3
235.08202	0.6
235.13412	1.0
245.19099	4.1
247.17178	0.2
249.15002	0.2
251.16508	0.5
251.40207	0.2
253.09274	17.1
254.09782	0.3
255.02971	15.3
256.03180	0.4
261.18671	0.5
271.16907	0.9
273.14972	0.6
283.02469	9.2
284.03116	1.5
285.04053	0.5
287.16513	1.8
289.18073	100.0
290.18427	3.8
297.03754	0.2
307.19131	6.1
307.26303	0.2
308.19492	0.2
313.03601	0.5
335.66415	0.2
353.10059	0.3
381.09824	1.9
407.16782	0.2
446.08502	15.2
447.08932	1.1
483.29425	0.6
525.26971	1.1
543.15173	0.4
543.30603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
55.74847	0.1
57.03444	0.3
58.00599	0.2
59.01377	7.1
60.83030	0.1
61.98808	0.1
67.02645	0.1
69.03452	0.4
69.19308	1.0
71.01381	4.5
71.05024	1.7
72.99300	0.2
73.02937	0.9
80.02689	0.6
81.03437	0.8
83.01395	0.4
83.05018	0.8
85.02947	1.2
85.06586	0.1
87.00880	0.6
89.02443	4.1
91.04027	0.1
93.03465	0.2
95.01401	0.4
95.05017	1.2
97.02943	0.3
97.06586	0.3
98.03741	0.5
99.00877	0.3
101.02443	4.2
106.04246	0.6
107.05051	0.2
109.02953	0.2
109.06590	7.5
110.06963	0.2
111.04523	2.6
111.08155	0.8
112.05293	0.3
113.02442	2.0
115.03994	0.1
116.97210	0.2
117.07087	0.1
119.03500	0.9
119.04940	0.1
120.05799	0.3
121.06586	0.3
121.10249	0.2
123.04533	0.1
123.08166	1.2
125.02442	0.2
125.06070	0.2
125.09703	0.1
127.07642	1.4
129.89346	0.1
131.03502	0.2
133.05104	0.2
133.10194	0.2
135.08160	0.4
135.11819	0.2
137.06090	0.3
137.09689	0.7
141.09213	0.2
143.03484	0.4
143.10782	1.0
145.06586	1.4
147.08199	0.1
149.04526	0.2
149.06110	0.3
149.09717	0.9
151.00369	0.1
151.11252	0.5
153.09184	0.1
158.53082	0.1
159.08138	0.2
161.04549	1.9
161.09721	0.3
163.11276	0.4
165.09181	0.1
167.10757	1.9
169.12296	0.2
171.10252	0.2
175.11269	0.1
177.09190	0.2
177.12929	0.5
179.05586	0.7
179.10774	0.8
181.12262	0.5
185.00856	0.2
191.14453	0.5
193.12334	0.2
195.13895	3.8
196.14252	0.1
207.14037	0.1
207.17531	0.2
215.14421	0.4
216.15277	0.2
217.16014	0.3
227.18056	0.2
229.15971	0.1
233.15479	0.2
235.08163	0.5
235.13342	0.8
243.17494	0.2
245.19089	4.5
246.19373	0.2
247.17151	0.2
249.14880	0.2
251.16432	0.5
253.09268	18.3
254.09627	0.4
255.02937	2.3
255.05414	0.2
256.03305	0.1
259.13382	0.2
261.18582	0.4
271.17035	1.3
273.14902	0.5
283.02460	1.6
284.03101	0.4
287.16458	1.6
289.18073	100.0
290.15143	0.2
290.18423	4.3
307.19116	6.6
308.19464	0.3
313.03693	0.1
353.10330	0.2
381.09695	0.2
446.08536	2.6
483.29733	0.2
510.56046	0.1
525.27002	0.8
543.28143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
56.12514	0.2
57.03449	1.7
58.00584	0.4
59.01377	15.1
61.98819	0.7
62.55237	0.2
65.03976	0.2
67.01878	0.4
68.89915	0.2
69.03449	1.1
69.44205	1.8
71.01376	10.6
71.05003	0.2
72.99300	0.9
73.02939	1.7
75.00845	0.3
78.95921	0.2
79.95734	0.5
80.02666	0.8
80.96530	0.3
81.03451	1.8
82.29582	0.2
83.01395	2.9
83.05022	1.5
85.02934	2.4
85.07928	0.3
87.00867	2.0
89.02444	9.8
91.03986	0.5
93.02841	0.3
93.03397	0.5
95.01398	1.3
95.05033	1.8
97.02942	2.5
97.06583	5.2
98.19915	0.5
99.00895	0.6
99.04512	0.3
101.02436	10.9
101.03101	0.6
106.04226	0.7
107.05016	0.5
107.08677	0.3
108.02158	0.3
109.02991	0.4
109.06598	1.2
110.03718	0.6
111.00842	0.3
111.04517	0.9
111.08201	0.4
113.02443	5.6
113.06083	0.3
114.89261	0.2
119.03501	3.0
119.08649	0.8
120.05786	0.4
121.06570	1.7
121.10219	0.4
123.04520	3.2
123.08150	1.4
125.02465	0.3
125.06081	0.7
125.09717	6.1
131.03471	0.5
131.05002	0.3
133.05101	0.5
135.08176	1.2
137.06084	0.6
137.09700	4.2
139.11208	0.3
141.09103	0.3
141.12856	1.1
142.02650	0.6
143.03497	0.8
145.06609	0.4
148.08978	0.3
149.04517	0.3
149.06068	0.9
149.09703	0.6
150.10445	0.3
151.11285	0.7
152.99582	0.2
160.08899	0.5
161.04543	5.6
161.09679	0.8
162.10461	0.4
163.07652	0.5
163.11284	7.8
164.08424	0.3
165.09181	0.6
165.12842	2.6
166.09906	0.2
167.10759	0.7
171.10280	0.9
173.09625	0.3
175.11298	0.7
177.09242	0.4
177.12856	0.8
179.05614	2.5
179.07057	0.3
179.10773	0.9
181.12323	1.7
183.13937	0.3
185.11818	7.0
189.12790	0.8
191.10754	1.0
191.14403	9.9
193.12317	0.7
202.13718	0.3
203.14366	0.5
206.35823	0.2
207.10222	4.0
207.13910	0.4
209.11816	18.5
210.12132	0.7
211.13370	2.2
217.15981	1.3
219.10332	0.3
219.13976	0.3
225.00832	0.3
225.11293	4.2
226.12038	0.5
227.18028	0.6
231.10214	0.3
235.08232	1.0
237.11304	11.0
238.11894	0.3
243.17479	0.8
245.19080	18.5
246.19466	0.7
247.16977	0.4
253.09267	41.7
254.09586	1.0
261.18515	0.3
263.16226	0.3
263.17288	0.4
263.20145	5.3
265.18134	0.3
271.17050	3.0
281.21231	1.5
287.16656	0.4
289.18073	96.7
290.18442	4.7
307.19122	100.0
308.19507	4.1
309.20737	0.4
325.20157	0.4
445.20712	0.8
525.27155	1.2
543.16229	0.7
543.27887	5.9
544.27972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71000	0.2
55.01879	0.7
55.50222	0.2
57.03443	2.0
57.17110	0.2
58.00602	0.5
59.01377	15.6
61.98823	0.3
65.03940	0.2
67.01896	0.5
67.05537	0.2
67.91257	0.2
69.03442	1.0
70.83620	0.4
71.01379	10.9
71.05006	0.4
72.99307	0.6
73.02943	2.2
75.00887	0.2
79.95741	0.3
80.02686	0.5
80.96523	0.3
81.03451	2.0
83.01380	3.0
83.05015	1.4
84.02160	0.2
85.02942	3.0
87.00874	1.6
89.02441	10.1
91.04015	0.5
92.06008	0.2
93.03461	0.7
95.01379	1.2
95.05022	1.6
97.02943	2.7
97.06582	4.1
97.48354	0.2
99.00877	0.6
101.02440	11.2
106.04247	0.7
107.05045	0.4
108.02215	0.2
109.02951	0.5
109.06570	1.2
110.03744	0.6
111.00896	0.2
111.04527	0.6
111.08165	0.7
113.02446	4.8
113.06075	0.4
115.07654	0.2
119.03500	2.7
119.05006	0.3
119.08648	0.8
120.05788	0.3
121.06603	1.6
123.04525	3.4
123.08152	1.7
125.02426	0.6
125.06104	0.8
125.08802	0.3
125.09721	5.7
127.07668	0.4
131.03494	0.5
131.05008	0.2
133.05060	0.4
134.03755	0.3
135.08167	1.1
136.05293	0.3
137.06078	0.7
137.09715	4.2
139.07635	0.2
139.11314	0.2
141.09268	0.4
141.12865	1.1
142.02715	0.4
143.03522	1.0
145.05090	0.2
145.06581	0.3
147.08165	0.4
148.08890	0.3
149.04573	0.2
149.06088	0.8
149.09706	0.5
150.10478	0.4
151.11282	1.3
153.09180	0.3
155.10815	0.3
155.37529	0.2
159.08151	0.2
160.08932	0.5
161.04558	5.0
161.09703	0.8
162.10489	0.5
163.07645	0.6
163.11285	8.8
164.08429	0.4
164.11668	0.2
165.09210	0.8
165.12837	2.5
166.09941	0.3
167.10753	0.8
171.10265	0.6
173.09740	0.4
174.10471	0.3
175.11298	0.8
177.09230	0.4
177.12903	1.0
179.05580	1.5
179.10747	1.3
181.12320	2.3
183.13966	0.3
185.11810	7.4
187.11258	0.3
188.12030	0.3
189.12866	0.4
191.10809	1.4
191.14401	9.9
192.14603	0.2
193.12373	0.7
195.10242	0.3
197.11862	0.4
201.09264	0.2
202.13730	0.2
203.14467	0.2
205.12289	0.3
207.10249	4.4
208.10597	0.2
209.11812	16.9
210.12178	0.3
211.13364	1.7
213.09215	0.2
215.14360	0.3
217.15901	1.4
219.10190	0.3
219.13867	0.2
221.11884	0.3
225.11308	4.1
226.12022	0.5
227.12883	0.7
227.17984	0.8
231.10193	0.2
235.08194	1.2
237.11311	9.4
238.11699	0.3
243.17534	0.7
245.19075	19.6
246.19395	0.7
247.16978	0.6
251.12823	0.2
253.09273	40.3
254.09650	0.7
259.13455	0.2
261.18542	0.4
263.20132	3.3
265.18106	0.3
271.17004	3.1
279.19644	0.3
281.21292	0.4
287.16583	0.3
289.18069	100.0
290.18393	4.0
307.19122	96.5
308.19489	3.7
309.20657	0.3
325.20288	0.4
341.86304	0.2
367.33237	0.2
383.09262	0.2
384.05261	0.2
445.20969	1.0
525.26984	1.2
528.51306	0.2
543.17322	0.6
543.27789	4.1
544.27948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09709	0.2
55.01870	0.8
57.03448	1.8
57.61669	0.2
58.00594	0.5
59.01376	14.9
61.98832	0.3
67.01888	0.4
68.67037	0.2
69.03457	1.2
69.18763	1.9
69.19174	0.4
71.01379	10.7
72.99315	0.8
73.02950	1.8
78.93394	0.2
79.95728	0.2
80.02665	0.5
81.03439	1.9
83.01385	2.9
83.05026	1.8
85.02944	2.9
87.00877	1.7
89.02439	10.5
91.03999	0.4
93.03454	0.5
95.01397	1.1
95.05030	1.6
97.02939	2.5
97.06583	6.3
98.03759	0.3
98.19904	0.4
99.00901	0.6
101.02439	11.7
106.04251	0.5
107.05041	0.3
108.02142	0.3
109.02924	0.4
109.06573	1.2
110.03747	0.6
111.04538	0.7
113.02449	5.1
113.05996	0.3
115.07649	0.3
119.03493	3.0
119.08649	0.8
120.05824	0.4
121.06628	1.6
121.10162	0.3
123.04526	3.1
123.08142	1.9
125.02467	0.5
125.06060	0.8
125.09724	6.0
127.07651	0.3
131.03542	0.3
133.05104	0.3
133.06567	0.3
135.08145	1.1
136.05278	0.3
137.06058	0.9
137.09726	4.4
139.11331	0.3
141.09187	0.5
141.12863	1.5
142.02698	0.5
143.03494	1.1
145.06584	0.3
147.08186	0.4
148.08940	0.3
149.04643	0.2
149.06096	0.8
149.09744	0.6
150.10509	0.4
151.11273	0.8
157.05002	0.3
160.09003	0.5
161.04565	5.1
161.09662	0.7
162.10478	0.4
163.07634	1.0
163.11285	8.4
165.09193	0.6
165.12834	2.0
166.10025	0.3
167.10770	0.8
171.10246	1.0
173.09692	0.5
174.10449	0.3
175.11284	0.7
177.09251	0.3
177.12845	0.9
179.05598	2.0
179.10779	0.8
181.12369	1.5
185.11818	7.6
188.11842	0.2
189.12888	0.5
191.10814	1.2
191.14400	9.9
193.12366	0.9
197.11963	0.3
207.10255	4.1
209.11815	21.9
210.12157	0.6
211.13348	2.1
215.14336	0.3
217.15935	1.4
219.10300	0.3
219.13904	0.4
225.11330	3.7
226.11868	0.4
227.12794	0.3
227.18031	0.8
235.08234	1.1
237.11296	10.6
238.11719	0.5
243.17590	0.4
245.19080	19.1
246.19434	0.5
247.17027	0.7
253.09271	40.6
254.09679	0.9
257.55984	0.2
263.20126	6.5
271.17047	2.9
281.21249	1.3
289.18069	96.4
290.18448	3.4
307.19122	100.0
308.19461	4.1
309.20282	0.3
325.20270	0.5
363.21735	0.2
404.09067	0.2
445.21173	0.5
474.21307	0.3
525.26898	1.2
543.17053	0.3
543.18622	0.4
543.28082	5.9
544.28217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85978	0.3
55.01881	0.4
59.01373	1.7
61.98828	1.4
63.96235	0.9
67.98788	0.3
69.03449	1.9
71.01380	6.6
73.02936	1.4
78.48173	0.3
78.95910	1.2
78.98586	5.5
79.95734	9.5
80.96513	56.0
81.03439	0.7
83.01378	0.4
84.27863	0.3
85.02943	2.0
87.00875	2.3
94.98081	14.1
96.95996	3.0
96.96954	0.7
97.02934	1.6
98.19941	0.7
99.00864	1.4
101.02441	2.2
106.98090	2.6
113.02459	0.5
122.97587	2.2
125.02431	3.0
126.90381	1.6
127.04034	0.6
131.72571	0.3
134.97554	4.5
136.99123	1.6
148.99132	5.4
152.98589	4.9
152.99593	0.6
153.89018	0.3
163.11232	0.4
164.98615	11.8
167.00110	0.6
181.12361	1.1
183.10313	0.9
185.00906	0.9
186.01276	0.4
187.51334	0.4
199.13400	0.8
206.99666	2.6
207.10281	1.3
209.11815	1.7
225.00728	20.8
225.11276	1.9
240.47025	0.3
241.01123	0.7
243.12384	1.8
299.04465	2.8
317.15997	0.9
451.88037	0.4
463.11880	0.5
471.15344	0.5
481.17444	3.1
483.15463	3.0
497.17090	0.8
525.16705	4.6
543.17493	100.0
544.17657	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	543.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49292	0.5
59.01360	1.2
61.98817	1.8
63.96216	0.6
65.00327	1.1
69.03455	0.5
71.01377	5.2
71.23886	0.8
73.02943	1.3
78.98586	4.5
79.95731	7.4
80.96519	45.1
83.01373	1.1
85.02938	2.0
87.00878	2.4
94.96697	0.5
94.98083	11.6
95.01414	0.5
96.95990	2.2
97.02930	1.3
99.00862	0.8
101.02434	1.3
106.98077	1.9
107.01361	1.9
108.02209	0.8
122.97578	2.2
125.02441	2.5
127.04014	0.8
134.03735	1.4
134.97574	3.9
136.99120	1.4
148.99161	3.4
149.06035	2.3
151.00368	10.7
152.98627	3.7
164.01108	1.7
164.98625	10.5
165.01810	0.7
177.01999	1.1
196.00082	1.1
206.99675	2.6
219.46964	0.5
225.00734	15.8
225.11316	2.4
243.12474	1.0
286.04526	0.7
299.04382	1.9
301.07184	23.0
302.07458	1.3
377.47531	0.5
463.12479	11.6
543.08514	8.0
543.17450	100.0
544.09497	0.9
544.17743	6.3
565.93738	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.9
61.98832	4.5
63.96224	2.4
64.41740	0.6
69.03446	1.3
69.76176	1.2
69.76570	1.6
71.01379	14.3
71.44492	0.5
72.01735	0.7
72.99306	1.2
73.02943	3.6
78.91882	1.4
78.98593	8.2
79.95350	0.4
79.95729	31.4
80.96514	100.0
81.03461	1.1
81.95315	2.4
82.96101	2.0
83.01377	1.9
84.95108	0.9
85.02947	5.4
87.00879	5.6
89.02442	1.3
94.98083	21.6
95.01378	0.8
96.96007	61.1
97.02926	2.8
97.95944	2.2
97.96507	0.7
98.95591	52.7
98.96423	10.0
99.00874	2.5
99.04549	0.7
101.02427	5.5
106.98073	4.2
107.01418	0.7
109.06638	0.5
113.02436	1.9
122.97580	4.8
125.02460	4.9
127.04018	1.3
133.01364	0.8
134.03752	1.2
134.97577	7.6
136.99155	2.7
138.97079	5.2
140.96614	5.2
140.97430	0.7
141.11311	0.5
148.99118	7.9
149.04659	0.6
150.97066	0.7
151.00330	4.7
152.96692	0.6
152.98637	8.0
161.04602	1.0
164.01160	1.8
164.98613	16.9
179.00267	0.7
181.12416	0.7
199.13292	0.7
206.99675	4.1
207.10199	1.5
222.98947	0.9
225.00726	32.7
225.11331	2.4
239.07237	0.7
241.00229	14.7
242.00485	6.4
242.05782	1.0
242.99783	21.2
243.12318	2.0
257.08075	0.9
284.03247	6.8
285.03671	1.3
286.04059	2.0
298.04819	1.3
299.05136	6.5
300.05807	1.7
301.07150	17.9
302.07458	1.3
315.03989	0.8
317.16037	0.9
341.06033	1.0
371.07440	1.3
384.94870	0.6
385.08261	0.8
399.09665	1.0
463.12189	4.5
471.15210	2.1
485.16898	2.6
490.91733	0.6
497.17072	3.8
499.18591	1.4
525.16443	39.3
526.17090	1.7
543.06848	70.2
543.17480	52.1
543.24548	2.1
544.06628	3.1
544.17609	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54950	0.3
59.01384	1.8
59.03521	0.4
61.98819	1.4
63.96235	0.9
69.25666	3.5
71.01376	5.2
72.67805	0.3
73.02949	1.2
78.98591	4.9
79.13715	0.4
79.95739	7.6
80.96515	53.3
81.03456	0.7
83.01427	0.4
85.02952	2.1
87.00880	2.2
89.02422	0.9
94.98084	11.2
95.01381	0.4
96.96013	4.3
97.02933	1.1
99.00896	0.4
101.02431	2.8
106.98080	2.1
113.02464	0.8
113.03564	0.4
122.97601	2.6
125.02444	3.0
127.03982	0.4
134.97563	4.0
136.99142	0.4
148.99132	4.9
152.98628	5.2
157.08623	0.9
164.98624	11.4
181.12352	2.4
199.13365	3.1
206.99681	2.5
225.00734	18.5
299.04425	2.0
345.15576	3.0
365.01587	0.4
481.17429	5.4
482.18082	0.5
483.24643	0.7
499.18460	1.0
525.16449	2.6
527.77063	0.5
543.17493	100.0
544.17975	5.0
565.00739	0.4
568.72992	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.9
59.01377	0.8
60.43400	0.3
61.98822	0.7
63.02383	1.0
65.00323	4.8
65.34784	0.3
66.90848	0.3
69.43645	0.8
69.44046	1.9
71.01369	1.3
78.98563	0.7
79.95726	1.0
80.96523	5.9
82.79626	0.4
83.01384	3.2
85.02960	0.4
94.98079	1.3
96.95997	1.3
97.02940	0.5
98.20660	0.7
101.02459	0.4
107.01381	7.4
123.04505	1.5
124.01691	2.0
125.02448	8.7
130.87764	0.4
131.01350	0.5
136.01616	0.5
137.02472	0.4
148.99200	0.5
149.02426	1.0
151.00368	26.8
151.11124	0.4
152.01091	1.1
152.98595	0.7
161.02385	0.6
164.01112	0.9
164.98566	1.0
165.01929	1.0
167.03506	3.6
172.05246	1.3
173.06055	0.6
175.00323	1.6
177.01878	0.5
185.06148	2.0
186.06866	2.2
187.07562	0.6
196.05212	1.2
198.03093	0.5
199.03998	0.5
199.07614	0.7
200.04768	1.0
200.08345	0.9
201.09201	4.5
211.03989	0.7
211.07597	4.1
212.04814	0.5
213.05469	1.3
214.06444	0.4
224.04761	1.1
224.08324	0.6
225.00739	1.2
225.09200	0.6
226.02724	0.8
227.03365	0.6
227.07109	1.1
229.08702	6.6
237.05452	0.4
238.06364	0.8
239.07082	0.6
240.04248	1.0
241.05011	0.5
248.04771	0.5
251.07103	1.1
252.07892	1.0
253.08620	1.3
255.02837	0.8
255.06636	6.0
261.05533	0.6
265.05115	0.7
266.05734	1.5
277.05215	0.8
277.08676	1.0
279.06573	4.0
280.03830	0.6
283.02502	0.8
290.05826	0.7
291.06494	0.5
292.07245	0.4
293.08038	0.9
295.06436	0.9
295.09695	1.6
299.04202	0.6
305.04553	1.8
305.08032	0.8
306.05295	1.0
307.02380	1.0
307.05750	0.5
308.03244	7.5
309.03922	3.7
309.07660	3.2
319.06189	0.7
319.09668	1.2
321.03812	0.5
321.07535	0.6
323.05554	3.4
327.28671	0.4
333.03979	1.0
333.07745	0.6
334.04752	1.0
334.08325	0.9
335.05658	0.6
335.09048	1.7
336.06381	2.1
337.07156	12.5
337.10757	0.5
338.07477	0.5
351.05026	1.0
351.08792	0.6
352.09576	0.4
362.08167	2.1
363.08713	9.1
364.09143	0.6
375.07172	0.5
380.09006	15.1
381.09763	44.1
382.09995	2.3
393.09854	0.5
423.10764	0.7
499.12250	0.9
525.14063	5.7
526.14099	0.6
543.14917	100.0
543.20947	5.6
544.15247	6.4
544.22290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28278	0.1
57.03433	0.2
58.00575	0.2
58.45730	0.1
59.01377	8.3
61.98823	0.7
63.02419	0.3
65.00329	0.3
67.21500	0.2
67.64996	0.2
69.03421	0.3
69.19463	1.5
70.10390	0.2
71.01379	2.4
71.04992	0.2
72.99306	0.2
73.02940	0.7
79.95715	0.3
80.96490	0.2
83.01376	0.4
83.05051	0.2
85.02948	0.8
87.00861	0.3
89.02433	1.9
93.03475	0.3
95.01379	0.3
96.95998	0.7
97.06557	0.3
98.03703	0.2
98.19849	0.3
99.00876	0.2
99.04488	0.3
101.02432	1.9
102.04816	0.2
107.01375	0.4
108.58517	0.2
109.06598	1.1
111.04510	0.5
113.02457	1.4
115.00372	0.3
116.97253	0.2
119.03488	0.6
120.99703	0.2
121.02951	0.2
121.06573	0.2
125.02396	0.2
125.09745	0.2
130.44424	0.2
131.03403	0.2
133.02998	0.2
135.08173	0.2
143.03477	0.3
143.10771	0.2
151.00368	0.9
151.11238	0.2
155.10757	0.9
159.04524	0.2
161.04524	0.6
167.10742	0.3
171.10245	0.6
177.01814	0.2
179.05591	0.3
183.04489	0.4
185.11725	0.2
187.03900	0.3
191.14493	0.2
195.13869	0.5
199.03983	0.2
199.09743	0.7
203.07054	0.2
211.03981	0.2
213.01752	0.2
227.03467	0.6
229.08669	0.5
230.09373	0.2
235.08275	0.3
245.19058	0.6
248.10101	0.2
253.09254	3.2
255.02957	94.9
256.03418	3.2
271.17056	0.2
283.02448	64.3
284.03156	9.8
285.03952	3.6
289.18063	15.3
290.18253	0.3
297.03992	1.1
307.19183	1.5
313.03500	5.9
314.03809	0.2
327.04965	0.8
338.24069	0.4
339.24341	0.3
353.10233	0.3
381.04773	0.3
381.09744	6.2
382.10098	0.2
409.17792	0.4
427.18811	0.2
446.08487	100.0
447.02444	0.2
447.08826	5.1
483.29739	1.0
501.30283	0.3
525.26154	0.2
543.15106	1.5
543.32043	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.9
60.99305	14.1
61.98813	0.3
65.45818	0.2
69.03445	0.4
69.56445	0.5
69.56850	1.0
71.01385	1.4
72.99316	0.2
78.95911	1.3
78.98586	0.3
79.95715	0.5
80.96514	3.4
85.02941	0.7
87.00870	0.9
88.00400	1.5
88.98802	100.0
89.02440	5.8
89.99132	0.5
91.22674	0.2
94.98092	0.9
96.95996	1.6
97.02972	0.4
101.02457	0.5
106.98088	0.2
113.02423	0.5
115.00367	0.7
124.78174	0.2
133.01405	0.6
134.97591	0.3
148.99074	0.4
152.98550	0.4
152.99617	1.4
164.98613	0.7
181.12311	0.7
197.11847	0.5
207.10240	1.7
211.03883	0.2
225.00668	1.3
225.11307	2.2
241.01108	0.6
246.37450	0.3
292.80319	0.3
301.14600	0.3
341.06717	0.3
345.17068	1.0
389.15897	0.3
451.32565	0.3
461.10638	0.5
481.22839	1.0
541.16187	9.2
542.16040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.9
59.01373	4.0
61.98866	1.1
62.31382	0.3
63.02423	0.7
65.00317	3.3
69.29214	0.6
69.29611	2.4
71.01440	1.0
79.95777	0.6
80.96512	4.1
81.03484	0.7
83.01389	1.8
85.02993	0.4
89.02512	0.6
94.98127	0.8
96.96072	1.1
98.19806	0.6
101.02505	0.5
107.01388	5.4
113.02531	0.4
123.04585	0.9
124.01741	1.1
125.02446	7.5
131.01407	0.3
137.02467	0.5
148.99207	0.5
149.02528	0.6
151.00365	17.4
152.01126	0.7
153.02066	0.5
159.04564	0.4
161.02475	2.0
163.00560	0.3
164.98665	1.0
165.01909	1.6
167.03519	2.3
172.05319	2.5
173.06071	0.7
175.00439	1.3
175.03998	0.8
177.02048	0.4
182.03806	0.5
183.04567	0.7
185.06073	1.6
186.06920	1.3
187.04111	1.0
187.07742	1.1
188.04774	0.4
189.01933	0.5
193.01416	0.5
195.04541	0.3
196.05325	1.0
197.06104	0.5
199.04028	0.8
199.07654	0.9
200.04782	1.6
200.08360	0.4
201.09282	2.9
209.06091	0.4
211.04012	0.7
211.07622	2.9
213.05684	1.0
215.03546	0.5
215.07176	0.5
221.06192	0.4
224.04845	1.0
225.00827	1.1
225.05634	0.8
225.09166	0.5
226.02716	0.7
227.03610	0.9
227.07210	1.3
229.08694	6.7
233.06024	0.4
237.05693	0.9
238.06424	0.4
239.07153	0.4
240.04294	1.1
241.05006	0.7
248.04724	0.5
249.05722	0.6
250.06439	0.6
251.03520	0.4
251.07066	0.4
252.07918	0.5
253.05040	0.4
253.08844	1.4
255.03104	0.3
255.03822	0.5
255.06601	5.1
256.03882	0.4
261.05499	1.8
263.03479	0.5
264.04318	1.1
265.05133	1.5
266.05847	1.0
267.06702	0.3
267.10175	0.4
277.05075	1.4
277.08536	0.6
278.05957	0.6
279.03122	0.4
279.06680	1.5
280.03867	0.8
281.04727	0.4
283.02380	0.7
289.18155	0.8
290.06104	0.4
291.06512	0.4
293.04752	0.6
293.08185	0.7
295.02606	0.5
295.06305	0.7
295.09784	2.2
305.04547	5.2
305.07773	0.6
306.05273	1.1
307.02469	0.9
307.06152	0.9
308.03256	13.0
309.04062	4.5
309.07712	1.5
309.11136	0.4
319.09683	0.5
321.04004	1.2
321.07458	0.5
322.04721	1.0
323.05560	3.2
324.06375	0.5
333.03934	2.0
334.04871	1.2
334.08484	0.9
335.05728	0.6
335.09332	0.6
336.06335	2.3
337.03036	0.7
337.07135	14.1
338.07562	0.5
351.04770	1.6
352.05560	0.5
352.09576	0.5
362.08032	0.8
363.08777	3.7
380.09039	7.3
381.09784	46.7
382.10013	2.3
392.46942	0.4
423.10843	0.6
469.11313	0.4
471.09229	0.8
499.11652	0.8
525.14075	1.9
543.14948	100.0
544.15247	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
61.98823	0.7
69.46719	0.9
69.47128	2.3
71.01382	2.4
73.02953	0.6
76.51075	0.4
79.95742	3.8
80.96500	2.5
87.00877	1.2
93.81224	0.6
96.96009	100.0
98.19875	0.6
99.00874	0.7
101.02435	1.1
113.02433	1.1
114.62809	0.5
115.00367	0.5
122.97597	0.8
133.01515	0.5
138.97076	9.0
145.08719	0.8
150.97098	0.8
164.98633	0.8
168.98099	1.2
180.98035	0.7
214.18358	0.5
222.99182	1.4
241.00227	39.1
284.03278	7.8
298.04837	1.3
299.05594	6.8
341.06711	0.8
345.17142	0.9
371.07513	2.0
407.17139	0.7
472.85526	0.5
541.06555	58.0
542.07056	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	541.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
58.00587	1.2
59.01377	38.2
61.98817	2.9
69.03452	1.7
70.92206	1.5
71.01378	34.9
72.99300	1.7
73.02941	6.6
75.00877	0.8
80.96497	1.2
81.57683	0.6
83.01377	2.8
85.02947	7.7
86.00078	1.2
87.00860	4.5
89.02441	41.5
95.01382	1.8
96.96002	6.5
97.02946	1.8
99.00869	2.8
99.05969	0.6
101.01796	1.1
101.02441	19.4
111.00871	1.8
113.02445	7.2
115.00372	0.7
119.03519	4.0
121.02956	0.9
125.02422	3.9
131.03496	15.3
131.44862	0.6
133.01428	1.0
135.04506	3.5
143.03430	1.1
149.04544	16.8
161.04539	2.6
163.04079	0.6
173.08206	0.8
187.13417	2.7
191.05594	8.9
195.06647	0.8
215.09200	1.0
233.06654	1.0
293.08810	3.5
334.67599	0.8
349.18643	5.9
392.50562	0.9
426.15820	0.9
459.14908	0.7
460.14233	1.0
481.22864	100.0
482.23392	4.0
497.17331	0.9
505.26453	1.5
541.15411	1.7
541.22229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41504	0.2
55.01888	0.5
56.59293	0.2
59.01383	1.6
60.29308	0.2
61.98829	2.5
69.50930	1.9
71.01382	2.4
72.99296	0.3
73.02931	0.6
79.95730	3.4
80.96519	1.8
82.95420	3.1
83.01371	0.4
85.02962	0.7
87.00868	0.4
89.02454	0.4
94.98087	0.7
96.96009	100.0
98.19897	0.6
99.00867	0.3
101.02457	1.6
107.01453	0.3
113.02465	0.8
115.00367	0.7
122.97592	1.0
133.01416	0.7
134.03769	0.3
138.97050	1.1
150.97069	0.6
151.00420	0.4
152.98640	6.2
152.99876	0.3
160.44724	0.3
180.98152	2.1
199.32779	0.2
241.00227	78.6
242.00491	1.2
256.03763	0.6
284.03256	29.4
285.03607	1.2
299.05603	17.8
300.06003	0.8
301.14481	0.4
329.14194	0.3
345.16931	0.7
363.18069	0.5
379.14587	0.3
379.41699	0.3
381.97211	0.3
389.16135	0.4
394.68851	0.3
407.16748	1.4
425.17920	0.3
464.79306	0.3
514.37494	0.3
525.87122	0.3
540.34644	1.4
541.06549	39.6
542.06934	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	540.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71631	0.5
61.98830	100.0
71.55139	0.7
73.56086	0.5
77.58696	0.5
96.96016	1.1
98.09587	0.5
140.99886	0.5
268.64734	0.6
298.45508	0.6
455.35202	6.7
458.36801	0.8
540.33026	62.4
541.33148	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	541.0657
Annotation	Isoscutellarein 4'-methyl ether 8-(2''-sulfatoglucoside)
Peak:m/z	Relative Intensity
59.01372	1.8
61.98820	1.3
68.08208	0.8
69.64960	1.6
69.65372	3.2
71.01373	2.0
79.95732	4.3
80.96505	2.3
85.02979	1.2
87.00864	0.9
96.96008	100.0
101.02468	1.0
113.02381	0.8
122.97562	1.1
138.97050	10.0
180.97995	1.3
202.81717	0.9
212.92650	0.8
222.99152	1.1
241.00217	38.0
246.23285	0.8
256.03699	1.0
262.51733	3.6
270.02917	5.4
284.03293	12.4
298.04648	1.4
299.05539	6.6
301.14624	1.1
310.00766	1.6
345.16986	1.2
357.50757	0.9
371.07794	1.4
371.21021	0.8
407.17114	1.2
541.06525	60.6
542.06921	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	540.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23521	0.4
53.94961	0.5
58.00600	0.5
59.01381	0.9
61.98813	1.2
65.36456	0.6
71.01376	1.4
71.54987	0.5
72.00906	12.0
73.02953	0.4
83.01380	0.5
85.02951	0.4
87.00869	1.6
89.02444	0.9
91.05560	0.5
93.49213	0.4
96.96017	1.6
101.02420	0.5
103.05519	0.9
109.02937	0.4
113.02432	0.6
119.05006	0.6
119.81670	0.4
121.02968	1.2
122.03748	0.4
123.64251	0.4
129.02007	0.5
135.04529	0.4
145.02927	1.1
147.04514	41.4
147.88518	0.5
148.04866	1.1
149.02425	9.2
150.03214	16.0
161.02448	0.8
161.04535	2.2
162.03232	1.2
163.04016	0.5
164.04831	5.5
164.07153	100.0
165.05557	39.5
165.07603	1.5
166.05931	0.6
177.05522	1.2
180.04251	1.6
180.06728	0.6
185.29561	0.4
195.06613	18.8
195.43384	0.5
327.10825	15.6
338.47015	0.5
357.11832	1.5
395.34470	0.5
422.46683	0.5
443.65363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2626
Annotation	CHEBI:68153
Peak:m/z	Relative Intensity
57.01679	0.3
57.03427	0.9
57.44616	0.4
59.01372	2.3
61.98814	1.2
63.03093	0.4
63.52420	0.4
65.13393	0.4
71.01360	1.0
71.55260	0.4
73.97621	0.4
76.10622	0.4
76.81197	0.4
78.95898	26.4
88.80450	0.4
96.96943	2.2
97.06544	0.6
99.08138	1.5
111.08141	0.7
113.09746	2.5
123.08192	0.7
129.09196	2.7
133.01505	0.6
133.02907	0.4
134.03769	0.7
139.11310	0.7
144.32576	0.4
150.98006	0.5
151.11208	1.1
152.99577	35.9
155.10674	0.4
167.14439	0.5
169.12311	2.3
171.00587	2.8
171.10233	1.9
177.70595	0.4
178.02684	0.9
181.12332	2.7
183.13875	1.5
193.12305	1.7
197.11816	8.3
199.13368	3.9
207.10347	0.4
209.00803	0.4
209.11745	0.5
211.13385	12.1
227.03262	3.7
227.12831	0.8
245.04251	1.5
249.22166	0.7
265.21515	0.5
275.09164	1.3
275.19937	1.0
293.21228	10.6
308.70297	0.4
311.22256	34.2
312.22543	1.5
361.70508	0.4
447.21347	1.4
457.66382	0.5
468.08395	0.4
479.29242	0.5
528.58392	0.6
539.26178	100.0
540.26630	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2263
Annotation	Pulcherrin C
Peak:m/z	Relative Intensity
59.01381	31.8
61.98831	18.1
70.28905	20.1
71.01375	27.1
75.00858	9.6
76.65455	4.7
85.02947	7.8
88.98777	23.0
89.02457	14.7
96.96026	13.1
101.02448	11.0
113.02526	5.5
115.00362	10.1
132.19763	5.0
133.01407	10.9
135.72762	4.3
149.04514	16.7
215.07027	7.5
225.11316	5.6
240.78059	4.8
246.66087	4.9
284.03091	7.9
285.04108	9.6
286.04086	7.2
287.04620	5.3
325.14447	9.5
343.15530	11.1
361.16684	5.3
370.62827	4.7
387.14368	15.5
405.15576	8.7
447.09415	6.7
449.09769	20.9
493.96686	5.5
539.22839	100.0
539.31488	8.3
539.34442	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	539.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.1
59.01378	93.0
60.99291	2.5
61.98826	6.3
69.03440	3.4
71.01381	34.5
72.99313	11.5
73.02932	6.0
75.00883	1.7
78.95901	46.9
80.96513	8.4
83.01398	3.1
85.02954	6.0
87.00882	2.4
88.98793	5.3
89.02441	12.1
91.00341	2.3
93.13499	1.7
96.96004	3.1
96.96961	9.8
97.02935	2.7
98.20681	3.0
99.96525	1.7
100.26517	1.8
101.02428	12.0
113.02440	8.5
115.00357	10.6
123.00816	2.1
133.01421	7.8
134.03772	2.8
135.04533	5.0
139.88438	1.4
141.30528	1.5
149.09735	2.1
152.99588	38.6
158.03665	1.5
160.05223	2.0
161.04544	3.6
161.05917	2.1
164.98688	1.8
167.10782	1.7
173.06067	5.5
173.08180	2.6
174.06851	4.2
175.07626	3.4
179.14273	1.8
183.13962	2.7
187.07637	6.4
188.04921	1.9
189.05466	2.9
195.13873	8.3
198.03177	4.4
199.04001	2.7
199.07639	2.4
199.09666	2.0
200.08417	3.1
201.05537	2.1
203.07085	2.6
205.12401	5.7
211.13376	51.1
212.13675	2.5
215.07088	2.0
217.04897	2.5
217.08723	2.0
223.13374	35.1
227.07127	9.7
228.07863	5.0
229.08722	4.3
231.10307	2.7
241.01186	21.0
245.08186	5.7
246.08989	5.4
247.09735	3.2
253.09238	5.4
267.12384	2.2
275.09341	3.4
290.07935	9.5
315.04855	5.9
325.14526	2.4
343.15427	3.2
359.12723	5.6
378.10669	2.7
387.14407	7.5
399.23883	9.5
405.15414	23.1
417.25177	5.1
423.12674	6.1
423.17368	3.2
447.22528	5.2
459.26071	7.1
479.25406	2.3
479.32501	2.9
539.18903	100.0
539.28955	10.2
540.19342	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29622	0.6
54.51123	0.6
55.01867	1.5
56.70297	0.6
57.03437	1.4
58.00589	0.8
59.01104	1.0
59.01381	13.3
59.49464	0.6
61.98843	1.5
62.72886	0.7
65.90535	0.6
68.08118	0.6
71.01009	0.9
71.01380	13.1
72.99291	1.4
73.02942	5.8
75.00912	0.7
83.01392	3.5
85.02953	7.7
86.00071	0.9
87.00875	1.4
89.02452	4.6
93.03450	1.6
95.01363	1.3
96.96018	3.2
97.02975	1.0
99.00874	2.2
101.02448	12.8
104.46757	0.6
111.00878	0.7
111.89246	0.7
113.02444	6.0
115.00332	0.8
119.03468	1.7
121.02956	4.3
122.03737	3.5
123.04513	1.0
133.01427	0.8
133.02957	5.0
134.03717	2.5
135.04474	0.7
136.01677	1.1
137.06029	0.7
143.03380	0.6
145.02805	0.7
147.04544	1.4
149.02434	23.0
149.06059	1.9
150.03221	30.0
161.04541	1.8
164.04822	5.8
165.05566	29.1
165.07056	0.7
166.06348	4.6
167.07108	1.4
171.10219	2.3
179.03459	0.9
180.04263	1.9
181.08694	5.7
195.06607	9.3
201.11333	3.0
225.11288	1.0
253.09184	2.2
283.09747	0.9
314.11557	5.2
326.12485	0.7
329.13913	12.7
343.13943	10.7
381.17575	1.3
397.14847	0.7
461.20325	1.0
471.71121	0.7
479.21527	0.8
491.19205	100.0
492.19360	6.0
539.21405	21.0
540.21655	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12633	0.7
55.72051	0.7
59.01377	26.6
62.63441	0.7
71.01377	23.5
71.53799	1.3
72.99301	1.1
73.02934	1.9
78.95905	1.0
83.01369	1.1
85.02948	5.0
87.00869	7.0
89.02442	36.9
90.45012	0.7
95.01357	2.7
96.96011	1.2
99.86916	0.8
101.02438	19.3
111.00827	1.0
113.02445	16.6
119.03500	7.4
125.02419	2.0
128.95490	0.8
129.01898	0.8
131.03468	2.4
142.79213	1.0
143.03476	3.3
161.04546	9.4
179.05600	30.3
180.26910	0.9
221.06654	15.9
226.97443	1.0
281.08731	1.7
287.87189	0.7
292.64117	0.7
299.52301	0.9
323.09927	3.7
341.10831	6.2
377.08496	15.0
380.44583	0.8
466.71356	0.8
503.16168	100.0
504.16956	4.5
539.13812	65.7
540.14056	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	539.1912
Annotation	Pilosanol A
Peak:m/z	Relative Intensity
56.60833	0.4
57.03443	1.1
59.01104	0.8
59.01379	8.9
59.05009	0.5
60.99299	0.5
61.98824	2.8
63.12675	0.4
69.03452	2.3
69.44185	3.7
71.01384	8.1
71.05013	0.5
71.30756	0.5
72.99332	1.0
73.02935	0.9
78.95902	48.2
80.96519	2.7
83.05036	0.7
85.02949	1.2
85.06584	0.7
87.00893	1.2
88.98782	0.9
89.02431	1.4
94.98090	0.8
96.96000	1.5
96.96961	12.0
97.02962	3.4
97.06571	0.9
101.02416	1.7
103.03974	0.6
109.06602	0.7
111.08163	1.4
113.02455	1.2
115.00373	2.4
119.03455	0.6
127.07639	0.8
133.01418	1.8
133.02945	0.8
135.04564	0.6
150.97943	0.5
152.99577	38.9
154.84256	0.6
155.10791	1.5
159.04433	1.3
161.04489	0.8
164.98576	0.9
167.10741	2.8
171.00626	0.6
171.06465	0.5
173.06015	1.5
173.08200	2.7
174.06845	1.4
175.07587	0.6
179.05626	0.6
179.10754	1.5
179.14397	2.5
183.13840	0.8
187.07652	1.3
189.09189	0.7
195.13896	10.5
198.03232	0.8
199.03914	1.0
199.09766	2.0
203.07133	1.1
205.12300	7.5
211.13393	17.8
217.08746	0.9
223.00139	1.7
223.13379	37.3
224.13795	1.4
225.00568	0.6
227.07228	2.8
228.07759	1.1
229.08653	1.4
241.01173	26.0
245.08131	2.3
246.08844	0.6
253.09274	2.0
275.09262	2.7
290.07971	3.2
315.04880	6.5
343.15475	1.6
359.12668	6.4
372.12119	0.5
387.14484	1.5
405.15533	5.8
423.16998	1.1
447.22232	2.1
457.06656	0.6
539.18909	100.0
540.19482	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	539.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61536	1.2
59.01102	2.1
59.01377	26.0
61.98812	1.3
69.43900	6.9
71.01380	24.3
73.02946	2.2
78.15396	1.1
83.01395	1.2
85.02944	5.8
87.00881	6.5
89.02447	35.2
95.01347	2.0
96.98808	1.1
101.01801	1.3
101.02438	18.2
106.53117	1.3
110.92633	8.8
113.02454	19.4
119.03467	6.5
131.03528	2.3
143.03499	4.6
161.04567	11.1
164.63020	1.4
164.80655	1.2
179.05603	27.3
221.06668	13.0
238.26955	1.4
281.08734	1.4
323.09799	4.8
341.10828	5.2
356.19748	1.3
357.07843	1.4
371.93808	1.5
377.08459	13.5
383.11746	1.8
478.07092	1.3
503.16171	100.0
504.16406	3.6
539.13782	63.9
540.13922	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34856	0.8
55.01855	0.8
57.03434	1.0
59.01381	42.7
60.01704	2.2
60.14561	0.8
61.98825	6.6
64.47789	0.8
71.01385	25.3
72.01720	1.8
72.99303	1.9
73.02944	3.1
75.00873	2.4
78.95914	2.7
83.01412	2.2
84.28863	0.9
85.02950	4.8
87.00874	2.8
88.98817	0.9
89.02444	9.7
91.05511	1.0
93.90264	1.0
94.84681	0.9
96.96004	1.9
97.02941	2.5
98.19879	1.9
99.00873	1.2
101.02451	10.1
101.04488	0.9
113.02447	5.8
115.00373	9.6
119.03500	2.8
119.05064	1.2
121.06585	1.0
127.07735	0.8
129.07031	0.8
133.01419	5.0
133.02946	1.1
134.03780	1.6
135.04529	22.8
147.04497	3.4
149.06018	1.3
152.99544	1.1
155.10814	0.9
161.04564	1.1
163.01282	0.9
171.04553	2.4
172.05112	1.5
173.06030	1.8
175.03999	3.2
179.03520	13.5
185.06075	2.3
186.06868	1.4
187.04008	1.1
187.07611	2.0
191.03528	1.5
198.35059	1.0
199.07758	1.7
200.08383	1.7
201.05620	2.0
201.08907	1.1
202.06271	1.3
203.07118	1.5
206.07391	1.4
207.08133	3.2
211.13408	5.5
214.06319	0.9
215.06915	1.1
217.08682	1.1
219.02998	5.3
219.08154	0.9
227.07042	1.3
231.10077	1.4
236.43330	0.9
238.06340	1.1
245.08138	0.9
248.08286	1.0
251.07114	1.7
261.13028	1.7
262.10022	0.9
263.07037	2.7
264.07904	1.8
265.05130	2.1
265.12335	1.1
271.05991	1.1
275.10739	1.4
277.09286	0.9
277.12378	2.7
278.09567	1.4
287.10831	3.5
289.08841	1.5
289.12286	2.6
291.06396	1.4
292.07373	1.0
293.11890	3.3
295.06107	6.4
298.04797	1.4
303.10309	1.4
305.08289	1.6
305.11813	6.6
309.07660	0.9
310.04965	3.8
312.13181	1.5
315.10287	2.0
317.08234	1.0
319.09689	1.3
321.11288	3.7
322.08453	1.1
331.09857	0.9
333.11240	7.4
335.05563	1.1
337.10880	7.5
340.08319	1.4
349.10703	7.7
350.07870	2.2
350.14157	1.2
359.09201	1.5
365.10269	18.8
372.15424	1.5
375.26715	2.0
377.10294	39.7
378.13452	2.8
387.14346	1.3
390.16418	1.1
394.12955	16.3
404.18066	1.8
405.15518	2.4
422.12454	100.0
423.12650	4.9
502.26639	1.3
537.32544	53.2
538.33063	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	538.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
59.01381	11.2
60.99301	1.9
61.98827	11.1
68.99574	2.3
69.03458	1.4
71.01378	19.2
71.55454	0.8
72.99297	2.3
73.02962	1.1
78.95912	11.9
79.95715	1.2
80.96500	2.9
83.01402	2.1
83.05015	1.2
85.02946	1.8
87.00862	3.7
88.98810	5.5
89.02451	3.7
89.99155	0.8
92.79485	0.8
94.98090	1.1
96.96012	2.4
96.96963	2.7
97.02930	1.4
101.02441	3.3
107.05021	0.8
109.96076	0.8
112.98575	4.2
113.02435	2.2
115.00371	10.8
116.23788	0.7
117.07155	1.0
119.05045	1.2
122.06163	0.9
123.04482	0.7
127.00140	0.7
129.07146	1.1
133.01433	5.4
133.02940	1.2
134.03738	2.1
135.04510	21.4
145.06647	2.0
147.04477	3.3
148.05254	1.0
149.06082	1.4
152.99588	9.4
157.06538	2.0
159.04459	1.9
167.10728	1.2
171.04520	3.8
172.05023	1.8
173.06058	3.7
174.03154	1.2
174.06606	1.7
175.04005	4.9
175.07648	2.4
179.03494	12.1
185.00897	1.4
185.06017	2.3
186.06770	2.1
187.04013	1.5
187.07571	3.5
191.03510	1.8
195.13899	2.4
199.07587	1.8
200.08371	3.8
201.05534	1.7
201.08908	1.9
202.06071	1.1
203.07054	1.1
204.07799	0.9
205.08501	1.0
205.12337	0.9
206.07260	1.0
207.08098	1.0
209.06042	1.0
211.07614	1.2
211.13339	5.8
215.07016	1.6
217.08652	2.3
218.02298	1.2
218.09004	0.9
219.02989	3.1
223.13371	7.2
227.07019	1.6
229.08643	1.3
230.09216	2.5
231.09818	1.5
232.07317	1.5
235.07672	1.5
241.01141	5.6
245.08298	1.5
246.08902	0.9
248.10323	2.2
249.05608	1.4
253.09224	0.9
263.07056	1.4
264.07840	1.4
265.04935	1.9
265.12265	2.1
266.05881	1.3
275.10800	2.5
277.08789	1.6
277.12314	2.9
278.09412	1.0
287.10663	1.5
288.07944	1.3
289.12094	1.3
290.07990	0.8
291.06815	1.3
291.10184	1.1
293.11682	6.9
294.12186	1.0
295.06125	2.7
298.04803	1.1
298.15198	1.2
298.73138	0.9
303.10242	3.1
304.07465	0.8
305.08371	1.2
305.11807	2.7
310.04745	4.5
310.15164	1.0
315.04767	1.5
315.09967	1.5
321.11310	5.4
322.08524	1.6
333.11151	4.4
334.04846	1.9
337.10803	12.8
340.21237	2.9
347.09219	2.6
349.10730	5.1
350.07858	2.9
350.14044	1.9
359.12549	1.5
365.10300	35.8
366.10098	1.2
372.15601	1.3
377.10278	37.6
378.09900	1.2
378.13965	1.2
387.14389	1.2
390.16364	1.7
394.12875	8.8
404.18240	1.2
405.15491	3.4
422.12439	100.0
423.12711	5.8
502.25980	1.0
537.32349	9.7
538.33551	6.4
539.18835	30.1
539.27332	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54841	0.7
50.99630	0.7
56.92212	0.6
58.81893	0.6
59.01318	1.0
62.84596	0.6
71.54653	0.7
72.86430	0.6
85.53610	0.8
88.51388	0.7
96.95932	1.5
168.22563	0.8
226.92789	0.7
315.57486	0.7
342.91348	0.8
407.32681	1.0
417.84338	0.7
455.35275	100.0
456.35678	6.1
537.35651	68.1
538.35583	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	537.3281
Annotation	Virenamide A
Peak:m/z	Relative Intensity
54.65036	0.2
55.01862	0.5
57.03438	0.8
58.00588	0.8
59.01379	17.7
60.75882	0.3
61.98816	0.8
69.03454	0.3
69.20259	2.8
71.01377	9.0
72.99297	0.8
73.02932	1.1
73.08360	0.2
83.01382	0.8
85.02955	3.1
87.00875	1.5
87.04517	0.6
89.01923	0.5
89.02441	6.0
95.01373	0.8
96.96027	0.7
97.02946	0.3
97.06611	0.3
98.20596	0.6
99.00863	0.5
101.02443	5.9
102.75694	0.3
113.02454	2.9
115.00375	1.4
119.03487	1.8
123.08155	0.3
133.01411	1.2
157.12340	0.6
169.12401	0.5
171.04456	0.5
171.10205	0.3
173.06024	0.6
175.07684	0.4
185.11855	0.7
187.07516	0.4
188.38333	0.3
199.07716	0.3
200.08389	0.4
201.09248	0.3
203.07088	0.4
214.06374	0.3
215.12825	0.9
219.06329	0.3
225.09079	0.3
229.08649	0.3
247.09854	0.6
248.10493	0.8
265.12469	0.3
283.13248	0.8
297.14941	0.3
311.12933	0.8
315.16220	0.4
321.24420	0.4
327.16049	0.7
327.25485	0.9
329.23422	0.7
339.25366	1.1
345.17038	0.4
355.24893	0.5
357.26428	13.5
358.26755	0.5
371.14948	1.5
373.25900	0.8
375.27457	12.7
376.27893	0.4
389.15854	0.5
403.17691	1.0
421.18765	0.6
458.63388	0.3
519.31787	1.3
537.32733	100.0
538.33148	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	537.2469
Annotation	Kenusanone C
Peak:m/z	Relative Intensity
51.72424	0.5
52.65683	0.5
55.01862	0.8
57.03438	1.3
59.01368	2.0
60.46234	0.5
61.98822	1.3
69.03447	0.8
69.17830	1.7
69.18243	3.7
71.01370	3.6
71.05016	0.6
75.32085	0.5
78.95901	29.2
80.02687	0.7
81.03458	1.1
83.01373	3.6
83.05018	2.0
95.04990	0.7
96.96951	2.8
97.06577	1.6
111.08133	0.8
115.00358	1.4
123.04514	1.0
123.08158	1.5
125.09699	4.1
133.01419	1.7
133.02925	2.7
134.03716	1.5
135.04480	1.1
135.08122	0.9
137.02408	0.8
137.09761	0.5
139.11287	2.7
147.11760	0.7
151.07649	0.6
151.11241	2.5
152.99585	41.1
161.09731	0.7
163.11276	3.6
165.12845	7.6
166.30151	0.6
167.10741	2.0
168.11610	0.6
171.00656	2.9
177.01952	3.3
178.02742	3.4
179.03482	1.0
181.12300	4.1
191.10767	2.7
193.15952	2.4
209.11807	23.0
209.13808	1.2
211.13412	1.3
225.11305	0.8
227.03236	4.0
245.04330	1.5
247.20659	4.7
263.20169	1.0
265.21658	1.2
273.18600	1.4
281.21176	1.2
291.19650	20.5
292.20087	1.3
308.44470	0.5
309.20694	17.7
318.00012	0.5
332.29236	0.6
403.17773	0.9
445.19940	1.8
452.60406	0.5
537.24658	100.0
538.24866	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	537.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.5
60.99306	14.9
61.98827	1.6
69.84686	1.8
71.01385	7.5
72.99293	1.3
73.02936	1.4
75.00853	0.9
78.95919	0.5
85.02966	1.0
87.00871	3.3
88.98805	100.0
89.02441	5.9
89.99189	0.5
96.96008	1.1
97.02943	0.9
98.19906	1.0
99.00906	0.6
101.02451	1.5
104.26649	0.4
113.02424	0.8
115.00384	6.0
115.92062	0.8
133.01440	4.1
147.04453	0.9
161.04646	0.9
161.06049	0.6
171.04524	3.7
172.05341	0.6
173.06053	1.6
174.03163	0.8
174.06866	0.7
175.03943	1.1
175.07695	0.9
177.05576	0.9
179.10764	0.5
184.05312	0.5
186.06866	1.1
187.07649	2.1
189.05588	0.9
195.57817	0.6
199.07668	1.7
200.08455	3.2
201.05519	2.3
201.09192	1.7
203.07202	1.7
204.07864	1.1
211.07657	0.7
214.06342	1.8
215.07188	1.0
217.08635	1.0
226.06412	0.6
229.08691	2.0
230.09381	2.6
232.07378	2.6
232.10933	0.7
233.08113	0.6
243.06651	1.0
244.07428	0.7
247.09700	2.5
248.10478	2.1
249.11386	0.8
261.07654	0.5
262.12033	0.6
297.15027	1.4
306.07431	1.4
311.12946	1.5
315.15952	0.9
317.58664	0.5
327.16080	2.0
329.13977	1.1
345.17062	1.4
359.18750	0.8
371.15051	2.3
385.12897	0.5
389.16080	5.2
403.14023	1.4
421.18835	4.2
447.22037	3.0
537.33301	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	537.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68509	0.5
59.01113	0.5
59.01386	7.5
60.99002	1.0
60.99307	14.7
61.98826	1.9
64.92656	0.5
71.01379	8.8
71.55200	0.7
72.99295	1.1
73.02934	1.2
75.00871	1.1
78.95912	0.6
83.64950	0.5
85.02943	0.9
87.00854	4.8
88.98807	100.0
89.02447	6.1
91.08382	0.5
96.96029	1.1
97.02975	1.2
97.06611	0.7
101.02455	0.9
113.02410	0.6
115.00368	6.1
116.92833	0.7
133.01433	4.9
135.04561	0.9
159.04469	0.7
161.06068	0.7
171.04506	4.0
171.06654	0.9
172.05190	0.8
173.06032	1.6
174.06757	0.6
175.03993	1.0
175.07608	1.8
177.05548	1.3
185.06052	0.7
186.06926	1.1
187.07637	2.2
189.05597	1.7
191.07059	1.0
199.07663	1.8
200.04840	1.0
200.08350	2.5
201.05551	2.3
201.09293	1.3
202.06422	0.9
203.07080	1.8
204.07840	1.5
205.08739	0.9
207.43982	0.5
214.06319	2.8
215.07118	1.1
217.08749	1.8
218.09470	0.7
229.08690	3.1
230.09525	3.2
231.10243	1.3
232.07381	3.8
239.76274	0.6
243.06725	0.9
244.07375	1.0
247.09755	2.4
248.10507	2.3
249.11130	0.8
262.12088	0.7
265.23004	0.6
271.13385	0.8
273.23016	0.6
297.15009	2.1
306.07401	1.3
311.12805	1.5
327.16147	1.9
329.13968	1.2
345.17075	1.3
353.57855	0.6
371.14996	2.2
389.16028	6.1
403.13477	1.0
421.18857	4.8
422.18771	0.7
428.55112	0.6
433.82202	0.5
447.22382	3.2
537.33130	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	537.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42339	0.6
59.01380	7.6
60.99308	15.5
61.98822	2.8
65.07298	0.6
69.03487	0.7
71.01386	3.9
71.54841	1.2
72.99290	1.0
73.02925	0.9
80.24756	0.6
83.01385	0.7
85.02956	1.5
87.00879	1.4
87.17396	0.7
88.98806	98.6
89.02444	4.2
96.96002	3.1
101.02423	1.8
107.01429	1.4
113.02464	2.1
115.00374	1.3
119.03493	1.8
133.01399	1.8
133.02989	1.8
134.03717	0.9
136.01646	0.9
139.11287	0.8
149.02425	0.7
149.04512	0.6
151.00343	1.9
151.04021	1.5
175.04013	1.3
182.30652	0.7
183.10295	0.8
193.05038	2.1
199.04007	0.8
203.12903	0.9
223.09789	0.7
225.80141	0.6
243.12320	2.7
256.03778	1.5
265.10501	0.9
284.03247	40.4
285.04031	84.1
286.04340	3.3
297.04068	0.9
310.57770	0.6
311.25510	0.7
327.05121	0.8
345.13348	1.2
375.14401	0.7
403.13794	1.7
447.09305	100.0
448.09558	4.9
477.23386	1.0
537.21912	1.5
537.32245	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	537.1983
Annotation	Tanegoside
Peak:m/z	Relative Intensity
58.40305	0.6
59.01374	3.1
61.98846	4.9
63.32940	0.6
65.74717	0.5
70.39574	2.3
71.01369	2.4
80.16048	0.6
89.02433	1.8
96.96004	11.7
101.02459	1.4
108.02201	1.5
109.02946	23.5
121.02943	2.8
123.00871	1.3
123.04521	1.3
124.01651	1.0
125.02436	0.8
133.02959	1.4
135.04518	2.4
136.01649	15.3
137.02402	2.1
143.05040	0.6
145.02905	2.1
146.03706	3.1
147.04500	1.6
150.03204	1.2
151.03999	19.3
158.03706	1.3
159.04549	1.6
160.05286	0.9
161.04597	0.9
161.06049	2.9
164.99263	0.6
165.05478	0.6
171.04504	0.7
172.05275	2.1
175.04028	6.1
175.07529	0.9
176.04800	5.2
178.02620	0.8
180.72255	0.6
189.05623	4.4
190.06389	4.0
191.07138	6.8
193.05054	2.5
211.07617	0.9
223.07596	1.2
239.07085	3.3
242.12271	0.7
249.05544	1.1
250.06313	1.5
251.07062	2.6
261.05621	1.3
262.06363	0.9
264.08206	0.8
266.05850	2.0
267.06616	43.3
268.06955	2.2
278.05753	0.9
279.06592	9.8
281.08176	1.5
282.08963	38.2
283.09393	1.4
293.08017	1.7
294.08914	5.7
296.10468	0.8
297.08139	3.6
297.11292	100.0
298.11719	3.1
309.11194	1.2
312.10010	14.1
315.12238	2.1
327.12357	68.7
328.12686	2.6
330.11011	1.2
345.13419	51.5
346.13745	1.7
357.09363	0.9
357.13431	14.2
358.13959	0.7
375.14462	73.7
376.14651	3.2
419.77386	0.7
447.13681	0.9
537.19812	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	536.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89304	0.4
59.01376	53.9
60.01717	0.6
61.98827	100.0
71.01377	3.7
71.55435	0.7
73.02952	1.3
78.37032	0.4
82.72351	0.4
85.02947	0.9
85.92750	0.4
89.02428	2.5
96.96007	2.8
101.02457	1.8
113.02452	1.6
119.03496	0.7
123.08164	0.9
131.19041	0.4
135.04529	0.4
161.04588	1.0
163.11378	1.1
179.05602	1.0
189.12877	2.0
207.13832	2.7
225.14928	0.7
387.20251	1.1
429.21194	3.6
458.54092	0.5
476.21780	0.7
536.25598	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	536.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98828	88.0
69.32870	7.6
71.01370	8.6
73.02948	1.7
84.96198	0.8
85.02946	2.8
89.02449	2.4
89.14822	0.9
96.96000	4.9
101.02440	2.9
101.36619	0.8
113.02459	4.4
130.96782	1.0
138.06873	5.0
153.09206	15.7
161.04567	1.6
176.03477	0.9
187.22911	0.9
225.14961	22.8
281.12949	1.0
369.19150	16.5
387.20016	4.2
427.13278	0.9
429.21216	32.5
430.21542	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	535.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
58.00566	0.4
59.01375	12.4
69.35291	2.5
71.01378	7.5
72.94451	0.3
72.99311	0.9
73.02930	1.3
77.75069	0.3
80.74143	0.3
83.01373	0.9
85.02934	2.3
87.00854	0.6
89.02447	4.1
89.66779	0.3
95.01411	0.8
98.20668	0.5
99.00888	0.4
101.02435	4.6
113.02427	2.1
119.03454	0.8
125.09695	1.1
125.47171	0.4
139.27205	0.3
155.10788	0.4
171.10263	3.7
211.56371	0.3
230.15062	0.4
327.21881	0.6
355.24841	5.9
373.25888	11.7
373.30685	0.6
374.26242	0.7
391.19873	0.4
517.30139	1.7
535.31195	100.0
536.31506	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	535.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91399	0.3
54.18266	0.3
55.01863	0.5
57.03429	0.6
58.00580	0.5
59.01378	22.3
61.98817	0.4
69.31739	0.9
69.32162	1.7
71.01006	0.6
71.01380	8.7
72.99301	0.8
73.02939	1.9
75.00867	0.5
83.01384	1.2
85.02937	3.1
87.00866	2.6
88.00353	0.3
89.01933	0.4
89.02444	6.3
95.01375	1.1
96.96049	0.3
99.00870	0.6
101.02440	6.9
107.23383	0.3
113.02444	3.7
115.00380	0.5
119.03500	1.7
120.16899	0.3
121.39332	0.3
125.09718	0.5
133.01416	0.4
137.09654	0.3
171.10269	0.6
173.93425	0.3
183.10332	0.4
185.11769	2.1
211.14670	0.4
268.10852	0.4
298.80798	0.3
325.23834	0.9
325.86588	0.3
337.23743	0.8
353.23343	0.3
355.24866	10.3
373.25894	6.9
384.09747	0.3
457.27841	0.5
475.29022	0.7
517.30505	0.6
535.31177	100.0
536.31525	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	535.3122
Annotation	glas#24
Peak:m/z	Relative Intensity
50.98927	0.3
51.87652	0.3
55.01860	0.6
56.47773	0.4
57.03438	0.6
58.00586	0.7
59.01377	17.8
70.55407	0.9
71.01382	8.5
72.99308	0.7
73.02942	1.3
75.00856	0.4
75.99130	0.3
81.10097	0.3
83.01388	0.9
83.05005	0.3
85.02961	3.0
87.00877	0.7
88.79319	0.3
89.02443	7.5
95.01378	0.6
95.05001	0.3
99.00911	0.3
101.02444	6.0
113.02455	3.1
119.03481	2.2
121.70043	0.3
123.08144	0.4
125.09717	1.8
127.11237	0.3
153.12831	0.5
155.10727	0.3
161.04466	0.3
171.10249	3.8
203.64142	0.3
221.11813	2.3
225.68199	0.3
227.55084	0.3
239.12892	1.0
267.97055	0.3
325.23724	1.4
337.23767	0.8
345.29034	0.4
353.23254	0.4
355.24866	23.3
356.25107	0.9
373.25897	6.3
373.30585	0.4
438.17300	0.3
475.21841	0.4
517.30151	0.6
535.31207	100.0
536.31506	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	535.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.6
58.01444	0.4
58.92667	0.5
59.01378	12.6
60.99297	2.1
61.98830	2.2
68.99551	1.1
69.03455	10.4
71.01388	3.5
71.05016	2.9
71.55474	0.7
72.99297	0.7
73.02934	1.1
75.00872	29.8
83.04995	0.5
85.02927	0.9
87.00851	0.6
89.02399	0.8
95.01376	1.5
96.96004	3.6
97.02948	6.6
98.95586	1.5
101.02444	1.5
111.08148	1.9
113.02460	1.2
113.06074	0.7
115.00371	1.2
121.02925	0.8
123.00884	2.9
123.08109	0.5
133.01422	1.7
139.11285	12.2
141.01912	0.4
154.18329	0.5
155.14235	0.5
183.10252	100.0
184.10645	2.2
235.13437	1.2
243.27502	0.5
287.22287	1.8
307.11847	1.6
313.23755	1.5
337.23767	1.5
351.10782	4.4
369.11853	0.7
373.26004	2.0
387.14517	1.0
393.23892	0.5
431.22412	0.7
449.27582	1.7
455.31418	1.3
473.32571	1.6
475.28778	0.7
491.28647	5.4
523.65137	0.5
528.67261	0.5
535.22095	8.0
535.32690	49.2
536.32904	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	534.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
57.93402	0.3
59.01376	15.2
60.01705	0.3
61.38658	0.3
61.98827	6.4
69.03452	1.2
69.33839	1.0
69.34251	1.7
71.01384	4.2
72.99321	0.5
73.02946	2.0
78.03482	1.9
79.01933	0.7
83.01393	0.7
85.02952	1.4
85.09633	0.4
88.65372	0.4
89.02444	2.5
90.02814	0.4
90.94874	0.3
94.02979	0.5
95.01392	1.0
96.95987	1.6
97.02948	10.6
99.00863	0.4
101.02439	2.8
113.02441	1.0
115.00401	0.8
119.03520	0.6
122.02479	100.0
123.00858	4.2
123.02810	1.6
129.05586	0.5
133.01422	0.7
139.11285	9.2
141.01956	1.0
149.04466	0.4
166.99828	1.1
180.06717	0.8
181.12303	3.7
183.10252	8.9
184.10738	0.4
193.05110	0.6
199.13387	2.4
221.11751	0.4
225.11296	2.8
243.12349	52.5
244.12717	1.5
285.03784	1.0
286.04425	0.8
290.03052	13.3
291.03363	0.4
337.23767	0.6
372.11508	0.4
372.24701	0.5
373.25967	0.9
380.13745	0.4
490.10941	1.1
533.30151	6.6
534.16583	3.6
534.30481	12.6
535.31390	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
58.00591	1.0
59.01375	44.1
61.98825	6.4
69.46561	1.0
69.46956	3.6
71.01379	19.0
72.99302	1.7
73.02943	3.1
75.00864	0.6
75.69550	0.5
77.38123	0.5
78.05035	0.5
80.05062	0.8
82.95410	2.7
83.01373	1.3
84.00406	0.5
84.23728	0.5
85.02942	4.7
87.00844	1.4
89.02436	19.6
93.03478	1.0
95.01368	1.6
96.95995	7.9
97.02956	0.7
99.00876	1.0
99.02354	0.7
99.04501	0.6
101.01788	0.9
101.02431	12.7
104.05042	3.1
106.06616	1.9
108.04557	2.9
113.02444	8.4
115.00358	0.7
119.03506	7.1
123.04501	0.7
125.02348	0.6
131.03476	1.0
132.04543	34.6
134.06113	23.3
135.04495	0.7
135.06421	0.6
136.01640	0.7
137.02441	2.0
143.03491	1.1
144.04532	1.5
145.58194	0.6
147.04527	1.0
148.04018	1.6
149.04510	1.6
150.05740	0.6
151.03995	1.2
151.27167	0.5
152.07126	3.1
158.02448	0.6
158.06099	3.5
160.03989	1.5
161.04546	3.0
161.05824	0.6
163.04028	0.7
164.04759	1.0
171.10234	1.4
176.03535	7.5
179.03519	1.3
179.05542	1.7
179.06972	0.7
188.03468	3.2
189.04274	0.6
190.05083	3.9
190.64931	0.5
191.05600	0.6
193.05055	1.4
201.11320	0.6
202.05028	0.8
251.11804	4.4
253.09467	1.5
255.11337	2.1
265.66620	0.6
279.08435	1.2
279.11337	15.1
280.11658	1.1
295.10745	3.0
297.12546	0.6
298.08264	1.3
306.07922	0.7
313.07605	0.7
313.10727	3.2
314.12445	2.7
323.10287	8.9
325.11008	0.7
337.11844	1.0
373.12845	7.4
415.23370	2.3
431.18289	0.8
433.24371	1.0
435.17636	6.2
459.17682	16.7
460.17719	1.1
475.16248	2.8
475.26093	1.4
493.22864	1.5
503.16653	100.0
504.17001	6.5
517.18207	7.8
535.19141	16.6
535.26709	1.1
536.19403	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3121
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
52.62552	0.3
57.78911	0.3
59.01378	3.4
60.99015	0.2
60.99307	4.6
61.98818	0.6
69.03446	0.5
70.29916	0.9
71.01383	1.2
71.05020	11.1
78.95882	0.3
82.95397	0.2
83.05035	0.3
85.02922	0.6
85.06579	0.7
89.02437	0.7
92.64597	0.2
96.95991	0.6
97.02921	0.3
98.20593	0.2
101.02424	0.7
110.31600	0.2
111.04502	0.4
112.22396	0.2
119.08650	0.8
121.02954	0.5
152.99536	0.7
157.10226	0.3
175.81992	0.2
185.00899	0.3
221.68715	0.2
243.12309	0.5
245.04129	0.3
296.59238	0.2
305.22836	0.7
307.04556	0.5
309.20865	0.3
311.22333	0.5
323.09286	0.5
323.23639	0.5
327.25372	0.5
353.13959	0.7
371.24362	1.3
377.25037	0.3
391.30078	0.3
393.27917	1.9
395.29196	0.4
405.27576	0.4
409.30798	0.4
423.29254	0.7
453.30106	2.7
457.29575	0.3
471.31006	1.6
489.32733	0.5
515.30566	0.4
533.31152	100.0
534.31488	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	533.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
57.03445	1.9
58.00587	0.7
59.01377	17.8
61.98818	0.8
69.03424	0.4
69.23753	2.7
71.01378	15.2
71.05032	0.4
72.99290	1.1
73.02945	4.9
75.00845	0.6
82.16406	0.3
83.01382	3.7
83.05040	0.3
85.02946	6.9
86.00110	0.4
87.00872	0.9
87.04487	0.3
87.92952	0.3
89.02439	6.4
95.01376	1.4
97.02929	0.5
98.20720	0.5
99.00890	1.5
101.01791	0.6
101.02434	9.7
109.66294	0.3
111.00867	0.7
113.01707	0.5
113.02436	5.4
116.70985	0.3
119.03484	1.9
123.08157	0.4
125.02478	0.3
125.09706	1.1
127.11273	0.6
129.01967	0.4
130.35591	0.3
131.03516	0.3
134.96484	0.3
137.09624	0.3
145.66670	0.3
146.42912	0.3
155.10796	0.6
159.02942	0.5
161.04564	0.8
171.13887	0.8
201.14900	0.5
284.03180	0.7
285.03973	0.8
327.25336	1.4
353.23178	0.7
362.19449	0.5
371.24286	0.8
394.18066	0.4
473.27530	0.5
489.10349	1.4
491.28293	0.7
533.29663	100.0
534.30121	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	533.2962
Annotation	fatsicarpain B
Peak:m/z	Relative Intensity
55.01876	0.7
57.03455	0.5
58.00578	1.0
59.01376	15.7
61.98830	0.5
68.99524	0.4
69.03443	0.6
71.01379	8.6
71.05032	0.6
72.99304	0.6
73.02939	1.9
83.01386	1.4
85.02950	3.2
87.00896	1.0
89.02444	4.8
90.99099	0.4
93.62303	0.4
95.01383	0.6
96.95997	0.5
97.02944	0.6
99.00883	0.6
101.02439	5.6
113.02430	2.1
115.00347	0.4
119.03500	1.7
121.02960	8.2
123.08115	0.4
125.09712	1.9
133.01454	0.4
141.09286	0.6
143.52113	0.4
157.08698	0.6
171.10254	3.5
175.02492	0.5
181.12364	0.7
199.13379	1.1
243.12311	2.3
251.78288	0.5
289.03659	0.9
341.23227	1.5
353.23346	5.0
371.24329	13.2
396.15884	0.5
482.01071	0.5
482.30292	0.5
491.28311	0.6
515.28632	1.3
533.29657	100.0
534.29926	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2963
Annotation	fatsicarpain B
Peak:m/z	Relative Intensity
55.01888	1.5
57.03451	1.7
58.00581	1.1
59.01378	21.7
61.98819	0.5
63.62482	0.3
69.03446	0.5
70.69109	0.4
70.69448	0.6
71.01381	17.2
71.05008	0.8
72.99309	0.9
73.02949	5.1
75.00866	0.6
82.64518	0.3
83.01394	2.8
85.02455	0.6
85.02947	8.6
86.00115	0.8
87.00870	1.8
89.01929	0.6
89.02443	6.3
95.01369	1.3
96.95995	1.0
97.02979	0.4
99.00895	1.9
101.02444	11.7
106.07691	0.3
111.00854	1.1
113.01705	0.5
113.02448	5.9
119.03485	1.6
123.08158	0.5
123.30418	0.3
125.09718	1.7
127.11253	0.5
129.01958	0.4
137.09805	0.3
145.09775	0.8
155.10730	1.0
159.02989	0.4
161.04491	0.6
171.00238	0.3
171.13882	0.9
188.35117	0.3
269.60986	0.3
285.03897	0.7
311.22339	0.4
327.25333	1.0
329.13864	0.6
329.23334	0.3
334.04010	0.4
362.19397	0.6
371.24194	1.2
455.26437	0.4
473.27557	0.7
489.10291	0.4
489.30731	0.3
491.28735	0.7
533.29645	100.0
534.30078	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	533.2883
Annotation	Aristophenone A
Peak:m/z	Relative Intensity
59.01381	2.2
61.98825	1.9
62.96423	0.7
73.11855	0.6
78.95906	27.8
85.06584	1.5
88.34197	0.6
96.77002	0.6
104.97511	1.1
109.82614	0.7
110.98536	17.9
137.00114	0.8
148.43642	0.5
152.99673	0.9
165.12854	1.7
166.13148	0.8
167.01157	15.1
181.12331	1.1
185.02203	4.2
199.13403	21.9
200.13702	1.3
279.19684	10.1
279.22839	1.1
292.42426	0.7
309.20740	2.2
347.25912	7.6
365.26947	100.0
366.27472	3.9
476.27563	2.3
533.28821	60.6
534.29413	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	533.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
57.03452	1.2
58.00584	0.5
59.01376	15.7
61.98811	0.6
67.10002	0.2
69.03435	0.5
71.01379	8.6
71.05004	0.5
71.56228	0.3
72.99306	0.9
73.02940	2.4
82.95376	0.2
83.01376	1.3
83.05000	0.2
84.02160	0.2
84.95096	0.2
85.02946	3.4
87.00866	0.9
87.04500	0.3
89.02441	5.9
90.27825	0.2
95.01383	1.0
96.96000	0.5
97.02931	0.5
97.06558	0.3
99.00869	0.7
101.01793	0.4
101.02435	5.4
101.06077	0.6
113.02441	3.1
115.00375	1.2
118.06674	0.2
119.03508	1.5
121.02948	3.0
123.08147	0.4
125.02431	0.2
125.09714	1.8
131.03464	0.4
133.01433	0.2
135.04506	0.2
137.09688	0.3
139.07668	0.2
139.11211	0.4
141.09181	0.2
143.10797	0.2
151.11246	0.2
153.09161	0.4
153.12845	0.3
155.10770	0.5
161.04556	0.2
167.10704	0.2
169.12338	0.2
171.10268	5.1
174.01775	0.4
175.02455	0.8
181.05020	0.2
181.12326	0.4
185.11775	0.2
191.05540	0.3
197.11722	0.2
199.13419	0.3
200.10558	0.5
215.12772	0.2
227.12851	0.3
232.03651	0.2
243.12273	0.5
281.17520	0.3
284.03299	0.2
285.04001	0.2
289.03598	0.3
311.22232	0.4
323.22360	0.3
325.23712	0.2
335.22327	0.3
341.23203	2.0
353.23291	5.3
369.22922	0.2
371.24350	13.5
372.24759	0.9
373.09109	0.3
405.11938	0.4
426.27399	0.2
447.22595	0.2
471.30972	0.3
489.10336	0.3
491.28699	0.2
497.27521	0.3
515.28705	1.4
533.29639	100.0
534.30017	6.2
535.93878	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01519	0.2
55.01882	0.3
55.34346	0.2
57.27983	0.2
59.01377	2.8
61.98838	0.4
67.50665	0.3
69.03455	2.5
69.28535	0.3
71.01379	4.7
71.54811	0.3
72.99297	0.4
73.02951	1.7
83.01395	0.6
85.02950	2.6
85.06588	27.8
89.02447	1.9
96.96001	1.7
99.00892	0.9
101.02442	3.7
110.57889	0.2
113.02455	1.8
113.06094	0.9
119.03479	0.4
125.60179	0.2
128.82928	0.4
128.83850	0.3
129.05592	0.4
130.06883	0.2
131.07138	100.0
132.06641	0.3
132.07462	1.3
134.01814	0.2
159.03033	0.3
161.04555	2.3
171.10281	0.5
201.11206	0.4
205.88998	0.3
213.37740	0.3
223.04579	0.3
253.09288	0.3
269.10275	3.0
369.93332	0.3
401.14505	20.2
402.14575	0.6
533.18896	1.1
533.26251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77406	1.0
55.01875	2.7
57.03449	2.6
59.01379	73.4
61.98825	2.8
69.03443	2.4
69.37656	6.3
69.38067	1.6
71.01382	34.5
71.05012	2.7
72.99313	3.9
73.02950	15.3
75.00858	1.3
83.01390	4.5
85.02946	14.2
87.00871	3.2
89.02452	8.7
95.01393	3.3
96.33820	0.9
96.96007	3.9
97.02940	3.7
99.00883	9.8
101.02454	19.4
111.00891	1.7
113.02448	12.7
119.03505	2.8
123.51580	1.2
125.02438	1.8
129.01884	1.0
131.03484	1.3
133.01515	1.3
135.88956	0.9
138.53217	0.9
140.83743	1.0
143.03505	2.1
159.02953	2.5
161.04546	9.0
165.12965	0.9
171.10339	1.3
181.33693	0.9
203.46790	1.0
213.12982	1.0
243.12457	2.1
311.22296	1.6
315.18097	7.2
329.23441	1.8
335.22195	6.4
357.19012	1.2
371.24518	4.3
395.29929	1.0
409.31259	1.5
423.29068	3.9
429.21466	2.7
447.22403	21.7
448.22818	1.5
453.29932	1.6
471.31335	1.7
473.27057	1.5
489.23401	56.2
490.23785	3.6
491.28580	4.1
533.30847	100.0
534.31268	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	533.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
56.17172	0.9
57.03432	1.8
58.00587	4.3
59.01378	95.5
71.01379	66.0
71.54493	1.4
72.99300	5.0
73.02941	3.4
75.00823	1.0
80.96526	5.2
83.01376	1.7
85.02943	12.3
86.20878	0.9
87.00876	5.6
89.02443	100.0
89.09286	1.2
95.01381	4.1
96.96017	10.6
97.02927	2.0
101.02444	30.8
104.78516	1.0
109.06560	1.6
113.02441	27.1
115.00342	1.0
119.02654	2.0
119.03501	35.7
121.67932	1.0
125.02421	1.6
131.03485	3.9
133.01431	1.0
143.03514	7.0
148.99112	1.1
149.04529	3.6
155.47217	1.0
161.04558	9.8
163.11238	1.3
167.50156	0.9
171.10262	23.2
179.05603	23.7
191.01927	1.3
199.09732	1.4
201.11317	16.1
207.10237	9.9
215.79912	1.0
225.00708	1.3
225.11328	16.3
235.08200	1.2
243.12379	2.3
253.09236	16.1
267.09982	1.3
295.10229	2.7
311.11685	1.0
327.08649	1.3
335.17133	5.0
407.19263	4.9
435.18613	4.3
437.20151	2.6
443.19205	1.7
443.97275	1.0
461.20276	15.4
479.21344	10.9
501.16306	2.9
515.18860	13.6
533.19318	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	533.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.3
67.17393	0.7
69.03467	1.1
69.38155	6.0
71.01383	11.1
73.02943	2.0
75.00897	0.7
83.01418	0.7
85.02949	4.7
89.02448	17.1
96.96007	4.1
97.02985	1.1
99.00881	2.1
101.02448	2.8
113.02451	1.6
119.03459	1.4
125.02457	8.4
129.01904	1.0
131.03514	2.1
136.05339	4.3
143.03481	1.0
147.02962	1.2
149.04543	4.7
161.04504	1.2
164.04787	100.0
165.05156	1.8
171.10266	5.6
179.07129	94.0
180.07460	1.7
191.01939	0.9
191.05597	2.8
201.11356	2.7
205.87267	0.7
207.10356	1.1
225.11322	3.3
233.06645	6.6
253.09322	3.5
280.41776	0.9
293.08755	29.8
294.09027	1.2
298.04855	0.9
299.05609	3.7
307.18665	0.8
371.11679	1.1
407.19403	0.9
435.18817	0.9
461.10696	1.6
461.20459	3.1
479.21280	1.4
515.19006	2.1
533.09491	1.9
533.18237	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	18.5
57.96245	1.3
59.01381	7.8
67.01888	6.5
71.01380	17.2
72.24132	1.4
73.02953	10.2
76.96514	1.4
83.01394	1.4
84.37963	1.4
85.02944	18.7
87.00870	5.6
89.02453	4.4
90.93593	1.6
92.96014	2.8
94.20198	1.8
99.00874	5.6
101.02428	3.6
108.93738	18.8
111.00912	1.3
113.02508	2.3
114.93573	14.4
117.01941	10.7
119.03514	2.3
127.03953	2.7
129.01939	94.3
132.94647	3.3
136.93263	2.9
146.96230	8.5
147.02977	4.5
148.94966	4.2
162.94835	10.1
164.96376	3.4
181.09085	1.4
182.87381	1.5
190.94289	41.0
190.95996	4.0
191.01982	50.0
191.05598	100.0
192.95830	10.4
214.92752	1.9
214.98584	1.7
234.96854	4.8
250.90434	2.5
341.10950	9.6
415.03342	4.0
415.14438	4.2
497.07544	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	533.1664
Annotation	LMPK12111723
Peak:m/z	Relative Intensity
59.01377	14.8
61.98829	3.7
66.79974	1.0
69.03452	4.9
70.68806	3.2
71.01386	8.8
72.44319	1.2
73.02938	1.9
83.01396	1.1
85.02953	4.9
89.02443	5.6
96.96018	14.6
99.00883	3.8
100.10267	1.1
101.02463	5.8
113.02436	3.1
116.92934	1.6
117.03527	1.9
119.03561	1.5
119.05013	1.3
121.02954	8.1
134.03690	1.2
135.04578	2.0
145.02937	4.2
147.04523	6.5
148.05312	6.5
159.04543	1.2
160.05240	1.7
161.02490	1.8
161.06010	1.6
162.03270	1.6
171.38744	1.2
173.02316	1.6
176.04794	2.7
179.03502	1.4
180.04282	1.9
184.68211	1.2
185.00917	5.0
191.03519	8.2
191.05617	1.6
191.07149	12.0
192.04300	3.1
194.05869	1.7
195.08089	1.8
206.05765	1.4
207.06450	1.4
207.08220	1.6
209.06044	2.2
209.11804	2.6
211.07632	1.1
220.03767	2.7
221.06139	1.4
223.07671	3.7
224.03120	2.0
234.07057	1.5
235.06068	4.6
235.07988	2.1
237.05502	3.0
238.04834	4.8
239.07031	5.9
249.05548	4.4
250.06253	2.6
251.07080	12.8
252.07727	2.8
253.08653	2.4
262.06277	1.9
263.07132	7.1
264.07806	3.5
265.05069	3.1
265.08618	2.3
266.05789	12.2
266.08575	2.0
267.06580	32.2
267.09491	2.0
268.07220	1.9
277.04959	3.6
278.05786	2.7
279.06586	24.1
280.07162	1.8
281.08240	9.0
282.08945	19.3
293.04773	2.3
293.08234	2.9
294.05322	23.6
294.08945	10.3
295.06177	6.6
297.11359	5.3
307.06024	3.6
308.06912	1.3
309.07675	28.9
309.11240	2.0
310.08469	4.7
311.05637	2.3
321.07587	3.8
322.08368	6.8
323.05591	16.9
323.09024	1.7
325.07193	4.7
326.07950	11.9
327.08707	2.1
327.12329	4.9
337.07285	2.8
338.07959	38.5
340.09357	3.4
341.10278	77.6
342.10657	4.1
353.10278	98.4
354.10593	5.0
371.11331	100.0
372.11633	4.6
443.22455	1.3
463.22031	1.4
473.27359	1.2
503.15347	3.1
533.16595	31.3
533.29865	6.9
534.17206	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92001	3.5
52.73811	3.3
59.01145	3.0
59.01379	30.4
61.98859	15.1
78.95875	7.7
79.79028	2.7
80.65343	3.0
96.96006	4.3
106.59249	3.0
130.64691	3.4
138.74474	3.3
173.29514	3.0
184.98631	3.4
217.00272	10.7
227.63116	3.6
254.18825	3.6
291.19583	4.8
389.16370	17.6
453.33765	9.6
471.34839	67.7
472.35110	4.3
473.35104	7.9
531.30463	100.0
532.30579	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	531.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29286	3.3
59.01371	24.2
59.38497	3.5
61.98825	14.1
63.00656	3.3
82.96880	3.3
86.49963	3.5
98.20764	7.5
115.90725	3.6
162.15239	3.2
180.53578	3.5
206.84671	3.3
225.93925	3.4
316.59708	3.8
471.34814	97.7
472.34872	7.2
473.35583	8.6
531.30408	100.0
532.30609	4.4
553.91638	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	533.0937
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
50.68942	0.3
59.01380	2.6
61.98820	0.5
63.02402	1.4
65.00332	1.1
66.11366	0.3
69.03455	0.8
69.30029	2.9
69.61671	0.4
72.99329	0.4
73.02927	0.4
82.29438	0.3
83.01401	1.3
89.02441	0.6
94.49189	0.3
96.96011	0.9
99.00882	1.2
101.02456	0.6
107.01397	2.2
109.02975	0.7
133.02939	4.1
134.03729	1.2
141.53238	0.3
148.01620	0.6
149.02448	1.2
149.99574	0.4
151.00343	4.9
158.77217	0.4
163.04041	0.4
175.04018	1.3
176.49586	0.3
185.00932	0.6
187.03992	0.6
195.04556	0.4
199.04018	1.3
200.04848	0.6
211.04008	1.1
213.05664	0.5
217.05093	0.7
227.03526	1.3
239.03517	0.5
241.05078	0.4
243.02841	0.5
255.03032	1.4
256.03769	3.0
257.04358	0.4
267.02777	0.5
269.04480	0.4
283.02402	0.7
284.03256	61.2
285.04031	98.0
286.04364	3.2
297.03937	0.5
327.05099	1.1
327.12592	0.8
429.08469	0.5
447.09375	1.3
489.10370	100.0
490.10626	6.3
533.29803	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98593	0.5
59.01377	100.0
60.01714	0.6
61.98817	1.0
64.06780	0.5
69.56531	0.5
69.86235	1.0
69.86630	1.3
76.15088	0.5
87.30925	0.5
88.78297	0.5
134.31113	0.5
270.03577	0.6
542.84369	0.5
549.43811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81635	4.0
57.13649	4.3
59.01380	28.4
61.98819	31.7
69.80688	22.3
90.83055	4.2
118.25156	4.8
223.31595	4.5
255.23325	7.4
256.23676	11.8
304.91434	4.9
348.26886	4.6
402.75964	4.8
435.32660	4.4
453.34390	6.4
469.85526	4.2
471.34882	97.8
472.35345	5.7
481.31223	9.3
531.30518	100.0
532.30829	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	531.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
58.00599	0.2
59.01377	5.6
60.50939	0.1
61.98842	0.4
67.76515	0.1
69.03475	0.1
71.01380	3.9
72.99312	0.3
73.02962	0.8
83.01395	0.4
85.02963	1.0
87.00890	0.5
89.02443	4.1
92.06700	0.1
95.01395	0.3
95.74405	0.1
96.96002	0.2
99.00905	0.3
101.02442	4.5
113.02441	2.0
113.09721	1.4
115.84827	0.1
118.71054	0.1
119.03484	1.1
121.03675	0.1
125.02454	0.2
131.03514	0.2
143.03502	0.6
149.04543	0.1
161.04552	2.1
171.10332	0.2
177.12851	0.5
179.05614	0.8
179.14397	0.9
181.12346	0.5
195.13899	14.1
196.14363	0.2
233.22838	0.2
235.08316	0.2
251.23801	0.4
253.09282	24.9
254.09654	0.4
259.20673	0.2
277.21707	13.8
278.21936	0.3
293.21292	0.2
295.22763	100.0
296.23111	3.6
296.99100	0.1
434.03918	0.1
448.21472	0.1
531.31427	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47540	0.2
57.03435	0.5
59.01381	8.2
61.98830	2.1
69.54921	1.7
71.01385	5.2
72.99297	0.3
73.02948	1.0
74.73811	0.2
83.01389	0.6
83.05076	0.2
85.02952	1.1
87.00887	1.0
89.02447	4.4
90.13078	0.2
95.01382	0.3
98.19823	0.3
99.00920	0.3
101.02445	5.0
113.02457	2.5
113.09731	1.1
119.03500	1.0
143.03482	0.5
161.04546	2.4
179.05611	0.8
179.14421	0.8
181.12434	0.3
182.40488	0.3
195.13899	15.2
196.14207	0.3
206.00711	0.3
233.22701	0.4
253.09285	24.8
254.09703	0.6
277.21729	12.7
278.22061	0.3
291.97864	0.2
295.22784	100.0
296.23132	3.5
321.58524	0.3
489.34399	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2802
Annotation	Multifidoside C
Peak:m/z	Relative Intensity
52.81488	0.2
53.60967	0.2
55.01877	1.2
56.99794	0.3
57.03444	0.9
58.00585	3.0
58.56892	0.2
59.01376	71.9
60.01708	0.5
61.98828	2.8
67.01888	0.3
69.03455	1.5
71.01378	59.8
71.04987	0.3
71.56152	0.3
72.01727	0.7
72.99304	3.3
73.02943	18.3
75.00875	0.7
79.95715	0.2
81.03458	0.6
83.01385	2.3
83.04985	0.2
85.02948	8.2
85.06584	0.2
87.00867	2.3
89.02440	100.0
90.02779	0.9
95.01377	1.6
96.96002	2.4
97.02946	2.4
99.00877	32.8
99.04524	0.6
101.02437	43.1
102.02747	0.4
111.00883	0.3
113.02446	12.8
115.03980	1.7
119.03494	12.9
123.04444	0.3
125.02444	5.8
127.04004	0.3
131.03497	16.3
133.01418	0.4
143.03503	3.7
149.04547	52.8
150.04901	0.7
161.04543	5.1
178.85745	0.2
179.05602	7.0
179.07181	0.4
185.00995	0.3
191.05603	14.7
192.05963	0.4
221.06619	2.3
232.17924	0.2
233.06645	2.1
251.07684	3.9
275.07813	0.2
293.08710	0.9
311.09866	0.5
383.07538	0.3
399.23914	3.1
415.10193	0.6
471.25687	0.5
530.60327	0.2
531.28064	59.7
532.28448	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	531.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
58.00583	0.9
59.01382	100.0
61.98840	3.3
69.03458	1.9
69.19491	7.4
71.01384	20.3
72.99298	1.6
73.02949	14.0
83.01379	4.3
84.34231	0.7
85.02956	4.4
85.89695	0.7
87.00903	2.0
89.02445	9.2
95.01405	1.4
96.95488	0.9
96.95999	4.3
97.02956	1.3
97.06583	1.1
99.00896	3.5
101.02444	16.0
113.02453	6.4
115.00379	0.7
116.29212	0.7
116.92882	0.8
119.03542	3.2
121.02978	1.0
125.02519	0.8
130.43651	0.7
131.03485	1.9
133.01349	0.7
137.02402	1.0
143.03491	1.1
149.04570	1.0
161.04565	1.7
185.00922	2.1
191.05669	1.6
209.69528	0.8
231.24525	0.7
265.18121	1.5
289.18228	1.1
297.03857	0.7
325.23871	0.9
351.22110	0.9
369.22711	3.3
378.86945	0.8
385.11414	1.5
385.22433	1.5
399.23779	1.3
427.23474	1.0
445.24631	2.3
469.24390	6.6
471.25983	1.1
487.25461	87.4
488.25659	5.3
489.27063	1.0
531.28107	22.6
532.28363	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
58.00583	0.9
59.01382	100.0
61.98840	3.3
69.03458	1.9
69.19491	7.4
71.01384	20.3
72.99298	1.6
73.02949	14.0
83.01379	4.3
84.34231	0.7
85.02956	4.4
85.89695	0.7
87.00903	2.0
89.02445	9.2
95.01405	1.4
96.95488	0.9
96.95999	4.3
97.02956	1.3
97.06583	1.1
99.00896	3.5
101.02444	16.0
113.02453	6.4
115.00379	0.7
116.29212	0.7
116.92882	0.8
119.03542	3.2
121.02978	1.0
125.02519	0.8
130.43651	0.7
131.03485	1.9
133.01349	0.7
137.02402	1.0
143.03491	1.1
149.04570	1.0
161.04565	1.7
185.00922	2.1
191.05669	1.6
209.69528	0.8
231.24525	0.7
265.18121	1.5
289.18228	1.1
297.03857	0.7
325.23871	0.9
351.22110	0.9
369.22711	3.3
378.86945	0.8
385.11414	1.5
385.22433	1.5
399.23779	1.3
427.23474	1.0
445.24631	2.3
469.24390	6.6
471.25983	1.1
487.25461	87.4
488.25659	5.3
489.27063	1.0
531.28107	22.6
532.28363	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47079	3.9
55.82603	4.1
57.03429	5.4
59.01118	6.0
59.01379	100.0
61.98833	33.9
68.99571	8.0
69.03439	29.9
71.01379	60.7
71.10188	8.1
73.02940	14.9
74.28718	3.9
79.95737	4.8
80.96495	12.2
82.95404	4.4
85.02953	22.9
87.00883	9.2
87.60754	4.5
89.02430	29.6
93.03439	10.5
96.96001	98.4
97.02943	13.8
98.95589	4.2
99.00889	9.4
99.04494	17.1
101.02430	27.4
103.00409	4.0
112.98575	8.2
113.02424	18.7
115.00353	5.2
119.03500	10.3
119.05022	7.1
120.99634	17.0
122.02441	4.4
129.10303	11.2
130.08704	5.4
130.85277	4.5
133.01393	4.7
134.06119	6.0
135.04575	6.3
137.02409	18.0
141.01888	9.6
143.03474	4.9
155.08205	6.4
161.04515	8.7
162.76733	4.4
163.04030	5.7
169.38219	4.5
179.05664	9.5
180.06635	9.7
185.00911	26.2
191.97778	4.6
201.06970	5.5
209.11787	38.5
225.11334	34.0
226.06326	7.6
227.12851	19.1
241.08696	10.0
253.09233	9.1
267.09662	8.8
274.09421	4.2
338.08194	4.9
369.22729	7.0
445.20749	6.6
463.21704	30.5
470.03668	5.1
531.21228	38.4
531.29211	43.8
532.22321	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	531.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41668	1.2
59.01373	5.9
61.98819	3.2
62.95240	1.3
71.01380	8.8
73.02939	1.7
75.00883	3.3
76.08489	1.4
79.64543	1.4
82.95382	1.2
83.01376	10.7
85.02952	3.1
87.00871	15.1
89.02401	1.2
93.03443	1.5
96.95995	11.9
99.00839	3.8
100.01636	1.6
101.02423	2.2
107.04943	1.4
108.02135	1.8
109.02943	15.3
111.00878	23.5
113.02428	5.3
113.99569	4.1
115.00367	32.2
121.02931	2.3
122.03712	4.7
123.04518	3.0
125.02444	4.5
126.53291	1.2
128.01134	1.8
129.05510	2.2
133.02917	2.8
135.04477	6.7
137.02437	6.1
139.00380	24.0
139.03995	2.7
146.03738	1.8
147.04549	2.5
149.02464	6.9
149.06082	3.0
150.03203	2.1
154.53516	1.5
156.00641	18.7
157.01421	24.5
159.04546	1.7
161.02419	5.6
163.03957	5.2
165.01871	2.0
173.02425	1.9
174.01712	21.9
174.03145	2.8
175.02502	28.8
175.03940	4.4
177.01891	9.1
186.33232	1.5
187.03932	3.6
189.01909	2.2
190.02710	3.4
191.03427	10.6
193.03340	2.5
193.05048	34.8
201.01892	4.0
203.03445	4.4
205.01398	4.5
205.05014	3.6
206.02237	8.8
206.05792	1.7
207.06595	17.1
215.03418	2.7
216.04250	1.8
218.02232	2.5
219.02965	2.0
219.06586	2.5
223.06168	4.0
231.06525	3.3
231.08582	1.7
233.04524	17.2
234.05342	17.5
245.08153	1.9
247.02501	1.6
247.06033	2.8
251.05595	9.8
257.04474	1.9
275.05566	4.5
278.03958	1.3
279.05029	5.7
279.08664	4.5
289.07193	13.3
307.08206	100.0
309.06021	6.1
314.86206	1.3
333.06268	1.9
351.07303	2.2
355.10345	2.5
411.17841	1.6
413.10687	4.2
441.10147	2.5
451.12350	2.5
469.13501	7.8
471.11319	16.1
481.10031	2.5
495.11337	4.8
513.12469	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	529.3532
Annotation	Rubianol b
Peak:m/z	Relative Intensity
59.01376	16.7
61.98853	0.3
71.05018	1.7
71.55716	0.6
85.04830	0.3
89.77982	0.4
94.98057	0.4
124.52880	0.3
247.45895	0.4
293.21210	1.0
308.77917	0.3
335.39102	0.4
451.32355	0.6
467.32373	0.5
469.33038	1.6
511.34277	10.7
512.34363	0.8
529.35291	100.0
530.35681	8.5
557.69037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81559	0.3
59.01385	0.7
61.98822	1.4
69.95177	1.1
69.95591	0.7
71.01374	0.4
71.35670	0.3
78.95903	17.9
82.25830	0.3
85.38346	0.3
98.19967	0.4
113.02383	0.4
150.49464	0.3
151.12010	0.3
152.99590	3.2
168.04309	2.5
224.06915	8.3
242.07979	1.5
255.23276	100.0
256.23621	3.8
279.23206	0.7
280.23529	0.8
418.36560	0.4
480.30927	72.8
481.31186	3.0
530.30591	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	529.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.3
57.03454	0.5
58.00580	0.4
59.01379	7.9
65.01726	0.1
65.02089	0.1
69.03452	0.3
70.42361	0.2
71.01382	5.6
71.05029	0.1
72.96393	0.1
72.99303	0.3
73.02946	1.0
77.33347	0.1
80.02682	0.1
81.03469	0.1
83.01376	0.7
85.02948	1.4
87.00877	0.7
89.02447	6.1
91.04018	0.3
95.01392	0.5
95.05043	0.2
97.02953	0.2
97.06596	0.2
99.00889	0.3
99.04514	0.1
101.02447	6.2
102.03265	0.1
109.06625	0.2
111.08149	0.5
113.02453	3.0
113.09723	0.4
114.02828	0.1
115.03931	0.1
116.45076	0.1
119.03512	1.4
125.02467	0.2
131.03493	0.3
133.05183	0.1
135.11763	0.1
141.09187	0.1
143.03488	0.6
145.05142	0.1
149.04546	0.2
152.01572	0.1
157.08701	0.1
161.04565	2.9
167.10770	0.3
169.12331	0.2
177.12802	0.4
179.05598	1.3
179.10753	0.2
179.14388	0.8
181.12428	0.2
195.13901	9.4
196.14577	0.8
197.11707	0.1
205.12328	0.8
205.15984	0.5
211.13452	0.5
223.13394	5.8
224.13921	0.3
228.13644	0.7
231.21202	0.5
235.08276	0.4
239.12885	0.1
249.22246	0.2
253.09291	31.6
254.09625	0.7
256.13153	1.3
265.21786	0.4
275.20154	6.4
276.20477	0.3
293.21228	100.0
294.21576	4.3
294.24042	0.1
492.21988	0.7
529.30029	0.1
530.90637	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	529.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57542	0.1
55.01871	0.2
57.03443	0.4
58.00599	0.3
59.01378	7.4
69.03450	0.3
71.01382	5.4
71.44040	0.1
72.99308	0.3
73.02943	0.9
83.01392	0.6
83.05056	0.1
85.02958	1.1
87.00871	0.7
89.02444	5.5
90.39942	0.1
95.01376	0.5
95.05007	0.2
97.02985	0.1
97.06600	0.1
98.20670	0.2
99.00887	0.3
101.02442	5.9
102.02735	0.1
104.73443	0.1
109.53223	0.1
111.08141	0.4
113.02448	2.7
113.09724	0.4
115.04053	0.1
118.22778	0.1
119.03502	1.2
125.02427	0.2
131.03503	0.2
141.09218	0.1
143.03497	0.6
147.53156	0.1
161.04561	2.7
167.10757	0.4
169.12328	0.1
177.12822	0.2
177.16571	0.1
179.05592	1.1
179.10800	0.2
179.14424	0.7
179.96652	0.1
181.12344	0.3
195.13901	9.2
195.67604	0.1
196.14587	0.9
197.15280	0.1
199.35449	0.1
205.12340	0.7
205.15956	0.4
208.30927	0.1
211.13428	0.3
223.13385	6.0
224.13998	0.3
228.13680	0.6
231.21153	0.4
235.08096	0.2
249.22318	0.1
253.09280	29.0
254.09543	0.6
256.13147	1.2
263.83487	0.1
265.21771	0.3
275.20163	5.4
276.20410	0.2
293.21219	100.0
294.21548	4.6
352.44299	0.1
492.21982	0.8
529.30359	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	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.2
57.03460	0.3
58.00603	0.4
59.01376	7.5
60.76390	0.1
63.13865	0.1
69.03460	0.2
69.88790	0.5
71.01377	5.2
71.04997	0.1
72.99313	0.1
73.02949	0.7
75.00874	0.1
75.70000	0.1
75.70496	0.1
83.01380	0.5
83.05022	0.2
83.66920	0.1
85.02949	1.0
87.00864	0.7
89.02441	5.4
91.04012	0.2
95.01381	0.4
95.05012	0.3
97.02956	0.2
97.06576	0.1
98.19983	0.2
98.88471	0.1
99.00854	0.2
101.02439	6.3
103.52520	0.1
111.08154	0.4
113.02449	2.9
113.09738	0.4
119.03490	1.5
125.02403	0.2
128.10391	0.1
131.03535	0.3
141.09225	0.1
143.03502	0.5
144.90251	0.1
149.04546	0.2
157.08716	0.1
161.04547	3.2
162.60341	0.1
167.10780	0.2
177.12836	0.2
177.16431	0.1
179.05602	1.4
179.10750	0.1
179.14384	0.9
181.12309	0.2
195.13889	9.5
196.14604	0.9
197.15472	0.1
205.12311	0.7
205.15944	0.4
211.13385	0.4
223.13383	5.7
224.13963	0.3
225.14859	0.1
228.13580	0.5
231.21140	0.4
235.08318	0.3
239.12964	0.2
249.22154	0.3
253.09271	30.9
254.09586	0.7
256.13156	1.1
265.21738	0.5
268.29678	0.1
275.20148	6.0
276.20520	0.3
293.21207	100.0
294.21530	4.3
441.69336	0.1
492.22137	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98830	18.7
69.03447	4.1
70.69017	3.5
71.01379	28.1
73.02944	17.5
78.91856	1.5
78.93293	1.2
79.49495	1.2
80.91241	2.3
80.91680	28.7
83.01387	4.6
85.02951	6.6
87.00851	1.6
89.02437	8.4
89.35650	1.3
95.01369	2.3
96.95992	15.6
97.02912	1.7
99.00854	3.4
101.02432	21.1
110.04876	1.5
111.04558	1.4
113.02454	8.3
117.00436	1.5
119.03481	4.2
119.04926	1.5
121.02948	3.9
121.66566	1.4
131.03537	1.3
143.03574	1.6
149.04492	2.2
161.04541	5.7
169.65108	1.5
178.02722	1.4
185.00888	2.7
263.16483	6.0
284.02728	1.5
315.18137	2.6
317.43793	1.4
323.03940	2.8
367.21292	2.5
425.21683	2.0
443.22751	4.3
447.22305	27.3
467.22873	3.2
485.23883	68.5
486.24234	4.4
529.20471	4.3
529.27429	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	529.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.5
59.65778	0.3
60.84068	0.2
60.99673	0.2
61.98828	3.5
69.03443	0.6
71.01383	1.8
71.54893	0.3
71.91637	0.3
72.99299	0.3
73.02941	1.0
78.95891	0.4
79.20267	0.2
79.95744	2.5
80.91664	0.4
83.01385	0.3
85.02955	0.6
89.02447	0.6
96.96010	100.0
97.02930	0.3
98.95565	0.3
99.00873	0.5
101.02415	0.7
113.02467	0.5
114.93420	0.5
115.00365	0.3
130.92963	0.2
133.01411	0.3
135.04498	0.4
137.02461	0.6
151.07640	0.8
185.00922	0.3
223.09668	0.3
263.06229	0.3
263.16473	0.4
279.09103	0.5
283.08667	1.4
345.22794	0.6
367.21271	0.3
387.23849	0.5
425.18533	0.8
467.33823	0.5
485.23666	1.1
485.35028	0.4
491.28729	0.5
529.27515	4.8
530.28339	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	100.0
60.92069	66.4
61.98835	72.6
71.54994	56.1
75.44225	61.4
106.56002	60.0
249.61307	66.8
275.52679	60.3
531.59485	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
56.67647	0.4
59.01378	4.0
61.98821	1.8
63.02395	0.8
65.00318	5.6
69.03454	1.8
71.01384	2.9
73.02945	0.6
74.08409	0.4
78.98608	0.7
79.95724	1.1
80.96510	5.9
82.96095	0.4
83.01366	3.0
85.02950	1.2
87.00893	0.5
89.02402	1.0
91.45759	0.4
94.98093	1.1
96.96007	8.0
97.02935	1.1
98.20643	1.3
101.02444	0.8
107.01384	12.2
108.02166	0.4
109.02943	1.1
113.02448	0.7
122.97612	0.6
125.02443	3.8
134.03792	0.9
135.04520	51.6
136.04851	0.9
137.02452	0.5
141.01886	0.5
145.05035	0.5
151.00362	100.0
152.00688	1.5
152.98599	0.6
157.08662	1.2
161.02380	0.8
161.04379	0.5
164.98555	1.3
169.01378	0.6
177.01939	0.9
185.00897	1.4
191.05626	0.5
225.00745	1.6
241.00194	2.4
269.04526	0.8
287.05585	44.8
288.05920	1.7
326.00113	0.5
367.01154	1.9
417.31967	0.4
449.10870	28.7
450.11249	1.3
485.17224	2.2
529.06567	55.7
529.18671	10.9
530.06934	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	527.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.3
59.01381	10.7
61.98830	0.8
67.01879	1.2
67.38979	0.7
68.99811	1.2
69.03439	0.7
71.01379	11.2
71.55146	0.9
71.55522	0.7
72.99295	4.7
73.02962	1.4
75.00458	1.2
75.00871	15.2
79.04374	0.7
81.03455	0.7
81.28078	0.6
83.01363	1.0
83.05040	0.8
85.02948	16.3
87.00877	6.1
89.02443	2.6
93.71459	0.6
95.01366	3.4
95.31026	0.7
98.19920	0.6
99.00874	8.2
103.00368	2.2
111.00891	0.7
113.02445	21.3
115.00389	1.3
117.01941	2.6
129.01917	1.5
154.34543	0.6
175.02461	2.9
175.56883	0.6
205.07130	1.4
223.20682	1.3
231.05067	1.9
249.06142	18.4
265.75552	0.6
267.07141	2.5
267.19656	1.2
277.21707	60.3
278.22037	2.6
291.19785	0.9
397.43588	0.9
467.27014	0.8
509.27518	3.8
512.13489	0.7
527.28601	100.0
528.28766	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	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.03445	1.1
57.46470	0.1
59.01379	5.2
61.98812	0.2
69.03442	0.3
69.24957	1.1
70.73334	0.1
71.01378	2.8
72.99284	0.1
73.02948	0.5
81.03461	0.2
83.01383	0.4
83.05036	0.5
85.02953	0.7
87.00874	0.5
89.02439	2.5
93.03523	0.2
95.01373	0.3
95.05034	0.6
97.02979	0.2
97.06574	0.3
98.20650	0.3
99.00837	0.1
101.02441	3.3
106.04237	0.2
109.06610	0.4
111.08159	7.8
113.02436	1.5
113.06129	0.1
113.09737	0.3
119.03495	0.8
121.06583	0.1
121.10206	0.1
123.08194	0.3
125.09721	0.4
135.11775	0.4
137.09711	0.7
141.09238	0.2
143.03563	0.2
149.09679	0.4
161.04558	1.1
163.11261	0.2
165.12775	0.1
167.01019	0.2
167.10768	1.7
171.10251	0.5
177.12831	1.7
179.05598	0.3
179.10773	1.5
185.11935	0.2
193.12312	0.2
193.16063	0.2
195.13889	5.2
203.14331	0.3
219.17563	0.2
231.17332	0.2
235.08177	0.5
247.20670	2.2
253.09274	14.8
254.09535	0.3
263.20203	0.3
273.18579	1.4
291.19644	100.0
292.16782	0.2
292.19989	4.3
339.12106	0.2
527.20325	0.2
527.28601	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	527.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89418	1.3
57.03442	2.8
59.01375	16.0
61.98815	1.4
71.01376	23.3
71.55762	2.2
72.99310	5.7
73.02932	1.5
75.00874	15.3
78.98580	2.6
79.95733	3.4
80.96513	23.5
85.02950	25.0
87.00870	9.6
87.70292	1.3
89.02455	5.4
94.98077	5.7
95.01385	4.1
96.96038	1.6
99.00871	10.5
101.02460	3.2
103.00372	2.0
106.98119	3.0
113.02443	29.7
114.02852	1.2
115.00375	2.2
117.01947	3.3
134.97595	2.5
148.99081	3.2
152.98567	1.3
156.31119	1.3
164.98642	5.6
175.02466	3.2
197.36714	1.3
205.07143	2.5
216.65515	1.2
225.00761	6.7
227.20187	2.4
249.03622	1.3
249.06065	6.9
263.62357	1.3
267.07147	7.1
267.19852	1.9
277.21698	58.8
291.19733	1.8
322.76480	1.3
509.27438	1.8
527.29065	100.0
528.29395	7.6
537.91309	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	527.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26327	0.6
55.01867	2.0
57.03448	2.4
58.00604	0.7
59.01380	36.3
61.98835	5.3
68.00551	0.6
69.03455	1.7
69.44964	0.6
71.01382	37.1
72.99311	2.2
73.02951	10.6
79.95741	1.2
80.96520	5.4
81.03447	1.2
81.92542	0.6
83.01391	4.1
85.02946	11.9
87.00874	1.8
89.02442	24.7
94.98074	1.4
95.01372	1.5
96.96008	4.1
97.02948	3.2
98.20650	2.1
99.00871	3.7
99.04485	0.8
100.17510	0.6
101.02444	26.0
111.00875	6.0
113.02447	10.1
115.04006	2.3
119.03487	1.6
120.99666	1.9
125.02448	3.5
131.03506	10.1
135.37939	0.7
143.03519	1.6
143.07144	0.9
149.04558	7.7
159.03006	1.8
161.04530	4.6
164.98628	0.8
173.15585	1.2
191.05595	2.6
211.13458	0.6
225.00673	1.8
229.34633	0.7
233.06624	3.4
241.00249	1.5
285.04141	1.2
293.08820	2.9
335.20728	14.9
335.24509	1.3
374.03949	0.7
467.24957	100.0
468.25204	5.3
511.00089	0.7
527.05359	1.6
527.17963	13.9
527.25421	1.0
528.18634	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53849	0.8
55.01868	1.7
57.03446	3.5
58.21837	0.8
59.01380	38.4
61.45470	0.7
61.98833	4.1
65.47224	0.8
69.03464	3.1
71.01383	41.3
71.54897	0.9
72.99309	2.2
73.02947	9.4
78.95900	9.6
80.96503	2.0
83.01373	4.8
85.02955	11.0
87.00874	3.7
89.02444	27.0
95.01376	1.3
96.96014	4.6
96.96972	1.6
97.02425	0.7
97.02950	4.3
97.06579	1.4
99.00888	3.1
101.02446	21.8
111.00887	4.5
113.02448	10.2
115.00374	1.1
119.03493	2.0
120.99667	2.9
123.00903	0.9
125.02466	4.6
131.03505	11.9
133.01498	1.0
143.03502	3.5
144.26196	0.9
149.04561	9.4
152.99597	3.6
155.10739	5.2
159.03044	1.3
159.06619	3.2
161.04550	4.2
185.00926	1.0
191.05634	3.1
199.09760	6.0
204.68852	0.8
211.13373	7.8
222.39037	0.8
233.06688	3.4
241.01070	1.9
255.02908	0.9
255.05357	1.0
275.08084	0.9
283.02438	1.1
284.03528	0.9
293.08746	4.0
329.23398	0.8
330.23575	2.7
335.20755	10.2
360.07446	1.4
365.19659	1.8
467.24945	100.0
468.25214	5.1
527.18469	12.9
527.28003	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41257	0.2
55.12464	0.2
55.16578	0.3
59.01377	0.9
61.25132	0.3
63.96233	0.8
69.03467	0.7
70.29529	0.6
70.29913	0.7
70.40657	0.3
71.01379	4.6
73.02945	1.5
78.95913	0.6
78.98591	5.0
79.01933	0.3
79.59937	0.3
79.95734	6.9
80.96514	52.2
81.03462	0.6
85.02958	2.5
87.00873	2.3
94.98084	12.2
96.96020	0.8
96.96713	0.2
97.02943	0.8
99.00867	0.6
101.02436	1.9
106.98090	2.3
122.97595	2.2
125.02460	2.5
127.03988	0.5
134.97597	4.5
136.99104	1.5
139.99295	0.3
148.99133	5.1
152.98627	4.8
164.98618	10.1
165.12886	0.8
167.00130	0.6
178.44241	0.3
183.13892	5.2
206.99683	2.1
208.27542	0.3
210.80646	0.3
214.60320	0.3
216.32811	0.3
225.00729	17.6
227.13020	0.5
299.04413	1.9
483.19202	1.2
509.16495	0.4
527.17999	100.0
528.18335	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	527.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16477	0.4
58.32550	0.4
59.01378	7.3
61.98816	1.7
62.85803	0.3
63.96227	0.4
69.03454	0.4
71.01377	5.3
71.54861	0.5
71.55216	0.4
73.02944	0.9
78.98595	3.5
79.95737	5.6
80.96516	34.7
85.00048	0.3
85.02967	2.2
87.00887	1.8
88.86040	0.4
94.98081	8.5
96.95998	2.4
97.02911	0.7
99.00888	0.5
101.02428	1.9
106.98091	2.4
107.57397	0.3
113.02435	1.0
116.92862	0.5
117.00426	0.4
122.67533	0.4
122.97604	2.5
125.02428	2.6
134.97603	2.7
136.99120	0.8
141.01700	5.6
148.99129	3.6
152.98605	2.9
164.98624	7.6
206.99660	1.8
225.00728	14.4
227.12883	2.9
262.01199	0.4
299.04352	2.6
377.14322	0.6
407.15131	0.5
527.18011	100.0
528.18298	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	527.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02183	0.3
59.01379	2.5
61.98826	4.4
63.96238	0.7
65.93482	0.3
69.03468	0.7
69.36079	0.3
71.01379	5.7
73.02939	1.4
76.66225	0.3
78.98590	3.5
79.95735	7.3
80.96516	48.7
81.03447	0.7
83.01373	0.4
85.02946	1.9
87.00887	1.8
89.02440	0.9
94.98084	12.4
95.01398	0.5
96.15476	0.3
96.96025	2.9
97.02953	1.7
98.19855	0.5
99.00882	0.5
99.04551	0.3
101.02435	2.5
106.98077	2.4
113.02453	0.9
113.06098	0.7
119.03469	0.3
120.99651	1.2
122.97578	4.5
125.02458	2.7
127.04027	0.6
134.97568	3.5
136.99142	1.4
146.21555	0.3
148.99133	4.2
152.98628	6.3
164.98619	10.1
165.12791	0.5
173.50900	0.3
179.00146	0.3
182.99698	2.3
183.13904	4.1
188.98637	0.4
206.99646	2.5
225.00728	19.8
226.01025	0.5
227.12955	0.7
243.01689	2.1
256.03467	0.3
299.04352	2.7
344.02573	0.3
365.19507	0.6
483.18887	0.9
527.18005	100.0
528.18207	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	527.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
59.01377	1.7
61.98828	24.0
63.96233	0.7
69.03471	0.4
69.06309	0.3
69.35400	2.5
71.01378	5.8
73.02943	1.3
78.98589	5.0
79.95732	7.0
80.96515	49.6
81.03461	0.8
83.01406	0.6
85.02953	2.6
87.00876	2.4
89.02445	0.4
94.98083	11.6
96.96002	4.2
97.02936	1.1
98.20580	0.8
99.00860	0.6
101.02437	2.4
101.73483	0.3
106.98094	2.5
113.02450	0.6
122.97553	2.7
125.02438	2.3
127.03979	0.7
134.97588	3.7
136.99138	1.2
142.03284	0.4
145.07652	0.4
148.99126	5.1
152.98630	5.4
164.98616	9.7
179.00177	0.5
206.99696	1.8
209.11819	2.6
225.00731	15.3
241.00314	0.6
285.04102	0.5
299.04395	3.0
317.05521	0.4
527.17987	100.0
528.18317	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	527.18
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42666	0.3
59.01368	1.1
61.98817	1.4
63.96238	0.5
71.01375	6.2
72.99302	0.6
73.02947	1.1
75.00871	9.2
78.98589	4.3
79.95733	8.1
80.96515	53.2
81.03458	0.7
83.01348	0.5
85.02956	2.7
87.00871	2.3
94.98090	12.2
95.01382	0.5
96.96014	5.8
97.02960	1.0
98.19869	0.7
99.00875	0.6
101.02438	2.1
106.98080	2.7
108.42363	0.3
113.02456	0.4
121.67937	0.3
122.97578	3.0
125.02473	2.0
127.03997	0.5
132.62553	0.4
134.97588	4.4
136.99144	1.6
138.97107	0.5
148.99129	4.8
152.98613	5.0
164.98624	10.7
182.99626	0.5
200.52582	0.3
206.99631	2.0
209.11842	2.9
225.00746	16.7
226.00992	0.4
241.00183	1.7
258.75974	0.3
284.03357	0.4
285.04062	1.7
299.04330	2.7
447.09171	1.3
527.04944	4.8
527.18005	100.0
528.18359	4.9
550.81091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.7
61.98825	3.5
63.96229	0.8
69.03452	0.6
71.01370	5.9
71.54557	0.6
72.99290	0.6
73.02945	1.3
78.98580	3.1
79.95732	4.9
80.96516	34.6
81.03448	0.6
85.02960	2.1
87.00870	1.9
89.02469	0.4
94.98089	9.3
96.96005	3.2
97.02938	1.4
101.02438	1.8
104.45372	0.4
106.98074	1.6
113.02466	0.7
116.92846	1.5
122.97574	1.8
125.02411	2.0
127.03966	0.7
134.97572	2.7
135.04524	0.6
136.99104	0.9
141.01697	4.7
148.99139	4.0
152.98622	3.8
164.98636	6.7
206.99730	1.7
225.00726	14.5
227.12924	2.8
261.40292	0.5
299.04367	2.8
407.15292	0.5
413.77313	0.5
467.17358	0.7
489.19757	0.6
527.17993	100.0
528.18433	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	527.0497
Annotation	Kaempferol 3-beta-(6''-sulfatoglucoside)
Peak:m/z	Relative Intensity
55.41146	0.3
55.60797	0.4
59.01380	2.5
61.98829	6.7
69.03479	0.5
70.74245	1.0
71.01379	3.5
72.99294	0.4
73.02942	1.0
74.87000	0.4
75.00867	1.0
78.95895	0.9
78.98570	0.4
79.95731	4.4
80.96517	11.6
83.01355	0.5
85.02965	1.6
87.00876	1.1
89.02440	0.5
94.98076	2.0
95.01374	0.4
96.96007	100.0
97.02966	0.6
98.95599	0.6
99.00876	1.0
99.38593	0.4
101.02443	1.9
113.02453	1.0
122.97524	0.6
125.02428	0.6
133.02969	1.6
134.97603	0.7
136.99065	0.4
138.97078	9.6
143.03519	0.7
148.99165	0.8
150.97050	1.3
151.00342	0.8
152.98608	0.6
164.98639	2.1
168.98137	0.9
171.77716	0.3
175.03931	0.4
180.32428	0.4
180.98132	0.8
198.99211	0.5
199.04074	0.4
206.99690	0.4
209.11810	2.6
213.00688	0.5
222.99133	1.7
225.00774	1.8
241.00220	32.7
242.00529	0.4
284.03271	3.6
285.04004	18.9
286.04456	0.6
297.04166	1.0
297.30133	0.5
299.05334	0.6
306.17734	0.4
321.20731	0.6
327.05103	1.5
357.06244	2.0
427.85394	0.3
428.94556	0.3
447.09338	5.9
452.20471	1.6
452.26334	0.5
453.20892	0.7
527.04993	78.5
527.17163	16.0
528.05414	3.2
528.18127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63818	0.2
53.59473	0.2
59.01376	1.0
61.98829	100.0
69.45307	1.8
71.01376	1.2
73.02940	0.8
78.98591	1.0
79.95741	1.1
80.96511	7.4
82.96073	0.3
85.45121	0.2
87.00875	0.3
94.98080	1.5
96.96008	1.4
97.02943	0.3
98.20683	0.4
100.58125	0.3
101.02435	0.4
106.98058	0.4
113.02458	0.3
113.58509	0.2
117.45825	0.2
122.97569	0.4
134.97617	0.4
141.30269	0.2
145.07709	1.0
148.99129	0.7
152.98601	0.8
164.98624	0.9
165.98918	0.3
188.08330	1.5
202.02652	0.3
214.10008	0.4
225.00697	1.5
226.00983	0.7
259.99075	0.3
270.64676	0.2
299.04230	0.3
365.22128	0.3
466.18170	0.3
526.16754	14.4
527.17065	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	526.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01932	0.8
59.01392	4.3
61.98830	100.0
69.16824	10.0
70.01726	0.9
71.01376	4.3
78.95905	26.1
89.02457	2.3
96.96992	1.3
99.08150	2.1
100.38317	0.9
101.02473	1.9
120.99609	1.2
127.11262	2.0
139.11270	4.0
140.01189	3.3
142.60435	1.0
152.99577	3.3
165.12834	5.2
171.00626	3.4
171.10263	12.7
176.19409	0.9
183.13899	49.4
193.12331	1.2
196.03870	4.4
211.13400	12.0
214.04733	1.3
227.12859	5.8
229.14485	4.4
253.09264	2.6
263.90228	1.1
329.23291	19.5
463.21848	67.1
464.22220	3.4
526.27838	55.6
527.28314	2.6
554.46130	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.156
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00574	1.6
59.01378	27.7
59.26841	1.0
61.98571	1.2
61.98832	12.6
70.28430	4.2
71.01380	28.1
72.99298	13.5
73.02940	3.7
75.00873	56.3
83.01379	2.2
85.02940	13.6
87.00877	5.0
88.98815	7.2
89.02448	17.9
95.01397	2.3
96.96008	8.3
99.00870	1.8
101.02435	14.5
111.00887	2.3
113.02449	11.7
115.00369	5.1
116.05059	67.1
119.03467	5.7
120.01233	1.5
128.05054	15.2
130.06604	11.0
131.03584	1.5
132.04585	2.4
135.02994	47.3
135.04021	2.5
140.05049	2.6
142.06599	1.8
143.03462	1.8
144.04567	2.9
146.06142	1.4
154.06659	5.5
156.04539	2.6
156.08162	7.2
157.05322	3.6
158.06108	90.6
159.02969	1.2
159.06520	1.6
161.04544	20.5
166.06538	4.0
172.04036	3.5
174.01668	1.4
175.02470	6.3
179.05554	2.3
182.06107	2.4
184.07651	13.3
186.05519	1.7
200.07179	1.5
210.05586	99.8
211.05937	2.7
221.06837	1.3
226.05098	6.2
239.74870	1.2
246.07719	4.1
270.37485	1.2
291.07245	1.8
320.11230	6.9
364.14084	13.5
390.11908	8.7
406.11429	5.1
408.12964	100.0
409.13284	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	525.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
59.23746	0.3
61.98830	9.7
63.96237	0.8
69.03468	0.4
69.50833	2.3
71.01379	5.9
72.27615	0.3
73.02943	1.4
78.98589	4.2
79.41030	0.3
79.95732	7.0
80.96514	48.3
81.03446	0.7
85.02943	2.5
87.00859	2.3
94.98084	11.8
95.01310	0.4
96.96021	2.0
97.02952	1.0
99.00864	0.6
101.02433	1.9
106.98087	2.1
108.85920	0.3
113.02409	0.4
120.99670	0.4
122.97572	2.0
125.02423	2.2
127.04060	0.8
134.97580	3.3
135.04469	0.3
136.51573	0.3
136.99153	1.2
145.07808	0.3
146.97575	0.4
148.99139	4.3
149.00230	0.6
152.98621	4.6
164.98618	9.8
167.00230	0.4
179.00017	0.5
181.12373	0.6
185.23769	0.3
188.98636	0.4
206.99670	1.9
207.10248	1.4
225.00731	15.5
225.11302	2.1
298.00626	0.3
299.04340	2.9
303.15121	0.3
386.66644	0.3
497.16766	1.0
525.16443	100.0
526.16730	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	525.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.4
59.01382	4.9
61.98829	5.3
63.70265	0.4
63.96222	1.0
69.03439	2.6
70.25003	0.4
71.01380	8.5
71.09843	0.4
72.99297	0.4
73.02931	2.1
76.77351	0.4
77.18578	0.4
78.98578	4.0
79.95739	8.0
80.96515	49.9
81.03437	0.5
83.01367	0.9
85.02947	3.6
87.00880	2.9
88.98772	0.5
89.02433	1.6
94.98087	12.7
95.01375	0.7
96.96005	3.5
97.02948	2.8
97.66196	0.5
99.00888	1.2
99.04512	0.6
101.02439	4.6
106.98094	2.1
113.02435	1.8
115.00302	0.7
122.97572	4.3
125.02452	3.0
127.03916	0.5
133.01381	0.6
134.03734	0.6
134.97603	3.9
136.99107	1.7
141.01830	0.5
148.99120	4.8
152.98622	6.1
154.11305	0.4
155.10765	1.1
161.04521	0.7
163.04001	0.5
163.11276	0.5
164.98628	10.3
165.05501	0.5
181.12341	1.0
182.99673	1.6
185.00851	1.8
200.10152	0.5
206.99709	3.1
207.10216	1.6
215.09277	0.8
221.07784	0.5
225.00732	18.1
225.11270	2.6
226.01129	0.6
243.01767	1.7
259.63535	0.4
297.20313	0.5
299.04437	2.2
301.14166	0.7
362.17001	0.5
363.17139	1.4
465.23309	5.1
476.69974	0.4
481.17557	7.5
525.16370	100.0
526.16632	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	524.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16013	0.1
59.01372	0.6
61.98829	100.0
69.24554	0.1
71.01369	0.7
78.95904	2.0
78.96323	0.2
89.02478	0.2
96.96017	0.2
96.96967	0.2
101.02469	0.2
101.30644	0.1
113.02421	0.2
115.00378	0.4
133.01447	0.3
133.44830	0.1
152.99600	0.5
154.29616	0.1
171.00630	0.5
197.11841	0.2
225.11377	0.2
226.12051	0.1
227.12119	0.2
234.51619	0.2
258.08023	0.2
258.12469	0.2
284.03400	0.2
286.03839	0.1
300.05890	0.2
302.06628	0.2
302.14883	0.3
321.14307	0.1
328.16446	0.4
346.17581	0.6
364.18652	0.3
390.16565	0.4
408.18182	0.2
461.11032	0.2
464.21362	0.3
474.34006	0.2
524.26288	1.8
524.34033	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74055	1.2
59.01378	4.8
61.14699	0.9
61.98808	1.2
69.98609	2.2
69.99013	3.7
71.01374	4.0
78.95903	18.8
81.28637	0.8
83.32758	1.0
84.62010	1.0
86.11678	1.0
95.34087	0.9
96.95975	1.8
96.96970	2.0
113.09721	3.0
115.00341	1.7
140.69850	0.9
152.99576	26.2
171.00630	2.9
178.02690	1.4
179.14412	1.6
181.12300	1.4
195.13902	21.8
209.11888	1.7
219.20128	1.1
227.03159	2.0
236.63979	1.0
245.04218	2.7
252.72517	1.1
277.21692	21.3
278.22058	1.3
291.19659	1.4
295.22760	100.0
296.23114	3.7
309.20624	1.6
319.22839	1.5
487.34427	11.5
505.22195	6.3
523.26648	83.8
524.27234	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	524.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
61.98827	100.0
71.01379	0.3
78.95892	0.2
85.02972	0.2
96.96087	0.1
101.73862	0.2
115.00430	0.2
133.01382	0.3
170.48424	0.2
174.52544	0.1
176.26233	0.2
188.74631	0.1
229.48810	0.2
283.89517	0.2
284.03250	0.3
285.03586	0.4
286.03922	0.2
287.04224	0.3
299.05704	0.3
300.06061	0.5
301.06320	0.5
302.06619	0.3
328.16605	0.2
346.17603	0.3
390.16599	0.3
439.01257	0.2
453.01859	0.2
523.34558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01381	2.0
61.98832	0.7
69.38226	0.3
69.38537	2.9
71.01398	0.4
73.36279	0.3
77.99548	0.3
78.95902	24.8
96.95998	0.7
96.96954	2.2
97.06620	0.6
98.19905	0.5
112.94097	0.4
113.09737	2.1
117.85149	0.3
136.00854	0.3
139.11438	0.3
150.98041	0.6
152.99583	35.9
153.99832	0.4
171.00662	2.2
171.10297	0.8
177.12909	0.6
179.14349	0.8
181.12354	1.3
195.13887	19.8
227.03242	3.8
232.07449	0.3
245.04282	1.4
251.57159	0.3
277.21719	16.8
278.22116	0.7
293.20975	0.4
295.22763	70.2
296.23129	3.1
345.16995	0.3
431.22012	1.8
487.34302	1.0
523.26727	100.0
524.26996	5.9
524.34186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
57.03450	1.2
58.00592	1.4
59.01379	47.9
61.98812	1.2
65.56673	0.9
69.03425	1.2
71.01380	46.7
72.99303	2.2
73.02946	8.8
83.01382	4.6
85.02962	13.5
86.39245	1.2
87.00882	3.5
89.02447	35.0
95.01386	1.8
96.96001	5.9
97.02962	2.5
99.00877	4.0
101.02437	24.7
109.36414	1.0
111.00884	2.7
113.02438	10.5
115.00384	2.7
119.03477	2.6
119.05009	1.0
122.06123	2.3
125.02444	4.5
128.90195	1.6
131.03488	13.4
133.01460	2.0
143.03477	2.2
149.04561	15.8
159.03035	1.2
161.04524	8.2
175.00267	1.1
191.05600	4.7
233.06639	2.5
248.41985	1.1
293.08746	2.8
301.14462	2.8
331.17596	12.5
343.12939	4.4
345.17014	3.8
389.16116	1.7
426.28925	1.0
463.21805	100.0
464.22128	4.6
523.27704	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	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	64.5
61.86196	1.5
61.98820	5.6
62.28331	1.5
69.03449	2.8
70.35372	3.8
70.35754	3.1
70.54405	1.4
71.01379	70.6
72.99311	3.0
73.02946	13.0
75.28206	1.5
75.94091	1.4
83.01382	3.6
85.02962	13.3
87.00861	4.2
88.98821	2.4
89.02441	67.5
89.32646	1.5
94.12281	1.4
95.01400	2.1
96.95979	2.8
97.02936	2.7
98.19878	1.6
99.00859	12.0
101.02446	42.2
104.98801	1.4
113.02438	12.9
115.00350	9.5
119.03461	4.7
125.02430	3.6
131.03522	18.1
133.01418	9.6
141.09436	1.5
143.03456	2.3
149.03358	3.3
149.04550	56.9
149.13519	1.4
161.04544	10.9
163.03929	1.8
169.12346	2.2
184.47496	1.5
191.05634	9.9
199.13470	2.3
202.96562	1.5
209.11807	15.9
227.12952	7.8
228.07896	1.8
229.12294	1.6
233.06741	1.9
247.09843	1.8
247.65623	1.4
251.07640	2.2
253.09096	3.5
254.09473	2.2
255.14023	1.7
257.11877	4.1
268.31769	1.5
272.10413	4.0
273.14847	5.2
283.08817	1.7
283.13394	4.0
293.08777	2.9
298.11981	2.2
301.14447	10.7
311.09811	3.3
311.13031	2.1
315.21820	1.4
327.15927	16.8
331.17734	7.4
345.16983	20.9
363.18134	2.2
389.16040	10.5
407.17035	7.4
463.21841	100.0
464.21942	4.9
493.19482	7.2
505.19702	6.2
523.34674	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	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
57.03436	1.4
59.01380	18.7
59.19152	0.7
60.90888	0.7
61.12568	0.7
61.98822	1.5
66.80314	0.7
69.03448	1.0
69.42850	1.8
69.43275	4.1
71.01383	26.7
72.99293	1.2
73.02946	11.1
75.00830	0.9
83.01386	3.7
85.02950	11.8
87.00907	0.9
89.02440	7.2
95.01363	2.4
96.96000	4.0
97.02928	2.0
99.00881	4.4
101.01791	1.5
101.02440	22.7
113.02457	10.3
115.00416	0.9
115.03977	1.5
119.03512	1.0
125.02428	1.5
127.95943	0.7
131.03476	1.3
133.01440	1.7
137.09720	3.8
143.03511	1.4
149.04539	1.2
155.10779	32.6
159.02991	3.1
161.03255	1.0
161.04549	14.6
165.15935	0.8
179.05540	0.9
199.09750	31.1
200.10118	1.0
213.11197	0.8
218.33093	0.7
227.12892	2.2
233.06317	0.9
241.10814	1.5
301.14499	1.4
331.17627	12.1
339.90485	0.8
345.17090	2.0
361.15176	5.3
361.22198	0.9
413.45245	0.9
463.21823	100.0
464.22195	3.3
523.20313	2.5
523.27557	15.5
524.27417	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	523.2184
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03440	0.4
59.01112	0.4
59.01383	6.4
59.23259	0.4
61.98816	1.1
69.03460	0.5
71.01386	7.2
72.99321	0.9
73.02950	1.9
78.61314	0.4
83.01392	0.5
85.02948	2.0
87.00848	0.9
89.02448	4.8
93.03471	0.9
95.01404	0.5
96.95991	1.3
98.19863	0.8
99.00863	1.0
99.33047	0.4
101.02447	4.0
108.02149	0.5
109.02953	4.3
113.02425	1.7
115.00378	1.1
119.03467	0.7
121.02953	11.4
122.03737	10.9
123.04515	1.6
124.01631	1.0
125.02441	0.7
129.03416	0.7
131.03488	1.2
133.01411	1.3
134.03712	0.9
135.04494	1.5
136.05286	0.9
137.02402	1.5
137.09720	1.0
146.03687	0.5
147.04510	5.1
149.04543	2.2
149.05989	0.7
150.03224	0.7
151.00308	0.5
154.02705	1.2
155.10759	12.2
157.37079	0.4
159.04457	0.4
160.22852	0.4
161.04530	1.2
161.06018	1.8
162.06819	0.4
164.04625	0.4
165.05562	23.6
168.04214	0.6
175.07726	0.5
178.06334	0.7
179.07104	7.1
199.09738	13.5
201.76749	0.4
208.07317	0.6
209.08235	0.5
223.09677	1.2
227.12892	1.2
283.13403	0.5
301.14359	1.7
313.14438	1.2
315.12350	2.5
316.13147	0.5
327.15985	0.6
331.14496	0.9
331.18008	0.5
343.15771	0.5
345.17102	1.8
346.14148	9.3
347.14175	0.8
361.16537	100.0
362.16864	4.9
389.15952	0.7
407.17163	0.9
461.68558	0.4
463.21826	8.1
523.21106	0.5
523.27716	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	523.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03461	1.0
58.00587	0.7
59.01379	28.2
61.98836	3.4
69.03474	1.3
69.22385	6.3
71.01379	23.8
72.99319	1.4
73.02944	5.5
74.77401	0.6
75.00834	0.6
79.95758	0.7
83.01398	3.7
85.02953	9.9
87.00871	2.7
88.98841	1.0
89.02451	9.5
90.23071	0.6
95.01389	1.6
96.96004	21.3
97.02952	1.6
99.00865	3.0
101.01795	1.0
101.02438	13.5
109.02958	4.0
111.00874	0.8
113.02438	6.8
115.00383	5.3
119.03497	3.1
121.02959	9.9
122.03731	9.8
123.04536	1.7
124.01661	0.8
129.03462	1.2
131.03465	1.2
133.01430	4.7
134.03719	1.5
135.04514	2.5
136.05304	1.3
137.02472	2.1
147.04535	6.0
148.05321	1.1
149.04539	1.1
149.06039	0.9
151.03981	1.3
154.02698	1.5
155.10741	4.7
161.04529	1.8
161.06071	2.1
163.07668	0.8
164.04868	0.7
165.05551	20.1
175.07564	1.0
179.07097	6.7
191.07077	2.3
193.08760	0.8
199.09753	2.3
199.13449	1.0
204.07851	0.6
209.08130	0.8
209.11798	7.9
223.09763	0.6
225.09225	0.6
227.12766	3.2
228.07907	1.1
229.08708	1.2
229.12234	0.9
233.02303	0.6
244.10970	1.2
253.09221	1.2
255.14091	1.0
257.11807	2.0
272.10437	1.4
273.14905	2.7
283.13467	2.2
298.12054	3.0
301.14426	11.1
302.15021	0.8
311.12918	0.7
313.14395	2.3
315.12445	1.5
316.13382	0.8
319.15680	0.9
327.15952	7.5
328.13135	1.5
329.13864	2.7
331.17780	1.0
343.15546	4.6
345.17007	11.4
346.14133	8.5
347.14905	2.8
361.16531	75.0
362.17172	3.7
363.17914	1.0
389.15872	6.2
407.17017	4.6
463.21741	15.8
479.25012	4.6
523.21741	100.0
524.22119	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	523.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
57.03440	1.1
58.00576	1.0
59.01380	18.7
61.98842	0.8
67.60370	0.7
69.72950	2.8
69.73374	1.3
71.01385	16.4
72.99295	0.9
73.02944	5.1
74.61470	0.7
81.55230	0.7
83.01386	2.1
85.02953	5.3
87.04518	2.4
89.02452	11.6
89.02983	0.5
95.01402	1.5
96.96011	2.3
97.02911	0.9
98.19903	1.2
99.00884	2.2
101.02435	10.4
113.02452	9.1
119.03532	4.0
125.02405	0.8
133.01462	0.7
135.08151	1.1
137.09723	8.0
139.11299	0.9
143.03453	1.4
155.10776	84.4
156.11075	1.6
161.04578	4.8
169.12329	1.4
173.71478	0.7
179.05659	2.0
181.08643	0.8
181.12355	1.2
199.09744	100.0
200.10042	2.1
213.11401	1.1
227.12794	1.6
227.29451	0.7
233.72887	0.7
240.93979	0.7
241.10696	3.7
301.14532	0.8
331.17578	3.9
343.21918	0.7
345.16937	1.2
361.15048	14.3
361.22043	1.7
463.21829	33.8
464.22260	0.9
523.20813	0.7
523.27618	13.3
524.27893	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2183
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01870	1.2
57.03461	1.0
58.00587	0.7
59.01379	28.2
61.98836	3.4
69.03474	1.3
69.22385	6.3
71.01379	23.8
72.99319	1.4
73.02944	5.5
74.77401	0.6
75.00834	0.6
79.95758	0.7
83.01398	3.7
85.02953	9.9
87.00871	2.7
88.98841	1.0
89.02451	9.5
90.23071	0.6
95.01389	1.6
96.96004	21.3
97.02952	1.6
99.00865	3.0
101.01795	1.0
101.02438	13.5
109.02958	4.0
111.00874	0.8
113.02438	6.8
115.00383	5.3
119.03497	3.1
121.02959	9.9
122.03731	9.8
123.04536	1.7
124.01661	0.8
129.03462	1.2
131.03465	1.2
133.01430	4.7
134.03719	1.5
135.04514	2.5
136.05304	1.3
137.02472	2.1
147.04535	6.0
148.05321	1.1
149.04539	1.1
149.06039	0.9
151.03981	1.3
154.02698	1.5
155.10741	4.7
161.04529	1.8
161.06071	2.1
163.07668	0.8
164.04868	0.7
165.05551	20.1
175.07564	1.0
179.07097	6.7
191.07077	2.3
193.08760	0.8
199.09753	2.3
199.13449	1.0
204.07851	0.6
209.08130	0.8
209.11798	7.9
223.09763	0.6
225.09225	0.6
227.12766	3.2
228.07907	1.1
229.08708	1.2
229.12234	0.9
233.02303	0.6
244.10970	1.2
253.09221	1.2
255.14091	1.0
257.11807	2.0
272.10437	1.4
273.14905	2.7
283.13467	2.2
298.12054	3.0
301.14426	11.1
302.15021	0.8
311.12918	0.7
313.14395	2.3
315.12445	1.5
316.13382	0.8
319.15680	0.9
327.15952	7.5
328.13135	1.5
329.13864	2.7
331.17780	1.0
343.15546	4.6
345.17007	11.4
346.14133	8.5
347.14905	2.8
361.16531	75.0
362.17172	3.7
363.17914	1.0
389.15872	6.2
407.17017	4.6
463.21741	15.8
479.25012	4.6
523.21741	100.0
524.22119	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	522.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18393	0.3
59.01381	2.1
61.98830	100.0
69.44155	1.6
69.44549	0.4
71.01394	1.3
85.02939	0.4
85.52185	0.3
89.02448	0.5
89.14621	0.3
94.68672	0.2
98.19863	0.2
101.02444	0.4
115.00385	0.6
132.02992	0.3
133.01491	0.4
154.37070	0.2
203.07240	0.6
204.07864	0.3
215.07306	0.3
223.13423	0.4
224.13788	0.8
225.13907	0.5
230.09520	0.3
232.07405	1.2
247.09908	0.6
327.16061	0.3
341.27182	0.6
342.27359	0.5
345.17108	0.5
389.16049	1.2
407.17261	1.0
521.33411	2.2
522.33636	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	523.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.9
60.38783	0.4
61.98825	1.0
63.96238	0.8
69.03469	0.7
69.36479	1.0
69.36897	2.2
71.01379	8.3
72.99303	0.6
73.02934	1.0
75.00858	1.2
78.98582	4.7
79.95734	7.3
80.96513	51.4
81.03446	0.9
85.02921	2.7
87.00877	4.2
94.98077	11.7
96.95980	1.1
97.02955	1.6
101.02462	2.3
106.98083	2.8
107.01374	0.4
108.98006	0.4
109.02930	2.1
113.02442	0.6
115.00373	2.7
122.97556	2.6
125.02447	2.3
127.03969	0.7
133.01407	1.9
134.03760	1.3
134.97589	4.1
136.99153	0.9
147.04434	0.5
148.99156	4.4
151.03996	1.0
152.98630	4.8
164.97311	0.8
164.98622	10.8
173.06068	1.3
174.06755	0.5
175.03989	1.0
175.07671	1.0
186.06862	0.8
187.07611	0.5
191.07306	0.4
195.13857	0.4
199.07730	0.4
202.06421	0.4
203.07111	1.5
204.07854	1.7
205.12437	0.5
206.99678	2.2
211.13388	1.6
214.06403	0.9
215.07124	1.0
217.08710	1.1
223.13390	1.9
225.00719	15.6
229.08665	1.0
230.09494	0.9
232.07399	1.7
233.07906	0.6
247.09769	2.0
248.10378	2.1
299.04453	2.8
301.14508	0.9
327.16260	0.8
329.13895	0.5
345.17056	1.6
371.15039	0.8
383.16531	0.5
389.16098	3.9
391.86017	0.4
407.17020	7.4
447.22104	1.0
449.21503	0.8
475.55774	0.4
523.18524	100.0
524.18719	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
58.00590	1.6
59.01377	14.2
60.99283	0.9
61.98817	1.6
69.56937	4.6
71.01022	0.8
71.01389	12.6
72.99306	1.2
73.02946	3.4
78.09834	0.7
83.01391	1.2
85.02955	6.5
87.04511	6.3
89.02428	6.1
93.03433	1.5
95.01368	2.5
98.19870	0.9
101.02451	10.2
113.02446	8.9
115.00344	1.0
119.03480	2.9
131.03525	0.9
133.01396	2.0
135.04503	2.3
135.08125	2.1
137.02448	3.5
137.09708	14.6
139.11238	1.2
155.10780	82.1
156.11104	1.4
160.04048	1.0
161.04610	4.5
169.12321	3.6
181.08685	4.8
189.04277	2.9
199.09758	100.0
200.10136	2.0
203.05847	1.0
213.11188	3.8
227.12915	1.5
230.35179	0.9
241.10809	17.2
253.10837	1.0
267.11331	2.8
271.11902	1.5
301.12750	7.5
311.10498	4.7
313.10840	3.3
325.11707	1.0
331.11777	0.9
337.97443	0.8
343.13202	10.2
345.16974	1.1
345.22412	1.1
361.15271	13.1
472.59961	0.8
523.19708	2.1
523.27533	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	522.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17783	0.3
59.01374	4.0
61.91084	0.3
61.98827	100.0
63.87571	0.3
67.05025	0.3
70.63176	0.8
71.01379	2.7
79.94603	0.3
83.46049	0.2
87.00892	0.4
88.04050	0.8
96.96028	0.8
101.02431	0.5
111.00897	0.9
113.02420	0.4
115.00364	2.0
131.11780	0.3
132.03061	0.5
133.01450	1.6
147.04573	0.4
161.70300	0.3
172.58020	0.3
173.06078	0.8
175.04002	0.7
175.07646	0.6
177.05617	0.6
187.07657	0.8
193.57085	0.3
203.06982	1.3
204.07892	1.3
211.13460	0.4
214.06284	0.4
215.07091	0.6
217.08694	0.7
224.13837	0.5
226.14304	0.5
229.08688	0.5
230.09525	0.9
232.07448	1.9
233.08224	0.6
247.09712	0.9
248.10524	1.4
249.11220	0.4
251.39349	0.3
276.09607	0.3
301.14520	0.7
327.16116	0.7
329.14093	0.4
345.17151	1.0
388.14856	0.7
389.15958	3.2
407.17120	3.4
427.08142	0.3
462.23969	0.4
504.18906	1.2
521.33392	0.5
522.19543	0.5
522.33282	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	36.7
60.99294	0.9
61.98830	100.0
64.08210	0.7
69.03461	0.9
71.01376	5.2
71.55630	0.8
73.02946	1.2
85.02962	1.3
88.98799	7.0
89.02441	3.9
94.94564	0.6
96.96027	1.0
101.02429	3.3
109.35523	0.6
113.02482	1.5
115.00390	1.3
133.01456	1.1
149.04613	2.0
161.04536	0.9
209.11856	2.2
232.28378	0.7
235.08353	0.6
253.09151	0.6
281.19849	0.6
283.13654	0.7
284.10361	0.6
301.14590	1.2
312.09778	0.7
327.16168	2.2
342.14392	0.7
344.15186	0.6
345.17188	2.2
373.22461	2.0
389.16064	0.9
407.17102	1.3
415.23126	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98591	15.9
59.01369	56.3
61.98828	72.7
71.46180	20.3
75.47987	14.7
78.95904	18.2
87.53724	15.2
88.50368	15.0
96.95983	36.4
110.79561	16.6
129.02887	16.4
196.72217	18.3
199.13474	20.8
207.10245	37.4
209.11836	36.3
293.21207	40.4
295.22757	36.3
299.05511	18.7
334.81042	16.8
379.09793	20.4
440.97171	19.0
452.79266	19.1
457.08417	18.7
463.24634	46.9
470.74432	19.2
485.32614	28.3
521.30328	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.0
57.03445	4.0
58.00583	1.0
59.01380	16.3
61.98824	1.2
69.03452	0.9
69.07033	0.3
69.56474	1.2
69.56875	0.7
71.01378	19.4
71.05029	0.4
72.99304	1.2
73.02943	8.7
75.00851	0.4
78.95908	0.5
82.61198	0.3
83.01388	4.7
84.56597	0.3
85.02951	13.1
86.00110	0.3
87.00880	1.3
87.04507	0.5
89.02461	1.5
95.01402	1.7
95.05008	0.5
96.95971	0.4
97.02959	0.9
97.06594	2.4
98.95557	0.6
99.00871	3.2
99.08117	0.6
101.02443	18.2
111.00877	3.4
113.02455	7.5
113.03253	0.4
115.00369	0.9
115.32243	0.3
119.03527	0.5
123.39020	0.3
129.01917	0.7
131.03409	0.3
133.01427	0.5
143.10780	3.1
152.57379	0.3
156.33292	0.3
159.02942	1.5
159.04265	0.3
161.04567	2.2
173.06042	0.6
176.04083	0.3
197.15437	0.4
211.17058	0.4
223.20718	0.4
227.07181	0.4
228.07880	0.4
245.08186	0.4
249.11328	0.5
250.27425	0.3
271.22748	1.2
284.03357	0.7
299.05563	0.9
299.25931	0.8
311.25925	2.2
313.27328	0.5
323.25879	1.2
339.25592	0.6
343.15536	0.5
343.28476	0.4
359.23923	0.5
359.28003	5.3
387.14667	0.7
405.15549	0.5
433.27979	4.0
461.31226	0.9
465.21564	0.3
473.31073	1.3
485.31140	0.3
486.60669	0.3
501.30975	0.4
503.32126	2.4
521.33270	100.0
522.25854	0.4
522.33667	6.6
532.86383	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90496	0.9
51.71077	0.8
55.01877	1.4
56.55421	0.8
57.03451	1.4
59.01380	38.4
60.99300	5.6
61.98823	5.4
69.03458	10.9
69.24976	5.5
69.25394	2.6
71.01382	24.0
71.05017	1.3
72.99311	3.3
73.02940	4.8
83.01396	2.4
85.02947	7.4
87.00893	4.7
87.36546	1.1
88.98807	40.7
89.02443	12.5
93.03464	6.6
94.56516	0.9
95.01379	2.6
96.96017	7.3
97.02956	10.0
97.14935	0.8
97.43772	0.9
98.19885	1.8
99.00887	11.1
101.02442	12.2
109.06600	2.5
110.03751	1.8
111.00819	0.9
113.02447	8.9
115.00363	4.3
115.14633	1.0
119.03481	3.6
123.00905	2.1
124.78693	1.0
125.09721	2.6
133.01451	4.9
137.02438	20.7
141.01955	1.8
141.09207	2.1
142.02681	1.4
153.09160	1.4
161.04582	3.2
163.11281	6.0
171.10289	3.2
178.02473	1.1
179.05577	1.5
181.12329	16.8
185.00938	6.6
187.07640	1.6
191.03503	1.2
199.13409	2.0
202.06316	1.1
207.10258	41.6
213.09169	1.2
215.07227	1.6
215.09245	6.5
217.08667	1.2
225.11324	100.0
226.11737	2.4
227.07104	1.4
228.07944	2.5
231.10234	1.1
235.08154	1.2
239.07137	2.2
241.14496	3.1
243.12326	6.7
245.08336	1.4
252.08064	1.7
253.09154	9.4
281.11853	1.1
297.14758	1.2
305.03064	3.0
311.09180	1.5
325.14392	10.4
326.11392	1.3
327.12393	1.4
335.01172	1.1
341.13977	2.5
343.15442	9.0
361.16592	1.8
387.14380	8.5
388.14835	1.0
391.23358	1.3
401.10846	7.5
405.15488	4.7
461.20288	61.2
461.26617	2.1
462.20938	2.9
477.23297	2.4
521.12799	1.5
521.34229	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	521.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32529	0.6
55.01854	0.7
56.99440	0.7
57.03418	0.7
59.01377	14.5
61.98835	6.4
65.15973	0.7
66.41773	0.6
71.01378	7.5
72.99268	0.8
73.02932	2.1
77.24835	0.7
83.01367	1.4
83.11111	0.7
85.02936	1.6
89.02444	2.2
89.68075	0.6
93.71674	0.8
97.02951	4.4
99.00882	5.4
101.02441	4.0
106.06604	2.6
109.06599	1.0
110.03740	1.6
110.13599	0.7
113.02426	2.3
115.00320	1.3
115.07735	0.6
119.03504	1.1
120.08156	1.6
121.80784	0.6
125.09692	1.9
125.76199	0.7
127.42610	0.7
133.01471	1.1
142.02695	0.8
151.00407	0.8
161.04515	1.1
163.11252	5.0
181.12325	11.8
187.07784	0.7
203.57663	0.7
207.10236	30.1
225.11296	68.2
226.11665	1.8
227.07074	0.8
235.07985	0.8
243.12363	5.4
253.09216	2.4
253.13614	1.0
255.02809	3.4
256.03714	1.7
283.02570	1.5
284.03235	76.8
285.03656	2.7
297.04068	1.0
297.12363	1.1
299.05591	100.0
300.06009	2.6
325.14343	0.7
341.06995	0.7
341.11279	1.5
343.15518	2.0
359.12482	1.4
387.14380	2.1
405.15231	0.8
461.20248	42.6
462.20642	2.0
521.25751	0.9
521.33600	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	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08091	0.8
51.30024	0.7
51.63219	0.7
54.52298	0.8
55.01886	1.6
58.00585	3.5
59.01379	100.0
61.98831	4.5
65.87632	0.8
68.99569	0.9
69.03448	1.4
70.36124	1.6
70.36541	2.5
71.01383	65.5
72.99313	4.7
73.02941	3.7
75.00883	1.5
83.01381	3.3
85.02947	11.9
87.00896	4.6
89.02443	84.7
89.19400	0.9
93.03448	1.1
95.01395	3.1
96.96016	6.3
97.02973	2.8
99.00879	4.8
101.02441	43.5
108.02158	0.9
109.02985	1.6
112.98631	1.2
113.02446	31.0
115.00372	2.6
119.03501	40.9
121.02968	1.6
121.39847	0.8
122.03724	1.1
123.00889	2.1
123.04532	1.9
123.94596	0.9
124.01648	1.1
125.02470	2.0
131.03491	5.4
133.01428	2.6
135.04526	3.7
136.01651	11.5
136.40472	0.9
137.02440	4.3
143.03497	7.4
149.04541	7.0
151.04007	17.4
158.03586	0.9
159.04535	2.3
160.05333	5.7
161.04585	9.0
161.05875	1.4
166.05095	1.0
172.05280	2.6
173.06067	2.5
174.06895	2.9
175.07617	3.2
177.01926	1.1
179.05614	18.2
185.00969	1.4
185.06038	1.1
187.07639	1.2
189.05582	10.4
189.09163	1.2
190.06323	5.9
191.05656	1.9
199.09761	1.4
202.06245	1.3
205.08693	4.6
215.09172	1.4
225.11325	1.3
227.07166	1.0
253.08853	1.7
261.89572	0.9
273.51056	1.0
281.08209	2.0
293.08319	0.9
296.10443	3.9
308.10526	1.4
311.09680	1.1
311.12936	3.9
312.13443	1.1
315.61993	1.0
323.12823	3.1
325.14291	3.5
326.11810	1.6
329.13681	6.3
341.13931	42.0
342.14059	1.5
343.15436	3.6
359.14960	3.1
387.14365	3.1
405.15674	1.9
458.44934	0.9
461.20267	20.0
477.23569	1.9
521.18896	8.8
521.26849	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	521.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.4
61.98817	0.9
67.24444	0.3
69.03447	1.3
69.74355	0.3
70.57449	0.3
71.01378	3.4
71.55891	0.3
73.02932	1.0
82.95418	0.4
83.01380	0.4
85.02966	1.6
87.00880	0.4
89.02451	1.2
91.67437	0.3
93.03438	0.4
95.01390	0.3
96.96001	1.2
97.02951	0.3
99.00861	0.9
101.02439	1.9
107.98276	0.3
109.03043	0.4
113.02447	1.6
115.00323	0.4
119.03407	0.3
121.02936	3.3
122.03726	1.2
123.00866	0.8
123.04465	0.8
124.01643	0.5
133.01379	0.4
136.01662	0.6
136.05273	1.1
137.02457	0.5
137.06081	0.5
143.05035	0.6
145.02921	0.3
147.04521	1.9
149.02431	1.3
149.04471	0.3
150.03215	5.8
151.04027	1.0
158.03714	2.2
159.03191	0.6
159.04500	6.8
160.05287	25.3
161.04553	1.3
161.06046	6.7
162.03166	0.5
163.03995	4.7
164.04771	4.6
165.05455	0.4
168.04250	0.4
173.06053	3.5
174.06807	0.6
175.07628	22.1
176.04822	0.7
176.08026	0.8
177.05542	5.8
178.06320	7.4
179.03474	0.5
179.55579	0.3
185.00890	1.3
192.07919	1.6
193.08640	2.6
235.54903	0.3
270.64926	0.3
289.00134	0.3
299.09299	0.4
299.12933	0.5
314.11618	0.7
329.13904	100.0
330.14261	4.7
359.14883	5.8
387.14508	0.5
405.15063	0.3
449.73264	0.3
461.20236	0.4
521.19855	1.2
521.26581	3.7
523.52240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2023
Annotation	(2S,3R)-Dihydrodehydrodiconiferyl alcohol beta-D-glucoside
Peak:m/z	Relative Intensity
50.30070	0.8
56.00696	0.7
57.03429	0.8
59.01379	20.8
69.03443	1.7
71.01382	14.3
71.54971	0.9
71.55351	0.8
73.02948	2.4
83.01380	1.0
85.02975	3.6
87.00884	1.1
89.02444	14.6
93.03467	0.9
96.95997	1.7
97.02942	1.0
99.00888	1.2
101.02446	10.0
113.02435	3.3
115.00336	1.0
117.03382	0.8
119.03532	1.6
121.02929	3.7
122.03722	0.8
123.00851	0.9
131.03505	5.1
133.01428	0.9
134.03735	2.8
135.04527	1.6
136.01627	1.3
136.05211	0.9
137.02446	2.0
147.04503	2.1
148.05312	8.1
149.02466	1.2
149.04546	14.1
150.03221	3.8
151.03975	2.7
158.03746	1.6
159.04489	8.4
160.05290	21.5
161.04599	1.8
161.06055	6.9
163.03996	5.3
163.07655	8.1
164.04779	4.8
173.06076	2.9
175.07628	19.6
175.09042	1.5
176.04811	1.0
177.05589	8.8
178.06352	7.3
180.04276	1.1
191.05626	2.9
192.07919	1.1
193.08691	3.3
195.06621	8.8
209.08076	0.9
215.09222	1.7
223.75226	0.7
241.05023	0.7
269.08121	0.9
311.09549	1.0
314.11523	2.2
315.12372	2.1
325.14346	0.8
326.11411	1.1
329.13928	100.0
330.14166	4.3
341.14111	1.6
343.15622	0.9
359.15045	11.2
359.19525	1.4
361.15887	0.9
387.14490	2.0
461.20560	0.9
461.27341	0.8
477.23669	1.3
479.28918	1.1
521.26270	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	520.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	65.6
60.01712	0.5
61.98830	100.0
67.50308	0.3
69.36143	2.0
69.36559	0.8
70.11897	0.3
71.01383	4.8
73.02945	1.8
78.75418	0.3
83.01382	0.5
85.02953	2.1
85.28282	0.3
87.00820	0.4
89.02435	1.2
94.97386	0.3
95.01389	0.4
95.37877	0.3
96.96004	1.7
97.02938	0.5
99.00893	0.5
101.02459	2.7
101.21747	0.4
113.02433	2.2
115.00317	0.3
133.01405	0.5
161.04512	1.6
189.46922	0.3
209.15459	0.7
284.03003	0.6
299.05243	0.5
353.19464	0.5
371.20767	2.5
387.14127	0.6
404.17847	0.4
408.45428	0.4
413.21786	6.0
414.21481	0.4
520.32526	0.7
521.32690	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25558	0.5
61.98828	2.8
62.96402	0.6
70.87018	1.0
78.95905	65.6
91.43262	0.5
96.15489	0.4
96.96973	5.8
145.53873	0.5
150.98032	1.5
152.99585	100.0
171.00626	2.8
190.84171	0.4
279.23364	1.7
279.53885	0.5
433.23590	47.2
434.23697	2.4
481.22940	0.6
520.26855	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	521.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03389	0.2
59.01373	1.5
61.98782	0.9
65.00317	0.3
69.44646	1.8
73.02900	0.5
82.45789	0.2
83.01344	0.3
83.30177	0.2
85.02889	0.9
101.02425	1.2
113.02422	0.6
134.03680	0.3
148.06505	0.2
151.00302	0.6
179.25677	0.2
200.04744	0.3
211.03935	0.3
227.03383	0.3
235.51540	0.2
243.12280	0.3
255.02950	3.2
256.03671	1.6
283.02441	1.7
283.05643	0.4
284.03223	71.0
285.03519	2.7
297.04080	1.2
299.05569	100.0
299.30191	0.3
300.05936	4.4
341.06653	1.3
343.15448	0.4
359.27994	0.5
377.00241	0.2
387.13864	0.3
405.15530	0.3
439.23749	0.2
521.33441	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	520.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	34.2
61.98828	100.0
69.54242	2.7
71.01376	3.9
73.02939	1.0
83.01385	0.7
85.02966	0.7
89.02455	1.1
96.92722	0.4
96.95999	1.7
101.02439	2.1
113.02465	1.4
119.03556	0.6
127.16847	0.4
133.02928	0.7
135.04526	0.5
143.03513	0.5
161.04546	1.8
203.05713	0.4
217.26216	0.5
266.03510	0.4
269.50793	0.5
281.08176	0.5
309.15118	0.4
371.20856	0.9
413.21518	2.3
464.35016	0.6
475.50009	0.4
491.18909	1.9
503.19141	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.5
59.01382	18.6
59.32337	0.3
61.98829	100.0
62.25023	0.4
68.88127	0.4
69.03452	0.5
71.01385	9.1
71.55483	0.6
72.99332	0.6
73.02943	7.5
82.88793	0.5
83.01379	2.6
85.02482	0.5
85.02941	2.1
85.07787	0.4
86.02464	0.4
87.00896	0.8
89.02431	2.5
95.01373	0.7
96.96069	0.3
99.00906	0.3
101.02437	10.2
111.00887	0.4
113.02461	4.2
115.00401	0.6
119.03522	1.4
125.02398	0.5
131.03546	0.7
133.01483	0.5
143.03511	1.3
149.04572	1.6
159.03026	0.5
161.04588	3.2
221.06688	1.1
243.12422	0.5
271.02484	0.4
272.02798	0.6
300.02417	0.6
301.03021	0.4
316.05594	0.6
325.14560	0.5
343.15347	0.6
346.23141	0.4
358.13705	0.4
372.15399	0.4
387.14645	0.7
391.23538	0.5
405.15668	0.5
430.75732	0.4
520.11908	0.6
520.25269	3.1
521.25775	0.3
521.33258	7.4
524.96881	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.6
61.98822	1.3
66.15411	0.8
71.05020	2.1
71.55376	1.0
78.95921	1.2
83.05022	1.4
91.01520	0.8
97.02950	5.5
97.06595	1.2
99.00883	16.0
102.29530	0.9
106.09341	0.7
109.06558	1.0
110.03725	1.6
125.09698	4.4
125.68981	0.8
133.89392	0.9
142.02727	1.4
163.11287	5.9
179.10762	0.9
179.80945	0.8
181.12343	20.0
189.09164	1.0
195.13930	2.2
199.13402	7.4
207.10255	42.3
208.10631	1.1
225.11317	71.2
226.11586	2.2
227.12964	1.0
243.12357	100.0
244.12672	3.1
278.31918	0.8
293.21243	21.4
294.21329	1.0
309.20679	2.2
338.79663	0.9
451.69321	0.8
519.33234	59.5
520.33392	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	519.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
57.87101	0.4
59.01374	1.3
61.98830	0.8
69.88368	1.3
69.88760	1.0
71.01386	0.6
78.95882	0.6
83.05009	0.5
90.91665	0.4
98.19897	0.6
111.08154	2.4
120.35649	0.4
125.09693	0.8
127.11213	0.6
139.02103	0.5
153.09116	0.7
153.12840	2.1
155.10771	1.1
165.12836	5.0
167.10745	1.0
169.12331	1.0
179.10867	0.5
179.14423	1.2
179.41331	0.5
181.12311	2.5
183.13887	7.8
195.14317	0.5
197.11816	2.6
199.13322	1.1
207.13951	1.9
209.11938	0.6
215.13000	0.5
227.12842	5.7
247.20668	2.9
265.21680	0.7
273.18549	1.9
281.21191	1.0
291.19641	21.5
292.19995	0.9
309.20700	100.0
310.21048	3.6
338.48245	0.5
439.32181	0.7
457.33047	0.9
483.30966	0.5
488.57498	0.5
501.32266	12.3
502.32758	1.1
519.32996	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	519.3171
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01882	1.7
57.03451	1.7
57.09816	0.3
58.00589	0.5
59.01380	21.0
61.98834	0.3
69.03438	0.4
69.55219	2.1
71.01381	15.0
71.01778	0.7
72.99296	1.0
73.02611	0.4
73.02948	4.5
76.16972	0.3
83.01380	4.0
85.02949	7.1
86.00109	0.6
87.00876	4.1
89.02441	2.7
94.54007	0.3
95.01388	1.2
97.02946	0.7
99.00872	2.0
101.01796	0.6
101.02446	10.7
111.00874	0.5
113.02459	5.1
115.00369	2.5
119.03493	0.6
125.09705	0.5
129.01930	0.6
133.01421	3.4
135.04456	0.4
141.09163	0.4
159.04517	0.5
161.04555	0.5
161.05933	0.3
173.06059	0.4
186.06834	1.1
187.07610	0.7
201.05579	0.4
211.07584	0.6
214.06404	2.5
215.07053	1.2
215.09125	0.6
223.13411	1.0
229.08688	1.0
230.09547	0.4
309.14990	0.4
309.24493	0.7
311.12738	0.7
313.27383	0.9
339.25397	4.7
357.26382	2.5
371.15005	2.2
403.17563	1.0
439.83774	0.3
501.29889	0.4
519.31720	100.0
520.32056	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	519.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95601	0.1
55.01877	0.3
57.03429	0.3
59.01378	100.0
60.01724	0.6
61.98833	0.6
69.03452	0.3
71.01381	5.6
72.99310	0.4
73.02950	1.6
75.00893	0.2
83.01388	0.7
85.02950	1.8
86.47366	0.1
87.00872	1.2
87.04536	0.3
89.02436	1.6
95.01427	0.5
96.96034	0.6
97.02943	0.2
99.00871	0.7
101.02438	3.3
101.06092	0.5
107.05059	0.4
111.00894	0.4
111.12415	0.1
112.01708	0.2
113.02450	2.4
115.00347	1.2
119.03506	0.7
122.70920	0.2
125.02482	0.4
129.01947	0.3
133.01443	1.3
134.25569	0.1
143.03503	0.5
151.04016	0.9
155.10805	0.3
159.02998	0.2
159.43825	0.2
161.04562	0.9
175.02513	0.2
175.04024	0.2
179.03459	0.1
179.05664	0.3
185.56369	0.1
187.07658	0.2
211.07542	0.2
225.05603	0.2
226.06458	0.1
229.08688	0.2
239.14638	0.2
243.06400	0.2
249.11353	0.2
253.12532	0.2
254.09529	0.3
255.13960	0.2
255.19667	0.3
265.12341	0.2
281.15683	0.2
282.92972	0.1
283.13354	0.4
286.12305	0.3
292.74026	0.2
297.20828	0.2
309.15176	0.2
311.12872	0.8
315.12787	0.2
315.16205	0.4
327.16196	0.6
341.14084	0.2
341.17767	0.2
351.21643	0.2
357.26599	0.5
359.18597	1.2
371.14871	1.2
381.22729	0.5
385.12805	0.3
399.23856	8.5
400.23984	0.7
403.17868	1.6
405.11847	0.2
417.24887	4.1
418.25668	0.3
459.25385	3.4
460.26352	0.2
475.25391	0.4
483.30054	0.2
501.30560	0.2
519.31891	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	519.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
57.03440	2.0
58.00599	1.0
59.01378	76.2
60.01723	0.8
60.99317	0.5
61.98824	2.6
69.03454	0.6
71.01380	30.3
71.56182	0.7
72.01762	0.5
72.02169	0.7
72.99301	2.1
73.02946	8.3
75.00875	0.8
78.95943	0.7
83.01398	3.9
83.04984	0.6
85.02948	11.7
85.06660	0.5
86.00137	0.7
87.00871	10.0
87.04533	0.5
89.02457	5.8
95.01392	1.6
95.05022	0.5
96.95994	2.6
97.06584	0.7
99.00881	3.2
101.02436	18.9
101.06066	1.2
104.05898	0.6
110.89618	0.6
111.00873	1.1
113.02442	11.1
115.00375	7.1
119.03510	2.3
125.02424	1.2
133.01422	5.5
134.03743	1.5
135.04523	19.1
137.02448	0.8
147.04552	0.6
149.04514	0.6
159.03139	0.7
159.04518	1.7
161.04594	2.0
164.61975	0.5
172.05336	0.7
173.06047	0.9
174.06874	0.6
179.03523	2.3
185.06015	0.7
186.06874	2.3
187.07657	1.6
191.14415	0.7
193.04903	0.7
196.05310	0.6
197.06036	0.7
199.07707	1.2
201.09242	0.6
211.07675	1.9
214.06355	2.7
215.07135	2.5
223.09897	0.8
223.13373	4.3
225.05573	0.7
225.09203	1.4
226.06302	0.7
227.07338	0.6
229.08708	2.3
230.09445	1.2
239.07147	0.7
243.06671	1.5
244.07301	0.6
253.09065	0.9
254.09503	2.3
255.10236	0.8
255.14055	1.3
263.05423	0.7
271.19214	1.0
283.13245	4.8
298.12134	1.3
309.14975	0.9
311.12833	3.7
327.15985	6.3
339.25403	1.0
341.13950	1.6
357.18997	0.9
357.22787	2.1
357.26572	2.3
359.14850	2.5
359.18759	4.8
360.19077	0.6
371.14902	8.2
372.15164	0.9
385.13037	1.7
399.23959	1.2
403.13843	1.2
403.17969	7.0
415.23441	1.0
419.55649	0.6
433.24323	5.0
457.32773	0.7
459.22217	1.1
459.29407	1.2
475.18604	1.3
475.25461	27.8
476.25986	2.6
477.23621	4.8
477.30136	1.0
519.31818	100.0
520.32092	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	519.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46185	0.3
59.01377	100.0
60.01731	0.5
61.98830	1.1
63.31364	0.4
69.54897	2.4
71.01382	4.1
73.02948	1.4
79.95731	0.7
85.02953	2.3
87.00880	1.1
87.04532	0.9
89.02483	0.6
95.01395	0.6
96.96008	21.0
98.19826	0.4
99.00887	0.6
101.02467	1.3
101.06100	0.5
113.02446	3.9
115.00395	0.9
119.03531	0.5
123.58781	0.4
124.04889	0.3
137.39690	0.3
161.04527	1.9
161.67789	0.4
178.21259	0.4
234.56982	0.4
254.09468	0.5
255.61163	0.4
283.13367	0.9
311.12869	0.4
327.16095	0.8
359.18842	0.5
371.14905	0.9
399.23822	17.7
400.23856	0.5
403.17981	0.8
417.24918	3.9
459.26001	5.5
488.47693	0.4
509.32477	0.4
519.31653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19681	0.3
57.03458	0.4
59.01379	100.0
60.01711	0.3
65.56870	0.2
69.38543	0.5
69.38952	1.1
71.01384	3.6
73.02948	1.4
83.01403	0.8
85.02936	1.2
86.26830	0.2
87.00900	0.7
87.04517	0.2
89.02441	1.5
95.01401	0.3
99.00899	0.5
101.02444	2.6
101.06076	0.5
113.02448	1.8
115.00391	0.6
119.03489	0.3
125.02488	0.3
133.01469	0.7
143.03502	0.7
151.03999	0.5
159.03043	0.2
161.04607	0.7
179.05643	0.3
255.19479	0.3
297.20712	0.3
309.15372	0.3
311.13162	0.3
315.16104	0.4
327.16324	0.3
371.14926	0.5
381.22876	0.6
399.23868	8.9
400.24277	0.6
403.17737	0.8
417.24930	5.1
417.29996	0.4
459.25674	4.0
460.26859	0.3
519.31909	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	519.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90348	0.4
52.91180	0.3
53.38943	0.5
57.03447	0.8
59.01379	100.0
60.01722	0.8
61.98822	2.0
71.01379	11.1
71.54942	0.4
72.99335	0.4
73.02949	2.0
78.67400	0.4
78.95895	0.4
83.01389	1.2
85.02956	3.1
87.00885	2.5
87.04552	0.4
89.02459	2.5
95.01384	0.8
96.96015	1.3
97.02947	0.8
99.00894	1.0
101.02441	4.3
113.02431	2.8
115.00359	3.0
119.03475	0.6
121.02966	1.1
125.02443	0.4
129.01936	0.5
133.01408	3.5
135.04521	4.3
141.09207	0.4
143.03587	0.5
159.04575	0.5
161.04524	1.1
168.37267	0.4
169.02419	0.3
171.10347	0.4
173.06155	0.4
186.06868	0.4
187.07639	0.8
197.06116	0.5
201.09207	0.4
203.07359	0.4
205.30510	0.4
214.06282	0.7
215.07120	1.1
215.09158	0.6
215.96434	0.4
223.13466	0.9
225.05673	1.0
225.09207	0.3
229.08702	0.6
229.14589	0.4
231.10162	0.4
243.06622	0.7
244.07469	0.4
253.08801	0.5
255.13788	0.5
280.10999	0.6
303.04968	0.5
306.07303	0.4
309.14944	1.0
311.12909	2.3
327.16092	1.4
339.25394	0.8
341.13907	1.4
341.17664	0.8
357.26297	2.0
359.14716	0.5
359.18704	0.7
371.15100	3.3
385.12622	2.3
399.23898	4.5
403.13947	1.3
403.17883	1.1
405.11920	0.4
415.23407	0.7
417.25125	2.9
423.07553	0.4
433.24258	2.0
441.56024	0.4
459.26248	2.4
475.25690	2.8
501.30283	0.4
519.31744	17.9
520.32184	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25688	0.6
59.01379	49.9
59.90099	0.6
61.98829	100.0
69.30477	4.7
69.30888	0.8
71.01382	12.7
73.02944	12.9
76.18353	0.6
83.01387	4.7
85.02979	2.4
87.00895	1.0
89.02436	3.6
93.95427	0.6
95.01399	0.8
96.96017	1.4
99.00903	0.9
101.02443	15.2
101.03105	1.1
113.02438	8.9
115.00445	0.7
119.03534	2.6
125.02464	0.6
131.03545	0.9
137.09756	2.5
143.03560	2.2
144.80124	0.7
149.04504	3.3
161.04558	7.6
189.12807	1.0
203.05675	1.1
221.06709	2.6
249.60516	0.7
306.08096	0.6
363.21909	0.8
411.20465	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1869
Annotation	(-)-Pinoresinol glucoside
Peak:m/z	Relative Intensity
50.18633	0.4
53.32634	0.4
55.01885	0.6
58.00598	0.4
59.01378	13.8
61.98828	6.6
69.03453	0.8
71.01374	8.8
73.02958	1.5
73.03960	0.4
83.01387	1.0
85.02959	3.1
87.00880	0.9
88.98818	0.9
89.02443	4.4
93.03473	1.0
95.01385	0.9
95.56551	0.5
96.95999	1.9
97.02938	0.5
99.00846	0.9
101.02453	4.2
108.02200	1.5
109.02988	0.9
113.02454	3.9
115.00395	0.5
117.02038	0.5
119.03503	1.8
121.02962	4.8
122.03740	3.0
133.01418	0.7
133.02910	0.9
133.49754	0.5
134.03726	0.6
135.04556	1.2
136.01659	66.5
137.02556	2.6
138.01968	1.3
139.02267	0.9
139.98120	0.5
143.03513	0.5
145.06516	0.7
149.06123	0.5
151.04002	96.6
152.04366	1.5
159.04535	0.9
160.05264	1.4
161.02409	0.9
161.04593	3.1
162.03221	1.1
163.04021	1.4
166.05107	1.3
175.04013	0.7
175.07697	1.6
176.04851	0.6
176.08238	0.5
177.01920	0.7
177.05659	0.8
179.03386	0.5
179.05675	0.5
187.04109	0.9
189.05475	1.1
228.04260	1.3
243.06731	1.5
265.14514	0.6
277.62720	0.5
311.12979	0.8
321.60757	0.6
339.12299	1.8
342.11029	5.4
353.86188	0.5
357.13406	100.0
358.13708	4.5
403.13910	0.6
415.23447	1.1
501.18369	0.7
519.12079	0.7
519.31451	2.0
548.29364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2858
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
55.01861	1.9
57.03440	2.4
58.00586	1.1
59.01381	44.8
61.98831	9.2
68.51396	0.6
68.89296	0.6
69.03455	0.7
69.35347	5.1
71.01382	22.6
72.99304	2.4
73.02957	4.4
73.03284	0.7
75.00874	4.7
83.01406	3.1
85.02946	10.1
87.00861	2.0
87.04520	3.0
89.02445	10.1
95.01382	1.8
96.96003	1.2
97.02952	1.0
97.06543	0.7
98.19918	1.0
99.00874	2.4
99.04517	9.0
101.02444	16.4
112.85100	0.6
113.02452	8.3
119.03497	4.1
121.03001	1.3
122.02467	1.3
125.02419	0.7
137.09700	0.8
153.89279	0.7
159.02919	0.8
161.04515	2.8
179.05614	0.9
185.00943	1.3
210.05696	0.6
211.82874	0.6
225.11285	2.2
239.06932	0.8
353.23276	5.9
354.23727	0.7
397.26849	0.6
455.26584	1.3
471.30328	0.8
515.28577	100.0
516.28760	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	63.7
61.98831	0.4
64.79480	0.3
69.17526	3.6
83.02911	0.4
90.97151	1.5
114.98830	0.5
118.96630	0.9
119.64589	0.4
123.21220	0.3
123.70226	0.3
132.98207	1.5
135.05995	0.3
139.95151	0.3
156.99951	1.1
157.03600	1.1
159.01434	0.4
174.99236	28.5
175.99527	0.4
201.02551	7.8
202.02670	0.4
217.00287	100.0
218.00639	1.0
218.86926	0.4
251.02435	0.3
292.96063	0.4
314.98746	0.8
334.36893	0.3
359.01447	13.8
360.01834	0.7
374.99197	64.7
375.99457	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	517.0986
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.94748	0.5
57.03432	0.8
59.01379	75.1
61.98829	5.6
63.02401	2.0
65.00336	1.1
66.91774	0.5
68.98442	0.6
69.03452	1.0
69.72754	0.5
71.01384	9.6
73.02950	3.1
83.01386	1.3
85.02959	2.3
89.02431	6.3
95.01405	0.6
96.96010	7.4
97.02950	0.6
98.95609	1.2
98.96410	0.5
99.00903	1.4
99.04533	0.8
101.02431	6.2
107.01399	1.8
108.02193	1.2
110.17657	0.5
113.02443	4.3
115.00357	0.7
116.92879	1.3
117.03484	3.3
119.03502	1.9
123.04549	0.8
125.02461	2.5
131.03522	0.8
133.01402	0.6
134.06091	0.6
138.39536	0.5
143.03479	0.9
148.05305	2.3
149.02390	1.3
149.04544	0.7
151.00401	1.3
159.04478	1.5
161.02405	0.9
161.04585	3.3
163.07690	1.0
179.03516	0.7
179.05635	0.9
197.06123	1.0
216.04288	0.7
225.05612	1.2
225.09270	0.8
227.03571	0.6
231.06566	0.7
233.06644	1.7
253.05049	0.8
268.03772	13.9
269.04538	100.0
270.04868	4.5
284.00128	0.6
293.08774	4.2
311.05701	3.3
355.12024	3.3
369.13263	1.0
397.22311	2.5
401.16177	2.7
415.22974	1.2
431.09821	8.4
443.31674	1.6
457.24249	1.6
473.10889	1.6
516.29456	1.1
517.10413	0.8
517.19604	1.3
517.30914	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	513.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43742	4.0
100.82348	0.6
107.14581	0.6
111.22581	0.7
147.68179	0.7
252.25414	0.7
344.11633	0.7
455.35281	62.0
456.35568	3.6
513.31134	100.0
514.31433	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	514.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62004	1.6
55.93583	1.3
59.01369	7.6
61.98823	12.8
71.01375	8.3
71.53702	1.6
83.28623	1.4
87.00871	2.0
89.02448	10.5
96.96009	1.6
101.02431	4.1
110.93397	1.5
113.02444	4.1
119.03481	4.2
121.33675	1.8
122.02467	6.3
124.16546	1.3
128.07188	2.5
128.90112	2.0
129.57219	1.4
143.03410	1.8
170.91096	3.4
171.88870	20.4
172.01694	13.2
172.06111	6.0
173.04353	2.4
179.05600	5.9
197.02231	1.8
203.43723	1.5
215.03270	5.1
254.90718	1.7
269.95523	1.5
341.10843	29.2
377.08542	100.0
378.08664	1.8
402.05789	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	514.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.2
61.85353	0.1
61.98829	100.0
69.17558	0.1
69.33614	0.9
76.71435	0.1
100.18899	0.1
132.61391	0.1
151.36362	0.1
413.83301	0.1
454.33685	0.2
514.32544	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85600	0.1
55.01883	0.3
57.03450	0.1
58.00616	0.2
59.01378	5.2
61.98831	0.1
65.41344	0.1
71.01381	4.1
71.25665	0.1
72.99323	0.2
73.02943	0.9
83.01386	0.4
83.05038	0.1
85.02946	0.9
85.18645	0.1
86.00142	0.1
87.00877	0.5
89.02441	3.0
89.45294	0.1
91.04033	0.2
95.01396	0.3
95.98599	0.1
97.02973	0.2
99.00882	0.2
99.04576	0.1
101.02443	4.0
102.02834	0.1
103.03998	0.1
111.00890	0.1
113.02453	1.8
115.03996	0.2
119.03504	0.9
125.02452	0.2
127.07675	0.3
129.01904	0.1
131.03494	0.1
133.05028	0.3
137.13026	0.1
143.03485	0.4
149.04558	0.1
153.39204	0.1
157.05084	0.2
161.04559	1.5
179.05666	0.5
205.19524	0.1
233.15491	0.1
233.22707	0.3
235.08218	1.1
253.09277	14.6
254.09641	0.4
259.20587	0.4
275.20142	0.4
277.21701	100.0
278.22046	4.5
355.66180	0.1
413.28845	0.1
421.60446	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92399	0.4
57.03455	0.9
58.00582	0.4
59.01378	7.6
60.99315	0.5
61.98822	2.5
69.03446	1.2
69.23651	3.8
71.01376	3.0
73.02941	0.5
80.96516	0.5
82.03253	0.5
82.96108	0.6
83.01375	0.5
85.02946	2.4
88.98805	2.2
89.02438	1.4
96.95996	2.4
97.02950	0.7
97.06570	0.4
99.04529	0.4
101.02437	1.5
113.02435	1.4
113.29916	0.4
119.03520	0.5
141.12221	0.4
141.66997	0.4
185.00856	1.0
202.13152	0.4
205.03537	0.5
247.20663	6.1
263.23740	1.1
289.21750	9.1
302.93732	0.4
307.22772	54.9
308.23187	3.0
321.24341	0.8
333.20557	0.6
351.21735	100.0
351.89737	0.4
352.22083	5.3
393.22836	4.9
437.40948	0.4
453.24890	0.9
513.18903	1.9
513.27087	6.1
514.27411	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.3
57.03445	0.1
57.42414	0.1
58.00604	0.2
59.01378	5.6
59.98523	0.1
61.75637	0.1
70.40716	0.2
71.01382	4.2
72.34586	0.1
72.99319	0.3
73.02952	1.0
75.00893	0.1
79.64963	0.1
83.01383	0.5
83.05037	0.2
85.02945	1.0
86.00130	0.1
87.00864	0.4
87.15135	0.0
89.02443	2.9
91.04013	0.2
95.01376	0.3
97.02952	0.2
98.19897	0.1
99.00876	0.2
101.02441	4.2
103.04044	0.1
107.42262	0.1
113.02444	1.9
115.03998	0.1
119.03490	0.9
125.02457	0.2
127.07641	0.2
130.54301	0.1
131.03566	0.1
133.05058	0.3
133.88115	0.1
143.03465	0.3
149.04578	0.1
157.05072	0.2
161.04562	1.4
170.50937	0.1
179.05585	0.4
205.19550	0.1
233.22748	0.3
235.08217	1.0
250.51195	0.1
253.09271	14.9
254.09671	0.3
259.20651	0.4
275.20117	0.3
277.21701	100.0
278.22043	4.8
278.25299	0.1
291.23163	0.1
303.24240	0.1
311.89313	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2703
Annotation	Cussovantoside B
Peak:m/z	Relative Intensity
50.77468	0.4
54.59337	0.4
57.03446	0.8
59.01102	0.6
59.01378	9.1
61.98830	2.0
65.06767	0.4
69.03443	1.5
69.51636	2.3
71.01378	4.4
73.02949	0.4
73.68314	0.4
75.59869	0.4
82.03224	0.4
85.02952	2.4
88.98850	0.5
89.02431	3.3
96.96018	2.2
97.02880	0.5
98.19897	0.8
99.00842	0.5
101.02433	2.8
113.02433	2.7
119.03486	0.9
133.01480	0.5
134.03676	0.5
135.04529	0.6
143.03456	1.0
161.04558	1.1
179.05540	1.2
185.00890	1.3
233.15463	0.4
247.20729	3.3
263.23685	0.9
271.20731	0.5
289.21713	3.9
307.22778	44.1
308.23068	1.5
333.20703	5.6
351.21738	100.0
352.22110	3.9
365.23465	0.9
375.21732	6.5
393.22842	7.2
394.23160	1.0
405.22946	0.8
423.23849	0.9
453.25037	1.9
498.63412	0.5
513.20154	0.7
513.26868	4.5
538.44647	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06985	0.2
59.01375	0.5
61.98824	0.4
71.01402	0.4
71.58028	0.2
78.95933	0.5
79.95729	2.7
96.96009	100.0
101.02458	0.3
104.61575	0.2
112.44590	0.2
116.32682	0.2
145.51358	0.2
167.47391	0.2
340.11548	0.2
419.18420	0.2
453.23685	0.4
513.13116	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
56.82535	0.4
57.03431	0.9
59.01110	0.6
59.01379	8.5
60.48466	0.4
61.98835	3.1
63.96238	0.5
69.03454	4.4
69.38577	2.5
69.38979	0.7
71.01378	9.2
72.99298	0.6
73.02931	1.3
75.00832	0.5
78.95879	0.4
78.98589	5.4
79.95736	7.7
80.96513	52.7
82.95410	0.5
83.01369	0.6
85.02937	4.5
87.00872	2.7
89.02439	1.8
94.98080	14.1
95.01369	0.8
96.96008	12.2
97.02957	2.0
97.06602	0.7
98.95567	1.2
99.00888	1.8
101.02446	4.7
106.98088	3.3
113.02438	1.6
115.00350	0.4
120.99634	0.8
122.97566	2.4
125.02439	2.9
127.03944	0.7
134.97585	3.9
136.99127	1.3
141.01857	0.5
146.97627	0.5
148.99139	4.8
151.11093	0.5
152.98631	5.4
161.04636	0.6
164.98616	11.8
167.15881	0.4
169.12321	5.4
185.00914	3.9
195.10492	0.4
206.99672	3.0
213.11281	1.4
225.00732	20.2
241.00316	0.7
242.06302	0.4
242.99805	0.9
287.15060	0.8
299.04346	2.1
312.10648	0.5
453.23514	0.6
495.15643	0.7
513.16400	100.0
514.16846	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	511.0548
Annotation	Vitexin 7-O-sulfate
Peak:m/z	Relative Intensity
51.52218	0.2
55.80148	0.2
57.03448	0.3
57.28148	0.2
59.01374	3.6
59.41224	0.2
61.98825	1.2
69.03445	0.2
70.30633	0.5
71.01381	3.7
72.99298	0.4
73.02950	1.0
74.02512	0.3
79.78422	0.2
79.95734	3.5
80.96509	3.7
83.01385	0.6
85.02959	1.1
87.00865	0.8
89.02438	0.6
95.95234	0.3
96.88208	0.2
96.96005	100.0
97.02944	0.4
99.00873	0.8
101.02431	1.8
113.02435	1.2
113.99575	1.1
115.00396	0.6
117.03444	0.6
119.03493	0.2
120.45086	0.3
120.99654	0.4
122.97578	0.4
125.02501	0.3
129.10349	0.5
133.01416	0.4
133.06561	0.4
135.04459	0.4
136.01659	0.5
137.02443	0.7
138.97069	9.4
143.03479	0.6
145.70450	0.2
149.04593	0.3
150.97034	1.0
152.98468	0.3
161.04553	0.3
164.98601	0.7
168.98131	0.8
180.98108	1.0
192.09001	0.5
198.99086	0.4
205.09805	0.7
222.99181	1.7
224.08179	0.4
225.16025	0.3
241.00211	47.6
242.00568	0.7
242.18747	0.6
266.11417	3.2
269.04529	13.9
270.04874	0.6
279.31348	0.3
281.04715	0.2
283.06165	0.6
285.03854	0.8
286.04263	0.4
295.10953	0.3
296.11566	0.3
311.05511	1.4
341.06851	1.2
414.23566	0.3
431.09760	0.6
431.26868	0.6
436.18753	0.4
448.09857	0.6
451.21799	0.8
451.28119	0.3
457.20828	1.2
460.36047	0.3
475.25632	8.0
476.25778	0.3
480.17691	0.9
510.29437	0.4
511.05463	53.8
512.05786	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
59.01379	5.0
61.98821	2.7
63.02415	0.6
69.03446	1.1
69.43671	2.0
69.44088	0.5
71.01374	4.1
72.99304	0.5
73.02948	1.3
75.00893	0.5
79.95722	3.5
80.96509	2.2
85.02958	0.9
87.00886	0.8
88.98802	0.6
89.02451	0.8
94.98108	0.6
96.96009	100.0
97.02947	0.8
98.19919	0.8
99.00918	0.8
101.02435	2.4
107.01393	0.5
109.06599	1.1
113.02439	0.8
115.00361	0.5
117.03497	1.8
120.99626	1.0
122.97594	1.0
125.05974	0.4
127.07608	0.4
135.08104	0.3
138.97072	1.2
141.01886	0.5
149.02507	0.4
150.97023	0.8
152.98613	5.8
152.99725	0.4
156.86835	0.4
159.04469	0.7
161.02371	0.4
161.04500	0.5
163.11336	0.8
180.98137	1.3
181.12392	0.8
205.09055	0.3
207.10275	3.1
225.11356	2.6
241.00223	87.8
242.00517	1.8
243.12378	0.6
245.15425	0.4
253.09314	0.7
269.04532	50.0
270.04898	1.8
284.02966	0.4
285.03833	0.6
389.86636	0.4
421.85010	0.3
441.70941	0.4
448.09677	0.5
461.19943	0.5
479.20859	0.4
510.29770	1.6
511.05484	40.6
511.23444	1.6
511.29410	1.3
512.05682	2.1
530.49988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74138	0.2
59.01372	0.9
61.98830	100.0
67.61591	0.2
71.01383	0.6
71.54747	0.3
73.01852	0.2
79.95756	0.2
80.96523	0.6
89.02475	0.2
101.02440	0.3
113.02431	0.2
116.92881	0.2
131.03543	0.2
134.04185	0.2
135.99422	0.2
158.90887	0.2
197.39330	0.2
316.13843	0.2
407.45627	0.2
435.98441	0.2
448.39288	0.2
449.23248	0.3
450.23203	2.0
481.38257	0.2
511.18661	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63030	0.2
57.08212	0.2
59.01374	0.3
61.98829	100.0
71.01410	0.3
71.32029	0.3
75.28329	0.2
92.04834	0.2
119.51179	0.2
132.59134	0.2
140.72421	0.2
226.60823	0.2
252.10126	0.2
450.23080	0.3
504.97128	0.2
525.11786	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
61.98829	100.0
69.22586	0.2
69.34373	0.7
69.34805	0.4
71.01395	0.7
72.01749	0.1
73.02945	0.1
78.89630	0.1
80.96510	0.3
85.02982	0.3
89.02447	0.3
101.02460	0.3
102.02758	0.2
103.02862	0.1
136.72095	0.1
146.67720	0.1
206.57292	0.1
244.11513	0.2
448.22861	0.2
449.23145	0.2
450.23062	1.6
450.28107	0.2
511.18854	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.5
60.10835	0.2
61.98829	100.0
69.43993	0.6
69.44402	0.4
71.01406	0.2
73.74725	0.2
89.02479	0.2
96.96027	0.2
98.19756	0.1
100.38827	0.1
105.66952	0.2
108.53339	0.2
112.97772	0.2
118.62490	0.2
120.99639	0.2
204.35748	0.2
372.80344	0.2
386.79962	0.2
398.50146	0.2
428.39929	0.2
510.25391	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48916	0.2
59.01370	0.4
61.64153	0.2
61.98829	100.0
70.14730	0.8
71.03265	0.2
81.55458	0.2
89.27360	0.2
93.40022	0.2
94.44674	0.2
96.96045	0.3
97.21569	0.2
98.19993	0.3
104.14433	0.2
116.44729	0.2
164.31198	0.2
168.84006	0.2
246.40419	0.2
254.10632	0.2
261.18872	0.2
295.84387	0.2
333.10223	0.2
450.24893	0.4
478.53854	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98504	0.7
59.01379	100.0
60.01702	0.9
61.98829	3.5
69.22580	5.1
69.22993	1.5
71.01379	9.2
73.02947	3.6
74.19453	0.7
76.48483	0.6
80.47314	0.6
80.96533	0.8
85.02972	2.4
87.00873	0.9
89.02451	4.7
96.96037	3.1
101.02454	6.8
113.02438	3.9
115.00332	0.9
119.03543	1.1
123.08176	3.3
137.09747	1.3
149.04593	1.0
155.10785	2.7
161.04567	2.3
163.11333	3.0
180.51289	0.7
185.11929	0.7
189.12845	5.4
195.10333	1.1
199.09790	1.0
207.13890	7.4
225.14948	1.8
230.74557	0.8
299.04584	1.6
322.10611	0.8
347.12738	2.2
347.17178	2.8
387.20483	2.9
429.21210	8.4
449.24301	1.1
461.18378	1.2
487.96582	1.0
509.12469	1.5
509.23474	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55642	0.4
61.98831	7.4
65.43803	0.4
66.84729	0.4
68.51009	0.4
78.29614	0.5
98.20658	1.0
101.59605	0.4
107.01402	0.7
133.02916	2.5
149.02373	0.8
151.00343	2.7
152.20587	0.4
175.03963	0.6
199.03943	0.5
211.04088	0.5
213.05728	0.5
217.05135	0.9
217.68617	0.5
218.10754	0.4
227.03593	0.7
229.26591	0.6
239.03648	0.5
256.03714	2.6
284.03250	46.2
285.04025	96.3
286.04456	3.9
327.05060	0.6
447.09286	100.0
448.09613	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	509.143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.6
61.98828	1.7
69.57874	2.2
69.58283	3.6
71.01373	6.6
85.02950	1.9
87.06254	1.0
89.02450	7.1
96.96001	2.1
99.00867	2.2
101.02436	4.1
110.25333	1.0
113.02457	1.1
119.03546	1.2
125.02409	3.4
131.03523	2.1
136.05322	1.9
149.04515	2.0
161.04579	1.0
164.04787	55.3
165.05544	3.0
179.07133	100.0
180.07498	1.8
191.05579	2.3
213.11227	1.1
217.57077	0.9
233.06656	3.1
293.08786	28.5
329.06390	6.1
347.14755	3.1
449.19873	1.9
475.66406	1.3
484.73596	1.2
509.14267	15.6
509.21637	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1694
Annotation	Marikarin
Peak:m/z	Relative Intensity
51.20493	0.4
55.95728	0.4
59.01373	3.9
61.98823	2.9
62.31129	0.4
63.96236	0.9
69.03445	0.7
71.01381	7.6
72.27897	0.4
72.50328	0.4
72.99301	0.4
73.02930	1.7
76.91331	0.4
77.36779	0.4
78.95903	17.2
78.98591	4.8
79.95731	7.2
80.96515	54.3
81.03464	0.6
83.01379	0.7
85.02956	2.7
87.00869	1.8
89.02456	0.5
94.98087	13.8
95.01376	0.6
96.03086	0.4
96.96014	2.0
96.96946	1.2
97.02943	1.4
99.00895	0.6
101.02454	2.6
106.98067	2.1
110.15026	0.5
110.98482	0.6
113.02464	0.7
115.00353	0.6
121.02914	1.2
122.97585	3.2
125.02446	3.4
127.03992	0.7
130.59184	0.5
133.01413	0.4
134.97585	3.8
136.99120	1.4
148.99139	4.8
152.98531	4.1
152.99721	2.6
164.98610	9.5
171.00635	3.2
171.10181	0.6
190.51442	0.4
193.12326	0.6
206.99719	2.0
209.11887	2.1
225.00710	13.7
225.15067	0.6
263.60269	0.5
299.04370	3.1
341.03448	1.1
341.23248	1.3
496.30035	0.5
508.26770	2.4
509.16959	100.0
509.26370	10.4
510.17261	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	508.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09431	0.4
56.12096	0.4
57.03426	0.5
59.01377	1.0
62.96417	0.6
69.33610	0.3
69.40200	2.0
69.40616	1.1
78.95905	100.0
88.55115	0.4
96.96970	8.2
98.19920	0.8
105.71514	0.4
113.09715	0.5
129.09305	0.6
138.05565	0.6
139.11322	1.2
140.01161	1.4
148.10109	0.5
150.49989	0.5
152.99583	18.2
165.12892	0.7
171.00642	20.2
171.10284	3.7
181.12434	0.6
193.12355	1.2
196.03827	1.0
197.11821	1.1
211.13289	2.5
214.04893	1.8
240.10274	0.5
293.21204	4.4
311.22275	22.1
312.22876	0.9
340.30261	0.4
356.35516	0.4
359.76224	0.4
434.23080	1.6
457.02420	0.6
479.55609	0.4
508.26782	89.7
509.26926	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	509.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47896	1.2
59.01383	2.5
61.98835	2.9
66.37350	1.3
69.70451	6.2
71.01376	3.0
75.00861	1.9
80.96460	1.6
88.99512	1.4
96.96009	4.6
97.02940	2.3
105.03799	1.4
109.02945	45.2
123.04470	1.9
133.02963	1.7
135.04518	100.0
136.04857	1.8
143.05017	4.9
148.05363	2.3
149.04901	3.1
149.06067	47.1
151.04028	1.6
161.02481	2.0
161.06084	20.8
163.07648	2.5
165.05542	4.6
170.88269	1.6
171.04492	9.7
173.06029	3.5
174.03160	8.3
177.05569	9.9
179.03537	9.6
188.04825	3.5
189.05557	85.8
191.03502	2.0
191.07178	2.8
197.77960	1.6
203.08235	4.1
207.06612	75.7
219.06563	4.0
221.04567	11.6
231.06635	9.6
233.04675	2.3
235.06088	8.8
239.05690	6.9
249.07690	4.1
251.05640	6.9
283.93240	1.7
297.09796	3.4
311.07895	13.7
311.11224	3.5
340.23126	1.5
369.11826	10.3
383.09833	5.8
393.12189	1.9
397.11484	3.9
401.10889	11.8
411.12927	4.0
413.10883	76.1
414.11127	3.4
415.12369	3.6
443.11890	13.6
455.11877	5.4
473.12933	52.3
474.13138	2.6
509.10434	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50256	0.2
55.01875	2.6
57.03444	2.6
58.00590	0.7
59.01377	24.5
59.32098	0.2
61.98826	0.5
67.50822	0.2
69.03458	0.5
69.17766	2.2
69.56992	0.2
71.01379	39.7
72.01749	0.2
72.99306	1.5
73.02943	10.6
75.00864	0.6
78.95908	0.4
83.01379	4.6
85.02948	18.2
86.00130	0.3
87.00879	1.7
89.02441	10.5
93.69146	0.2
95.01381	3.3
96.96004	1.9
97.02937	0.8
99.00870	4.4
101.02437	23.9
102.02785	0.3
111.00882	1.8
113.02443	14.9
115.00359	0.6
118.72285	0.2
119.03497	3.6
125.02452	0.7
129.01913	0.7
131.03473	0.4
133.01440	0.5
143.03467	1.5
143.10872	0.4
159.02995	2.4
161.04549	11.7
165.45728	0.2
173.06056	0.3
179.05609	0.9
180.21396	0.2
185.11980	0.2
194.91545	0.2
197.15401	0.4
200.83032	0.2
201.05582	0.4
202.06303	0.2
203.07050	0.2
211.13406	0.6
223.20857	0.3
229.08662	0.8
230.09494	0.8
248.10298	0.3
299.25882	0.9
345.26401	0.3
345.30066	5.4
346.30621	0.4
391.16974	0.6
410.15738	0.6
463.25601	0.5
507.35358	100.0
508.35712	7.3
521.13660	0.2
528.47778	0.2
534.13892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
57.07542	0.5
59.01369	1.1
69.75655	2.0
69.76069	0.9
71.05006	0.7
78.95900	50.4
83.05031	0.9
90.25348	0.5
93.14883	0.5
96.96945	1.7
97.02950	1.1
97.06591	0.6
99.08168	1.2
113.09718	1.8
121.10223	1.0
122.00118	1.3
125.09721	1.3
129.09213	1.0
139.11258	3.6
140.01184	8.1
152.99608	6.5
165.12828	1.6
167.10753	0.6
167.14392	0.6
171.00664	4.1
171.10277	11.1
181.12274	1.0
183.13872	0.6
185.11798	0.8
193.12346	4.1
196.03780	13.1
197.11763	2.3
202.02336	0.5
209.11790	1.3
211.13383	6.1
214.04836	4.1
231.21117	0.6
249.22176	1.1
252.94368	0.5
293.21204	13.7
311.22260	50.3
312.22519	2.1
315.47226	0.5
316.10901	0.7
326.66034	0.5
328.10266	0.6
380.90344	0.5
508.26746	100.0
509.27002	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	507.2808
Annotation	glas#20
Peak:m/z	Relative Intensity
50.21367	0.2
55.01882	0.6
57.03431	1.0
58.00604	0.3
59.01380	16.7
59.25936	0.2
61.98830	1.2
69.03449	0.4
71.01381	8.2
71.05016	0.3
71.38844	0.3
72.99296	0.8
73.02942	1.7
82.75368	0.2
82.75939	0.2
83.01386	0.9
83.05016	0.9
84.02136	0.3
85.02940	2.6
87.00881	0.6
88.98839	0.3
89.02446	5.2
95.01378	0.6
96.95988	1.2
99.00860	0.7
99.08189	0.3
101.02446	4.6
103.68122	0.2
111.08128	0.3
113.02457	2.6
113.09703	0.4
119.03510	1.7
128.39508	0.2
131.03552	0.3
133.01404	0.3
139.11270	0.5
141.09210	0.5
149.09694	0.7
151.11264	0.5
163.11301	0.4
167.10750	0.4
167.14447	0.5
178.09926	0.5
181.12386	1.5
207.32114	0.2
227.12936	0.3
230.88942	0.2
245.19199	0.2
250.87619	0.2
263.20145	3.9
305.78610	0.3
309.20615	0.6
327.21808	4.4
345.22791	7.2
384.03976	0.2
408.86343	0.2
447.26160	0.5
465.27060	1.0
489.26804	0.8
507.28058	100.0
508.28372	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
57.03439	1.4
58.00591	0.4
59.01377	8.2
61.98830	1.4
69.03451	0.6
71.01380	4.9
71.05003	0.7
71.55521	0.3
72.99315	0.4
73.02943	1.9
73.99225	0.3
83.01374	0.6
83.05029	1.6
84.02150	0.8
84.95117	1.3
85.02947	3.4
87.00877	0.6
89.02433	1.4
95.01411	0.6
96.96008	2.1
99.00884	0.4
99.08128	1.0
101.02430	2.7
101.06059	0.3
111.08138	1.4
113.02439	2.0
113.09715	1.1
121.02909	0.6
123.04517	0.3
123.08170	2.1
125.09684	0.3
129.09207	1.0
133.01379	0.4
137.02420	0.6
137.09727	0.5
138.99481	0.3
139.11320	1.7
141.09215	4.3
141.12811	0.4
151.11285	1.1
153.12840	0.7
155.10789	1.1
156.11145	0.4
163.11282	0.8
169.12373	0.5
179.10765	0.3
181.12321	6.6
187.09711	2.0
197.89653	0.3
199.09612	0.5
199.13379	0.7
200.10117	0.5
209.11960	0.5
221.11913	0.3
226.69220	0.3
227.12880	4.2
229.14462	1.1
245.13921	7.3
263.20206	1.4
281.21146	0.6
309.20651	1.2
311.21985	0.3
327.15735	0.4
327.21768	3.1
329.23303	9.5
345.22809	9.0
407.19162	2.1
447.25748	0.4
461.22748	0.3
463.25406	0.5
465.27060	0.5
472.87372	0.3
489.27274	0.7
507.28040	100.0
508.28436	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	507.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14104	0.5
55.43565	0.4
59.01363	1.2
61.98824	1.6
70.13979	2.0
70.60599	0.6
78.95905	20.5
96.96946	2.2
150.98032	0.7
152.99588	33.6
171.00645	1.9
200.99500	0.5
227.03262	4.0
245.04254	1.6
279.23279	100.0
280.23660	4.7
282.25186	1.0
344.85590	0.6
415.22397	0.6
507.27255	70.3
508.27722	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	507.2807
Annotation	Foliasalacioside H
Peak:m/z	Relative Intensity
54.37813	0.3
55.01886	0.7
57.03436	0.7
58.00597	0.9
59.01379	42.8
59.24301	0.3
61.98823	0.7
66.16639	0.2
69.17222	2.6
71.01383	13.1
72.99323	0.8
73.02952	1.6
83.01392	1.3
85.02949	3.9
87.00892	1.0
88.25862	0.3
89.02445	10.7
93.36877	0.3
95.01406	1.1
96.96008	1.5
98.19879	0.6
99.00880	0.7
100.67087	0.3
101.02444	9.2
113.02440	4.5
119.03478	3.7
123.08175	0.3
129.09215	0.5
146.15271	0.3
159.03096	0.3
161.04594	0.9
165.12820	0.6
167.10713	0.6
179.05594	0.8
192.54320	0.3
260.57700	0.3
265.21783	0.3
267.19669	0.3
299.05518	0.3
327.21680	0.5
345.16968	0.3
345.22626	0.5
377.97974	0.3
429.24902	0.5
447.26123	1.3
465.26920	0.5
489.27042	3.6
507.28058	100.0
508.28372	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	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41456	0.4
56.94377	0.4
57.03440	1.7
59.01379	100.0
60.01714	0.6
61.98836	2.0
66.33923	0.4
70.74152	1.0
71.01385	7.1
72.67802	0.4
73.02941	5.1
77.83673	0.4
83.01402	1.4
85.02935	1.2
88.98827	0.5
89.02430	2.3
92.09221	0.4
95.01405	0.5
96.96012	13.8
97.02975	0.5
100.72198	0.4
101.02444	5.8
113.02448	5.0
119.03517	1.2
121.02984	1.1
126.90431	0.5
131.03531	0.6
131.07158	1.3
133.01526	0.6
134.03735	0.6
134.07375	0.7
134.94089	0.5
135.04538	1.8
136.01709	0.5
138.02002	1.2
139.02310	0.7
139.65404	0.4
143.03539	1.2
149.04572	1.0
149.09724	7.3
153.09196	3.1
161.04539	2.0
167.10776	13.4
179.05635	0.8
223.05966	0.5
225.14983	3.4
243.16022	2.8
257.05383	0.9
267.06769	0.5
297.11429	1.1
300.10242	0.5
307.57974	0.5
315.12305	2.8
375.06290	0.5
387.20267	9.3
405.21271	2.6
447.22369	18.0
448.23193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09686	5.5
51.04551	5.2
58.46317	5.1
59.01108	7.2
59.01381	98.2
61.51818	4.7
61.98812	8.4
68.97549	5.3
69.30978	7.9
69.31387	35.5
71.01382	62.3
72.99281	5.6
73.02946	25.8
78.95891	5.3
85.02956	13.6
89.01929	8.9
89.02441	69.4
96.96008	25.8
99.00882	66.5
100.06369	4.6
101.01809	4.5
101.02431	28.6
103.89801	4.5
113.02457	24.4
115.00330	5.7
119.03472	8.6
119.04982	11.7
123.04412	5.2
130.75410	4.7
131.03491	12.0
133.01410	5.2
149.04556	41.5
161.04556	15.3
163.04010	5.6
191.05588	30.2
211.13387	21.2
229.08684	7.0
230.09328	5.5
233.06554	5.4
382.88757	5.7
390.39096	5.0
391.16830	7.4
447.22336	100.0
463.25464	10.9
477.31180	5.6
507.31256	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	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41456	0.4
56.94377	0.4
57.03440	1.7
59.01379	100.0
60.01714	0.6
61.98836	2.0
66.33923	0.4
70.74152	1.0
71.01385	7.1
72.67802	0.4
73.02941	5.1
77.83673	0.4
83.01402	1.4
85.02935	1.2
88.98827	0.5
89.02430	2.3
92.09221	0.4
95.01405	0.5
96.96012	13.8
97.02975	0.5
100.72198	0.4
101.02444	5.8
113.02448	5.0
119.03517	1.2
121.02984	1.1
126.90431	0.5
131.03531	0.6
131.07158	1.3
133.01526	0.6
134.03735	0.6
134.07375	0.7
134.94089	0.5
135.04538	1.8
136.01709	0.5
138.02002	1.2
139.02310	0.7
139.65404	0.4
143.03539	1.2
149.04572	1.0
149.09724	7.3
153.09196	3.1
161.04539	2.0
167.10776	13.4
179.05635	0.8
223.05966	0.5
225.14983	3.4
243.16022	2.8
257.05383	0.9
267.06769	0.5
297.11429	1.1
300.10242	0.5
307.57974	0.5
315.12305	2.8
375.06290	0.5
387.20267	9.3
405.21271	2.6
447.22369	18.0
448.23193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48018	0.5
57.03449	1.9
59.01376	2.4
61.98824	1.9
62.21934	0.5
62.96416	0.9
63.14289	0.4
64.47944	0.5
69.03465	0.9
70.14121	0.4
70.83780	1.1
71.01381	1.7
78.95907	86.1
80.02667	0.9
81.03459	1.3
83.01373	3.5
83.05035	1.9
91.47926	0.5
95.05031	0.8
96.96049	0.5
96.96960	4.8
97.02957	0.7
97.06606	2.4
98.03759	0.6
107.05051	0.5
111.08173	0.5
113.09715	0.9
113.53490	0.4
115.00311	0.6
122.00153	1.6
123.04504	0.8
123.08173	1.2
125.06059	0.8
125.09706	3.7
127.87078	0.6
129.09279	0.6
139.11275	2.2
140.01195	9.2
141.09300	0.7
144.87306	3.9
146.87070	1.2
151.11310	3.0
152.99606	13.1
153.12828	0.7
159.85928	0.7
163.11278	4.3
164.83586	1.5
165.12839	6.2
167.10770	2.6
171.00656	10.7
179.10814	1.1
181.12308	3.5
183.14041	0.7
191.10774	3.2
193.15999	1.6
196.03806	14.9
197.11700	0.6
207.10228	0.8
209.11830	27.8
210.12146	0.9
211.13432	1.3
214.04843	4.8
225.11469	0.6
247.20671	4.5
263.20053	0.9
265.21765	1.5
273.18637	1.4
281.21332	1.2
291.19678	23.1
292.19958	0.9
309.20706	24.5
310.21121	1.6
334.20053	0.5
432.21573	1.0
506.25223	100.0
507.25693	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	506.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80743	0.8
57.03420	0.8
58.00592	1.2
59.01381	25.6
59.22691	0.7
61.98838	1.7
64.35763	1.0
69.16145	0.9
71.01002	1.8
71.01381	24.7
72.00908	13.5
72.99310	1.4
75.72111	0.8
85.02960	3.3
86.21962	0.8
87.00871	1.3
89.02443	36.5
95.01411	1.0
96.96016	2.2
101.02442	13.1
103.05566	1.0
113.02444	10.9
119.03481	9.6
119.04910	0.8
131.03487	2.0
131.04572	1.1
132.03102	1.0
143.03514	3.6
147.04521	43.3
148.04958	1.0
149.04517	0.9
153.62238	0.9
161.04550	4.1
164.07162	84.2
165.07579	1.5
179.05606	19.6
225.39073	0.9
341.10858	100.0
342.11386	3.9
366.99097	1.0
435.82504	0.9
526.89050	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11156	0.4
59.01377	6.1
61.98828	5.2
62.66409	0.4
69.03461	1.2
70.25783	0.4
71.01386	3.5
71.54456	0.4
71.54816	0.5
73.02953	3.1
78.03481	2.2
85.02951	2.4
87.00885	0.8
89.02456	1.6
95.01387	0.9
96.95385	0.6
96.96008	9.9
97.02950	12.5
99.00882	0.9
101.02453	1.8
104.03552	0.6
109.74006	0.4
113.02466	1.4
114.38002	0.5
115.00352	2.4
122.02480	100.0
123.00895	1.4
123.02813	1.4
123.08178	1.6
124.23480	0.4
133.01405	1.2
135.04541	1.2
135.08144	0.8
141.01947	0.6
141.09225	13.8
149.04585	0.6
153.09180	5.7
159.02982	0.4
161.04623	0.6
166.99829	0.5
167.07080	0.5
171.10266	14.2
171.11694	0.8
185.08206	1.8
186.44971	0.4
197.08197	2.4
199.09604	0.5
207.02992	0.6
215.09230	38.4
216.09549	1.1
256.03439	0.7
260.12900	1.7
278.71661	0.4
290.03073	11.7
301.14459	1.3
302.14807	2.1
328.16400	1.2
346.17072	0.5
390.16589	0.6
446.27704	0.8
466.71121	0.4
489.28149	0.5
505.26791	3.1
506.12946	3.4
506.29315	4.2
507.13080	0.5
507.28314	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	505.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32119	1.8
52.34587	2.3
57.03402	2.5
59.01374	15.6
59.22441	1.9
61.98792	4.0
68.99830	2.1
71.01382	11.6
71.55078	2.3
75.00885	12.0
78.01243	2.1
78.95887	5.2
85.02965	16.3
86.79171	2.1
87.00864	4.1
89.02393	4.4
95.01344	5.7
99.00838	7.0
113.02447	19.3
117.01881	3.2
153.05695	1.9
175.02432	3.0
249.06026	12.3
255.23273	85.6
256.23453	2.7
267.07147	3.5
275.20102	4.7
279.23245	12.8
280.77039	2.2
293.21072	9.3
440.41696	2.2
445.33380	2.9
447.24850	3.4
483.53677	2.6
487.34647	2.2
505.29843	100.0
506.30109	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	505.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69396	0.5
55.01867	0.9
57.03443	2.2
58.00588	1.2
59.01380	37.9
61.98815	1.8
69.03474	0.7
71.01380	19.9
71.05015	1.0
71.24309	0.6
72.99298	1.7
73.02945	4.0
79.95753	0.9
81.03476	0.8
83.01382	1.1
85.02948	4.5
87.00860	1.6
88.98814	2.1
89.02441	15.0
93.03459	0.5
95.01395	1.7
96.96011	19.9
97.02942	1.0
97.06587	0.9
98.19859	0.5
99.00884	3.9
99.04498	1.0
101.02445	10.8
104.75611	0.5
109.06590	1.0
111.08141	0.7
113.02448	6.5
115.00363	5.2
117.48392	0.5
119.03503	4.9
121.06597	0.9
122.02386	0.5
123.04516	0.5
123.08156	1.7
131.03520	1.0
133.01437	4.9
137.02414	0.9
137.09711	1.3
143.03503	1.1
144.04648	0.5
149.04582	1.7
161.04578	2.8
161.05710	0.5
165.73961	0.5
171.10240	0.7
175.02548	0.5
177.12849	1.0
179.05614	1.6
179.10757	2.0
181.12440	0.4
185.00922	0.5
191.05565	1.7
195.14030	0.6
196.05135	0.5
201.05632	0.5
203.05673	0.7
205.15923	1.1
208.79126	0.5
209.11819	1.4
215.07085	0.6
225.05540	0.5
225.09264	0.6
227.07051	0.5
227.10765	0.7
228.07893	1.2
229.08722	1.7
229.12282	1.4
243.10168	1.1
245.19052	1.8
254.09534	1.1
255.02878	1.6
255.10139	0.5
257.11807	1.8
263.20206	0.9
271.02472	2.4
272.10495	1.7
273.15060	1.4
283.10202	0.5
283.13043	2.2
285.03964	0.7
286.11847	0.9
289.18118	0.6
298.12115	0.8
300.02698	3.9
301.03470	1.7
301.14383	13.6
307.19131	3.1
311.13074	0.9
325.20258	4.3
327.12601	0.9
327.16049	7.3
329.13809	1.5
343.12671	1.5
343.21228	1.2
345.16989	7.7
371.14865	1.6
389.16080	4.5
463.21863	0.9
487.24792	0.9
505.11356	2.8
505.26532	100.0
506.10376	0.5
506.26682	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	505.2655
Annotation	Foliasalacioside G
Peak:m/z	Relative Intensity
57.03428	0.7
58.00586	1.2
59.01380	51.9
60.44967	0.4
61.98821	1.4
69.03470	0.5
69.47491	2.2
70.69841	0.4
71.01381	17.6
71.01778	1.0
72.99294	1.2
73.02940	1.6
77.57209	0.4
77.81696	0.4
83.01376	1.0
85.02950	3.7
85.95930	0.4
87.00866	1.5
88.98795	0.4
89.02444	14.6
95.01387	0.9
96.96000	1.9
97.02937	0.6
97.06567	0.6
97.25742	0.5
99.00869	0.5
101.02443	11.3
109.56931	0.4
110.82215	0.4
111.18652	0.4
112.98537	0.9
113.02449	5.7
115.00365	2.2
119.03497	5.5
131.03539	0.6
133.01442	2.1
139.11218	0.5
143.03474	0.8
143.54260	0.4
161.04593	0.9
171.10243	0.5
175.04048	0.4
179.05627	1.2
179.10701	0.5
199.07745	0.5
201.09315	0.5
201.11267	1.0
207.24181	0.4
225.09247	0.5
225.15077	0.9
228.08014	0.7
229.08806	0.5
229.12471	0.6
244.11076	0.6
245.19159	0.5
247.17096	0.6
255.10193	0.4
255.13890	0.9
257.12000	0.6
272.10458	0.6
272.68109	0.5
273.15054	0.9
283.13303	1.5
298.12048	1.0
301.14542	3.1
309.15002	0.5
311.13101	0.6
325.20142	1.4
327.12476	0.7
327.15988	6.1
329.13931	1.1
343.15598	0.5
343.21356	0.9
345.13339	0.6
345.17081	4.5
371.15024	2.4
371.24304	1.3
389.16147	4.5
389.25491	1.3
390.16245	0.5
467.25061	1.6
487.25516	3.1
501.37561	0.5
505.26566	100.0
506.26718	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	505.2574
Annotation	Amoritin
Peak:m/z	Relative Intensity
51.51805	0.6
57.78556	0.7
59.01378	2.8
67.10905	0.8
69.39046	0.7
69.86294	2.6
71.01383	0.9
78.95901	26.6
92.07188	0.7
96.96011	0.8
96.96961	2.4
98.20532	1.4
122.17474	0.6
152.99585	38.7
171.00601	2.3
175.51405	0.8
196.65115	0.7
200.34554	0.7
211.13403	2.6
213.11441	0.8
227.03294	5.7
245.04298	2.8
257.33344	0.6
259.20612	1.0
277.21719	100.0
278.21954	4.0
280.23584	1.7
313.79019	0.7
395.34070	0.8
416.50891	0.8
505.25711	78.7
506.25919	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	505.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18803	0.6
52.31470	0.7
57.03432	1.8
59.01376	32.5
61.98826	2.6
63.76163	0.8
69.03455	1.5
71.01381	21.9
71.05040	0.9
72.99313	1.4
73.02961	3.6
79.95745	0.6
83.01401	1.5
83.05009	1.1
84.89136	0.6
85.02953	5.3
87.00867	3.9
88.09581	0.7
88.98807	2.2
89.02429	6.4
95.01353	0.7
96.95996	2.6
97.02944	1.7
97.06596	2.1
99.00862	0.9
101.02442	8.5
103.75473	0.7
113.02437	4.9
115.00378	12.3
119.03481	2.1
121.02948	1.1
123.08150	1.2
123.41473	0.8
125.09723	2.0
125.20823	0.7
133.01434	7.1
135.04529	0.7
137.09747	1.1
161.04509	1.3
165.12848	1.1
171.10289	1.6
187.07683	0.8
195.10260	1.0
197.06105	0.8
199.09644	1.1
201.09315	1.7
201.11292	14.8
204.07910	1.1
211.07652	1.7
211.13295	0.9
215.07149	0.9
225.09227	2.7
226.10162	0.7
227.10837	1.1
228.07927	1.4
229.08699	1.8
229.12325	1.2
239.07213	0.8
239.10808	1.6
239.16466	0.8
242.09576	1.0
243.10191	1.0
244.11089	1.4
253.08609	0.8
254.09372	3.1
255.10220	1.9
255.13919	2.3
257.08197	1.8
257.11743	1.5
261.18454	4.2
271.13330	1.3
272.10507	1.5
273.15134	3.7
283.13354	6.4
298.12070	2.2
299.12717	0.8
299.16275	0.9
301.14398	8.2
301.19904	0.8
307.19153	2.4
309.14819	1.0
311.12891	5.6
325.20142	5.2
327.12311	3.3
327.15939	19.8
328.16135	0.8
329.13815	5.4
343.11816	1.5
343.21216	5.4
345.13022	1.5
345.17065	18.7
346.17438	1.3
371.14963	11.8
389.16049	16.0
389.25330	18.5
389.30219	1.2
410.50882	0.8
445.24304	2.5
461.24057	2.8
463.25467	2.5
467.24899	2.2
469.06677	3.6
487.25473	2.3
505.26556	100.0
506.26782	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	505.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.5
60.99304	14.9
61.98827	2.5
71.01371	3.8
71.55489	0.9
72.83707	0.5
72.99302	0.6
73.02971	1.0
75.00898	0.5
85.02958	1.4
85.06624	0.7
87.00880	1.4
88.98804	100.0
89.02445	10.0
89.18179	0.5
96.96007	3.5
97.02937	1.1
98.95586	1.0
99.00868	1.9
101.02437	1.9
105.28849	0.6
113.02439	1.9
115.00367	1.7
115.13716	0.6
119.03443	0.7
122.02479	2.5
133.01422	2.2
149.04555	1.3
152.03497	0.8
161.04517	0.9
200.53377	0.6
215.09163	1.6
222.83510	0.5
240.67400	0.7
255.10269	0.7
262.16306	0.7
295.23492	0.6
301.11499	0.7
301.14368	3.7
327.16135	1.1
345.17007	2.4
347.58691	0.6
371.15051	0.8
389.16211	1.2
415.16125	2.5
505.26770	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	504.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61948	2.0
61.98827	7.6
71.01393	2.4
71.53870	3.3
81.55254	2.2
86.45694	2.1
91.56133	1.9
95.44784	2.1
95.49713	2.3
96.96014	5.5
108.02168	54.5
109.02944	8.5
121.02993	2.3
133.02959	3.2
135.02998	2.4
152.01147	49.3
153.01967	22.6
162.02858	3.0
285.06137	100.0
286.06616	5.1
454.42728	2.6
523.62823	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66795	0.0
54.51189	0.0
55.01880	0.1
58.00629	0.1
59.01372	0.5
61.65934	0.0
61.98822	0.1
62.13903	0.0
62.96407	0.1
69.35881	0.4
71.01367	0.1
73.02940	0.1
78.95900	22.2
80.34857	0.0
82.77451	0.0
83.05033	0.1
96.96975	0.3
104.24358	0.0
104.33910	0.1
104.97414	0.1
107.53178	0.0
116.92788	0.0
118.57417	0.1
122.98527	0.2
127.67994	0.1
134.98524	0.1
145.31049	0.1
147.06024	0.0
150.97987	0.1
152.99582	2.9
153.99930	0.1
168.04309	3.5
171.00584	0.1
172.72801	0.1
194.05898	0.1
224.06917	9.3
225.07214	0.2
232.21396	0.1
242.07979	2.2
243.21362	0.1
245.04308	0.2
246.04684	0.1
261.22229	0.4
276.20432	0.1
277.21716	0.5
279.23260	100.0
280.23605	4.5
332.28458	0.1
415.22552	0.2
504.30917	31.1
505.25494	0.2
505.31430	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	503.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03444	1.8
59.01378	100.0
60.01712	1.0
61.98834	1.3
69.03446	0.6
69.52081	3.1
70.26687	0.5
71.01381	16.4
73.02938	5.7
83.00966	0.5
83.01382	2.5
85.02948	8.2
87.00892	1.1
87.04515	1.3
89.02443	3.6
95.01400	2.0
96.96025	0.8
97.02981	1.1
97.06602	0.5
98.19807	0.8
99.00889	3.0
101.02439	7.3
107.05054	0.9
113.02440	10.8
115.00378	1.1
119.03520	1.0
133.02975	1.4
143.03519	0.8
151.00362	0.6
151.04031	2.2
159.02933	0.5
161.04559	4.7
161.05807	0.8
177.01926	0.9
183.10196	0.7
189.15120	0.5
193.05060	0.5
209.28285	0.5
251.07033	0.5
255.02933	4.3
256.03793	1.3
283.02551	1.8
284.03241	26.3
285.03687	0.6
297.04022	0.5
299.05588	28.3
300.06042	1.2
323.04480	0.5
325.14523	1.7
387.14511	1.8
399.23834	16.6
400.24365	1.2
409.31857	0.5
417.24963	6.3
433.28149	0.8
459.26358	1.9
488.27570	0.5
503.12363	1.3
503.25659	0.9
503.32764	7.6
504.33447	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3376
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
59.01384	2.3
61.98839	1.6
69.00395	0.3
69.74113	1.3
69.74525	0.7
71.01387	1.7
71.05013	1.2
84.09377	0.3
85.02971	0.4
96.96038	0.5
97.43146	0.3
98.20011	0.7
101.02408	0.5
110.11298	0.4
115.00369	2.2
121.02955	0.4
133.01448	2.7
135.04532	0.4
137.09695	0.5
142.87636	0.7
162.83907	0.6
187.07614	0.5
188.04848	0.7
200.08493	2.2
203.07048	0.4
204.07832	0.3
205.08658	0.4
211.13408	0.4
213.11259	0.5
215.21034	0.3
217.08740	0.4
227.07068	0.7
228.07906	5.1
229.08636	2.5
247.09779	0.9
253.08948	0.3
267.19562	0.9
297.15109	0.3
325.14612	2.1
343.15463	4.4
344.16238	0.4
387.14160	0.3
419.29587	0.7
421.31177	0.7
437.30222	0.4
441.22833	0.5
443.31833	1.2
453.30270	0.8
459.34702	0.9
471.30972	0.4
485.32715	11.9
486.32983	0.7
503.33795	100.0
504.34183	7.2
514.72998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56956	0.4
59.01365	1.0
61.98822	1.3
62.96412	0.4
63.15616	0.5
67.16610	0.4
71.12511	0.9
78.95901	39.0
81.75546	0.4
88.81637	0.4
91.79762	0.4
96.96964	1.7
105.47237	0.4
152.99580	32.8
168.04303	3.5
171.00642	4.8
224.06905	9.6
227.03278	2.7
231.21136	11.7
242.08051	2.7
245.04291	25.8
261.22159	0.7
262.72845	0.5
275.20120	12.2
276.20557	0.9
279.23270	100.0
385.69458	0.4
388.24341	0.4
408.72903	0.4
503.24130	31.0
504.24432	2.3
504.30914	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	503.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
69.24549	8.9
71.01380	15.3
73.02941	4.1
73.44238	1.1
83.01389	2.2
83.09168	1.0
85.02948	4.8
87.00856	0.9
89.02441	4.0
93.39793	1.1
95.01381	1.9
96.95997	2.4
101.02435	9.0
106.91246	0.9
113.02446	5.3
115.00392	1.7
119.03472	1.6
137.02425	2.0
143.03511	1.7
155.11841	1.1
159.42732	1.2
161.04503	1.7
163.83914	1.1
179.05550	1.3
208.35783	1.2
227.07181	1.3
233.04388	1.4
245.08124	1.6
254.36934	1.1
277.12393	1.5
284.03473	1.4
290.07816	2.0
318.44849	1.1
343.15240	1.5
387.14471	3.0
399.23917	7.7
417.25153	5.6
459.26602	1.7
503.32962	5.0
516.31720	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1195
Annotation	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-(6''-acetyl)-galactoside
Peak:m/z	Relative Intensity
56.34830	0.6
59.01378	5.2
61.98847	1.3
65.00340	0.9
65.73614	0.7
69.50873	4.7
70.25892	0.6
85.02991	0.8
98.20613	1.1
102.44223	0.7
107.01357	1.1
115.00365	0.7
125.25091	0.7
132.02116	1.2
134.03683	1.0
151.00342	1.7
183.59731	0.6
220.14281	0.7
227.03369	1.2
239.03531	1.0
255.02971	99.0
256.03571	5.1
268.03723	0.8
269.04446	4.5
281.04428	0.8
283.02469	66.7
284.03235	93.7
285.03751	5.2
297.04034	12.7
298.04791	13.3
299.05582	97.3
300.05896	3.0
313.03586	3.0
325.14441	1.3
341.06787	1.2
387.14502	1.0
428.07361	4.0
443.09991	6.0
488.09579	19.6
503.11948	100.0
503.24493	2.7
504.12314	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	503.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03866	0.2
56.12903	0.2
59.01381	2.8
61.17525	0.2
61.98822	0.2
62.39228	0.1
69.30716	1.1
69.31130	0.4
71.01382	1.6
73.02930	0.2
73.13212	0.2
79.95736	2.4
81.68684	0.1
85.02946	0.5
87.00884	0.3
89.02448	1.7
96.96010	100.0
98.19928	0.3
101.02451	0.9
108.07971	0.2
109.06646	0.2
111.08797	0.1
113.02418	0.4
114.62169	0.2
115.00388	0.2
119.03535	0.2
131.03558	0.4
149.04543	1.3
161.04556	0.2
167.37033	0.2
191.05658	0.5
212.65858	0.2
243.12340	0.7
281.07224	0.3
284.03268	0.5
299.05609	0.4
343.12021	0.3
443.22784	0.2
503.24744	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56245	0.4
57.03424	0.6
59.01380	3.8
61.98830	3.0
67.12437	0.4
71.01384	1.9
71.54670	0.7
72.99308	0.5
73.02949	0.4
76.27145	0.4
76.31458	0.4
76.41580	0.4
78.95906	2.7
79.95736	3.0
80.91646	1.0
84.47028	0.4
85.02951	4.3
87.00830	0.5
89.02445	0.9
92.05097	0.4
96.92181	0.5
96.96014	100.0
96.96899	4.6
98.95573	1.0
99.00865	0.6
101.02483	1.5
101.89989	0.4
113.02441	0.8
123.04539	0.6
125.02438	0.9
129.53061	0.4
135.04475	0.8
147.02946	0.6
179.03484	1.1
179.05603	0.5
191.01926	2.4
193.04997	0.7
197.04601	0.6
209.02943	0.9
221.04543	0.8
248.91457	0.4
251.05641	1.2
281.06689	0.5
312.06418	0.8
341.08957	1.0
383.07837	0.7
443.19559	0.7
503.12109	1.8
526.87732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1194
Annotation	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-(6''-acetyl)-galactoside
Peak:m/z	Relative Intensity
59.01375	1.3
61.98812	0.3
63.02383	0.5
65.00341	0.4
69.17933	1.5
72.85183	0.1
73.02910	0.2
74.49770	0.1
74.50638	0.1
78.92684	0.1
83.01393	0.4
85.02930	0.3
89.02473	0.2
98.72279	0.2
101.02409	0.2
105.03456	0.2
107.01396	0.8
113.02434	0.3
115.00366	0.4
133.01393	0.2
133.02934	1.5
134.03754	0.8
148.01677	0.2
149.99554	0.2
151.00356	1.5
177.01884	1.1
178.02722	0.2
183.04434	0.4
183.31641	0.1
187.04025	0.3
188.04738	0.2
200.04747	0.6
211.03954	0.6
212.04774	0.2
221.20380	0.1
227.03419	0.9
228.04123	0.2
239.03529	0.3
240.55782	0.2
245.30276	0.2
255.02963	11.6
256.03683	3.4
268.03766	0.3
269.04517	0.5
276.69897	0.1
283.02524	4.4
283.05991	0.7
284.03229	94.6
285.03571	4.0
297.04013	1.9
298.04636	0.3
299.05573	100.0
300.02832	0.2
300.05911	4.5
311.05499	0.2
313.07114	0.4
325.14124	0.2
326.04480	0.3
341.06705	1.4
353.10150	0.2
387.14563	0.3
416.58963	0.2
443.09375	0.3
467.24075	0.2
488.09622	0.4
503.12195	0.9
503.22748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.1
61.98814	0.8
66.68375	0.4
67.13538	0.3
71.01384	1.9
71.21362	0.8
72.00901	9.6
85.02973	0.4
86.89264	0.4
89.02432	1.9
96.96010	1.3
101.02435	1.3
103.05523	0.5
103.53431	0.4
103.92045	0.5
107.56492	0.4
109.02939	1.6
113.02431	0.9
119.03496	0.6
119.05017	0.4
132.36079	0.4
134.04727	1.1
143.03488	0.4
147.04509	35.8
148.04877	0.6
153.01955	2.2
161.04567	0.6
164.07149	100.0
165.07483	2.6
173.37032	0.4
179.05595	1.0
210.20770	0.4
234.53510	0.3
237.33955	0.4
315.07172	1.5
337.14960	7.3
372.06583	0.4
395.77951	0.4
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
53.07068	0.3
53.38129	0.4
55.31267	0.3
57.03442	0.4
59.01377	16.2
61.98828	2.7
71.01376	9.1
71.55928	0.5
71.56326	0.5
73.02951	1.3
75.20018	0.4
83.01368	0.8
85.02941	2.5
87.00902	0.6
89.02441	5.5
93.03432	0.4
95.01389	0.9
96.96017	1.7
99.00890	1.0
101.02444	4.0
108.02055	0.3
110.89017	0.3
113.02436	2.4
115.00375	0.8
118.06650	1.0
118.72614	0.4
119.03478	1.6
130.08730	93.7
131.03465	0.6
131.09047	1.3
134.03716	1.4
147.04556	1.0
149.04573	1.1
149.06050	1.1
160.01634	0.5
161.04669	0.8
175.03996	1.6
189.04161	0.5
190.05032	2.7
190.70496	0.4
209.46432	0.4
281.10632	1.2
293.08319	0.4
322.20334	2.0
326.11475	0.5
340.11948	5.0
341.14072	0.5
355.11844	0.5
387.10556	0.5
464.22009	1.4
502.19003	4.8
502.26529	100.0
503.19046	5.6
503.26437	8.4
507.46722	0.4
511.24161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00332	0.2
52.57071	0.2
56.96717	0.2
57.03427	0.3
59.01382	1.2
61.75422	0.2
61.98830	0.5
71.01382	0.4
71.05029	1.3
71.55952	0.3
73.02947	0.3
75.21864	0.2
78.15966	0.2
83.05019	0.6
88.98839	0.2
96.96008	0.2
108.65383	0.2
157.21671	0.2
183.80983	0.2
247.09415	0.3
265.18137	1.0
339.27106	0.2
363.26849	0.2
367.26196	0.7
377.28268	0.4
379.29868	0.2
387.26434	0.2
391.30151	0.5
393.31714	0.9
401.28467	0.2
403.30148	0.4
417.27863	0.4
419.29474	0.6
421.31192	2.3
423.29053	0.4
439.32294	0.3
441.30225	1.1
457.33160	0.8
483.31104	11.0
484.31610	1.1
501.32196	100.0
502.32568	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49179	0.3
59.01380	100.0
60.01722	0.7
69.34370	0.3
70.56278	0.8
70.56634	0.4
71.01378	1.3
73.02971	0.9
85.02985	0.6
89.02464	1.0
97.02936	0.4
98.20635	0.4
101.02470	1.2
109.06567	0.4
111.56134	0.3
113.02471	1.3
119.03553	0.4
140.57060	0.3
158.99361	0.3
161.04564	0.6
203.14616	0.4
205.27754	0.3
247.13484	0.9
265.14578	1.5
441.25143	0.7
451.01242	0.3
501.24036	0.5
501.31772	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3218
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
50.93400	0.3
52.84306	0.3
53.03094	0.3
59.01360	1.1
61.98819	0.5
64.55947	0.3
67.96221	0.3
69.60793	1.5
70.18351	0.3
71.05007	1.3
71.13493	0.3
72.00385	0.3
73.02983	0.3
83.04987	0.4
96.95998	0.4
126.96514	0.3
261.70468	0.4
265.18112	0.4
275.11719	0.3
300.97803	0.3
347.10324	0.4
367.26520	0.6
382.26294	0.3
391.29987	0.5
393.31702	1.3
402.22537	0.3
403.29880	0.3
417.27573	0.3
419.29434	0.7
421.26019	0.4
421.30823	1.8
423.28842	0.4
425.14633	0.3
439.32104	0.6
441.29855	1.6
457.33228	0.7
483.31104	12.5
484.31494	1.0
497.11142	0.3
501.32205	100.0
502.32550	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39848	0.2
59.01382	100.0
60.01704	0.5
62.65947	0.2
69.03461	0.3
69.49355	1.5
69.49762	0.5
71.01398	1.0
76.54459	0.3
85.02975	0.5
89.02440	0.3
96.96049	0.4
101.02476	0.8
113.02484	0.5
133.85666	0.3
161.04633	0.4
175.05109	0.3
239.68192	0.3
247.13422	0.3
265.14438	1.0
399.24078	0.6
501.23856	0.5
501.31064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44039	0.3
57.03445	0.2
59.01379	100.0
60.01720	0.7
61.00805	0.2
61.98828	1.1
69.03449	0.3
69.49715	1.7
71.01370	1.6
72.99315	0.3
73.02973	0.5
82.22205	0.2
82.24496	0.2
85.02951	0.7
86.70753	0.2
89.02454	0.7
96.96003	0.5
97.03019	0.3
98.19896	0.5
99.00921	0.3
101.02476	1.0
111.00909	0.5
113.02464	0.7
113.99595	0.3
115.00443	0.5
116.46420	0.3
161.02472	0.2
175.02544	0.7
193.05124	0.3
308.05469	0.3
381.23038	0.4
399.23746	0.5
405.11725	0.4
441.25003	0.7
483.31406	0.6
493.31982	0.3
501.32272	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	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01727	0.6
61.98832	1.2
66.69539	0.3
70.18705	0.3
70.44712	0.9
71.01383	3.3
72.99303	0.4
73.02962	0.7
83.01418	0.4
85.02967	1.0
87.00887	0.4
89.02446	1.8
99.00871	0.4
101.02448	1.4
113.02480	0.8
115.00381	1.6
119.03547	0.7
133.01440	1.2
139.00365	0.3
161.04582	0.5
175.02429	0.5
177.01927	0.4
179.05635	0.4
187.04054	0.3
191.03662	0.3
192.04292	0.4
192.37589	0.3
225.11444	0.3
237.15024	0.5
253.12245	0.3
265.14587	0.4
269.12357	0.3
301.28271	0.3
333.09879	0.4
373.09454	0.9
385.12881	2.0
399.23990	0.9
415.10739	1.4
415.40784	0.3
501.31241	2.0
502.32056	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01697	0.5
61.98836	1.8
65.78735	0.3
71.01385	3.7
72.99300	0.3
73.02952	1.2
82.22600	0.3
83.01394	0.6
85.02977	1.0
87.00884	0.7
89.02450	0.8
89.64355	0.2
97.02974	0.3
98.19857	0.6
99.00882	0.5
101.02431	2.2
111.00884	0.7
113.02472	1.2
115.00391	2.0
119.03462	0.5
127.28812	0.3
133.02945	0.3
134.03806	0.3
135.04541	0.5
147.04536	0.3
161.02419	0.4
161.04588	0.8
174.01744	0.5
175.02472	2.7
175.03870	0.5
177.02176	0.3
185.00920	0.7
186.75220	0.3
188.73621	0.3
192.04297	0.4
193.05171	0.5
223.13376	0.5
225.05617	0.3
229.16885	0.3
265.14355	0.4
284.10767	0.3
335.04303	0.3
373.09418	0.6
385.12830	0.6
399.24234	0.4
405.11868	0.4
415.10425	0.5
421.31317	0.3
441.25156	0.5
501.31314	7.8
502.32590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01712	1.1
61.98832	1.3
71.01379	3.2
71.55252	0.7
73.02978	0.7
83.01408	0.5
85.02950	1.2
87.04527	0.5
89.02458	1.0
93.18444	0.4
95.01423	0.5
96.96001	0.8
101.02437	2.6
109.06593	0.7
111.00916	0.5
111.09338	0.4
113.02457	1.5
115.34692	0.4
133.01413	0.5
149.05981	0.5
161.04509	0.9
221.89482	0.4
247.13467	1.2
265.14404	1.2
279.22632	0.5
309.14951	0.8
312.17358	0.5
381.23325	0.6
385.12680	0.6
385.17014	0.7
399.23981	1.0
441.24973	0.8
462.81598	0.5
501.24261	0.8
501.31287	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	501.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01381	100.0
61.98839	3.1
69.36035	1.5
69.36448	4.3
70.06490	0.6
71.01385	11.8
73.02950	2.7
82.95415	3.1
83.01401	1.5
85.02955	3.6
89.02444	6.0
91.30414	0.6
95.01401	1.6
96.96011	0.9
97.24933	0.6
101.02444	7.5
113.02454	8.8
115.00391	2.1
119.03517	2.9
133.01401	1.1
143.03529	0.7
144.89577	0.6
145.02959	0.8
154.16769	0.7
161.04601	2.6
175.02480	0.7
179.05588	1.2
183.13945	0.9
184.67039	0.6
261.46674	0.7
373.09390	1.1
385.12939	1.7
397.22330	5.3
415.23517	2.2
463.21915	1.2
501.30945	2.6
502.26871	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46326	1.3
57.03441	1.2
57.30543	1.1
59.01380	100.0
60.01713	1.7
61.98830	6.8
71.01384	15.7
71.55125	1.1
71.55492	1.1
73.02942	7.4
78.95822	1.3
83.01392	3.1
84.95088	1.0
85.02938	8.1
87.00891	2.2
89.02423	7.6
93.03511	1.0
95.01392	1.8
96.96007	4.1
97.03038	1.3
99.00912	1.3
101.02440	12.1
107.01442	1.0
113.02458	9.4
115.00369	3.4
119.03503	3.3
121.02932	1.3
121.06587	4.3
130.08746	1.7
133.01414	2.2
139.46201	1.0
143.03476	2.8
159.04535	1.0
161.04538	4.3
173.13405	1.3
175.02571	1.8
179.05595	2.2
191.03490	1.1
202.20674	1.1
217.64929	1.1
265.14368	1.1
279.15869	1.1
301.06067	1.2
339.18097	1.5
397.22348	3.7
415.23383	2.7
441.21082	1.3
463.21869	1.4
501.22003	8.5
501.29898	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03443	0.8
59.01379	100.0
60.01699	0.9
61.98831	2.2
71.01385	11.2
71.05043	0.5
72.99326	0.9
73.02927	2.7
82.95413	4.2
83.01392	1.3
85.02943	3.9
87.00878	1.6
89.02438	5.7
95.01395	1.3
96.96005	1.2
97.02989	0.5
98.19913	1.0
101.02436	6.4
112.64296	0.6
113.02454	8.7
115.00388	1.8
119.03500	2.9
130.08795	0.6
131.03593	0.8
133.01443	0.7
133.68506	0.5
139.07646	0.7
143.03506	0.8
161.04575	1.9
175.02538	1.0
175.03987	0.5
179.05669	1.2
181.12575	0.6
183.13811	0.7
210.89587	0.5
337.71024	0.5
352.08154	0.6
385.12939	1.0
397.22379	4.7
415.23318	2.6
463.21951	0.8
501.30759	5.6
502.26541	5.6
520.10846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.78633	1.3
61.98823	12.5
62.08738	1.4
63.49294	1.3
70.08553	1.2
70.48411	1.2
70.88236	1.2
71.01379	21.0
72.99314	1.7
73.02942	7.8
83.01378	3.9
85.02937	5.4
87.00883	2.6
89.02445	10.7
95.01397	2.2
96.95990	7.6
97.02878	1.3
101.02441	12.1
113.02457	13.0
115.00381	1.7
119.03502	3.6
133.04987	1.4
143.03468	2.0
161.04579	4.7
163.11247	1.3
179.05548	2.4
229.43748	1.5
353.02609	1.3
369.44522	1.4
395.82330	1.3
397.22260	5.5
415.23462	2.0
457.20428	3.0
498.06940	1.4
501.23343	4.6
503.18921	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94029	0.4
59.01377	75.0
69.35990	2.9
90.97129	0.8
103.62741	0.4
118.96648	0.9
132.98195	1.8
134.97081	1.3
157.03566	4.0
159.01448	0.9
174.99240	22.6
201.02550	35.7
202.02646	1.1
212.84155	0.5
217.00287	100.0
218.00677	1.1
258.18088	0.4
275.23819	0.4
276.98151	1.1
292.77136	0.5
292.96088	0.5
293.26959	0.4
343.03802	2.7
359.01437	72.5
360.01657	4.2
459.54657	0.4
472.10336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.78633	1.3
61.98823	12.5
62.08738	1.4
63.49294	1.3
70.08553	1.2
70.48411	1.2
70.88236	1.2
71.01379	21.0
72.99314	1.7
73.02942	7.8
83.01378	3.9
85.02937	5.4
87.00883	2.6
89.02445	10.7
95.01397	2.2
96.95990	7.6
97.02878	1.3
101.02441	12.1
113.02457	13.0
115.00381	1.7
119.03502	3.6
133.04987	1.4
143.03468	2.0
161.04579	4.7
163.11247	1.3
179.05548	2.4
229.43748	1.5
353.02609	1.3
369.44522	1.4
395.82330	1.3
397.22260	5.5
415.23462	2.0
457.20428	3.0
498.06940	1.4
501.23343	4.6
503.18921	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30354	0.9
57.07655	0.8
59.01378	89.4
59.70076	0.8
61.98833	1.2
69.40494	6.6
74.15501	0.8
78.95904	28.0
96.96958	2.0
119.11134	0.8
126.93751	0.9
137.29192	0.9
152.99588	50.5
157.19322	0.9
171.00650	3.2
186.79956	0.7
187.11287	0.9
189.12875	3.2
202.99533	0.9
205.15984	12.2
227.03262	9.7
245.04182	6.2
246.45622	0.9
247.19489	1.0
249.15007	2.0
253.21611	1.0
254.21951	0.9
271.22763	100.0
272.23102	4.6
407.21860	1.7
411.32584	1.7
422.57236	0.9
437.06369	0.9
455.31567	2.8
498.93399	1.1
499.25861	96.0
500.26199	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	499.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77789	0.4
52.34024	0.4
55.01883	0.8
55.78693	0.4
57.03434	1.2
59.01376	100.0
60.01706	0.5
61.98828	4.1
69.03447	0.6
69.81915	2.1
71.01377	6.9
72.99343	0.4
73.02947	2.0
73.53347	0.4
73.84345	0.5
75.00865	6.1
82.95456	0.4
83.01400	1.3
85.02948	5.8
87.00898	0.8
88.98831	0.5
89.02486	1.1
96.96062	0.6
97.02946	0.5
98.19798	0.5
99.00900	1.2
101.02432	5.2
111.00894	0.8
113.02428	3.1
119.03490	0.6
120.16770	0.4
129.01974	1.7
131.07155	1.9
133.02933	0.5
135.04634	0.4
161.04594	1.7
177.12901	0.4
193.08685	0.4
205.03490	1.3
236.23953	0.4
249.09727	0.4
337.23779	0.5
357.14447	0.5
397.22488	0.9
439.23587	1.2
455.29944	0.5
481.17010	0.6
499.21823	0.5
499.29068	12.5
500.29605	0.9
509.90469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77789	0.4
52.34024	0.4
55.01883	0.8
55.78693	0.4
57.03434	1.2
59.01376	100.0
60.01706	0.5
61.98828	4.1
69.03447	0.6
69.81915	2.1
71.01377	6.9
72.99343	0.4
73.02947	2.0
73.53347	0.4
73.84345	0.5
75.00865	6.1
82.95456	0.4
83.01400	1.3
85.02948	5.8
87.00898	0.8
88.98831	0.5
89.02486	1.1
96.96062	0.6
97.02946	0.5
98.19798	0.5
99.00900	1.2
101.02432	5.2
111.00894	0.8
113.02428	3.1
119.03490	0.6
120.16770	0.4
129.01974	1.7
131.07155	1.9
133.02933	0.5
135.04634	0.4
161.04594	1.7
177.12901	0.4
193.08685	0.4
205.03490	1.3
236.23953	0.4
249.09727	0.4
337.23779	0.5
357.14447	0.5
397.22488	0.9
439.23587	1.2
455.29944	0.5
481.17010	0.6
499.21823	0.5
499.29068	12.5
500.29605	0.9
509.90469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.2
59.01377	14.5
61.98826	6.4
68.53354	1.3
71.01378	22.3
73.02940	6.9
82.95411	14.1
83.01383	2.6
85.02950	18.0
87.00917	1.9
89.02441	10.4
96.96001	4.7
99.00867	8.7
99.01472	1.5
101.02448	12.5
111.00868	4.3
113.02464	11.0
119.03502	3.0
123.04528	1.5
129.01915	4.4
131.03500	1.9
137.02434	3.3
149.04544	5.1
161.04578	7.4
172.04663	1.3
191.05536	3.8
205.03500	5.8
223.04590	3.1
233.06500	2.3
331.17532	2.9
355.70163	1.6
439.21832	8.6
463.21835	100.0
464.22168	5.5
499.19565	33.0
500.19739	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78580	1.0
55.01868	2.4
57.03435	2.2
59.01380	35.5
61.19508	1.0
61.98822	9.6
68.99554	1.3
69.03465	1.9
71.01379	32.5
71.56111	1.4
72.99307	2.2
73.02938	8.5
75.00879	1.9
75.45867	1.0
83.01385	4.4
85.02943	14.2
87.00859	2.9
89.02444	14.2
95.01385	1.6
96.96001	16.3
97.02941	1.5
99.00870	5.8
101.02434	24.6
111.00886	6.8
112.98549	1.6
113.02447	11.4
115.00354	1.3
125.02424	1.8
129.01945	1.9
131.03485	8.9
134.03741	1.6
137.02415	1.3
141.01668	1.1
143.03484	2.5
149.04538	2.7
151.03970	1.3
159.03029	2.6
161.04553	5.7
167.10063	1.2
191.05569	1.6
209.03049	1.9
215.05765	1.1
231.10260	1.4
233.06593	1.7
307.17560	22.5
439.21799	100.0
440.22162	4.8
499.18900	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	499.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05703	0.3
59.01379	100.0
61.98833	0.8
71.01382	2.0
71.55595	0.6
72.45740	0.3
73.02969	0.5
78.95917	0.4
84.20522	0.3
85.02973	0.7
89.02456	0.4
96.96011	0.9
101.02471	0.7
113.02453	0.6
142.11528	0.4
161.04640	0.3
211.13445	0.4
243.92116	0.3
247.95547	0.3
331.23843	0.4
367.42136	0.3
405.28015	0.6
425.30743	2.3
455.31726	0.4
469.29797	0.7
499.24683	0.4
499.29688	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1956
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
53.20065	2.1
53.67358	2.1
57.03437	10.1
57.03695	2.2
58.22248	1.9
59.01107	2.5
59.01379	30.8
61.98827	6.9
71.01383	21.6
71.54875	3.6
72.99331	3.3
73.02946	5.4
75.00871	4.6
80.96503	10.1
83.01409	4.2
83.04979	2.2
84.02150	2.1
85.02950	92.5
89.02448	12.0
96.96008	10.2
97.02937	2.8
99.00879	5.8
101.02462	10.6
103.00313	2.0
106.04221	4.0
111.00874	8.4
113.02428	6.1
129.01938	11.2
130.08720	14.1
134.03723	5.4
137.02419	2.9
141.01714	4.0
147.02954	7.3
149.04544	3.4
161.04524	3.7
161.09718	10.3
166.05150	2.4
167.10872	2.5
191.01929	20.8
205.03493	10.5
205.08713	22.8
209.09885	4.9
209.11829	100.0
227.12881	25.1
242.74553	2.7
253.09344	23.9
255.02364	2.8
263.09003	3.2
439.21768	11.4
445.20599	8.0
461.20520	3.4
463.21799	35.9
499.19382	86.1
500.25095	9.6
506.70013	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	499.1949
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
51.39435	3.7
57.03440	6.2
59.01376	32.3
61.98813	17.2
71.01380	25.7
71.55051	6.3
72.99305	4.0
73.02949	11.7
78.09377	3.3
78.30941	2.9
80.96528	6.3
82.92289	3.5
83.01401	3.9
85.02956	36.3
89.02434	17.5
93.03452	4.9
96.96009	9.6
101.02448	17.7
103.15514	3.6
111.00880	8.6
113.02438	8.4
115.04059	4.0
129.01933	9.0
130.67940	3.7
131.03470	4.9
135.04532	3.4
149.04504	12.0
157.02927	3.0
161.04504	5.0
173.04544	5.4
191.05540	4.6
205.03554	14.6
209.11794	56.6
227.12854	15.5
253.09247	12.2
298.04794	30.2
310.65363	4.4
315.21201	3.4
331.17236	3.8
341.06549	28.3
352.69064	3.9
384.68887	3.6
421.24356	3.5
439.22098	21.6
443.44974	3.5
461.10754	32.1
463.11627	4.6
463.21796	57.9
464.22244	4.6
497.77734	3.9
499.19437	100.0
500.19589	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	499.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
61.98820	0.8
65.45893	0.2
66.91891	0.2
69.03446	0.7
69.16668	1.8
71.01369	0.7
78.95900	1.2
79.44259	0.2
79.95731	2.7
85.02937	0.6
89.02462	0.2
93.64955	0.2
96.96010	100.0
98.20684	0.4
113.96729	0.2
149.04556	0.3
185.00931	0.6
205.03508	0.2
438.20648	0.2
439.21338	1.0
464.52707	0.2
466.49530	0.2
499.11377	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1953
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
59.01375	16.3
61.98828	10.9
67.33111	1.7
69.24920	13.6
71.01387	23.4
73.02937	7.7
83.01355	3.1
85.02952	15.3
87.00857	4.1
89.02429	7.9
89.88231	1.6
96.96005	13.0
98.20735	2.9
99.00878	3.8
101.02428	16.8
107.26145	1.5
111.00876	2.2
113.02449	6.6
116.92081	1.4
116.92831	8.2
117.01937	3.1
125.02455	2.9
129.01947	4.2
131.03484	3.9
135.05627	2.0
149.04575	2.9
155.65207	1.7
159.03033	2.1
161.04556	6.6
168.60464	1.6
185.00916	2.1
205.03334	1.7
209.02922	1.8
307.17584	8.9
331.17535	3.8
342.95529	1.6
381.17456	1.6
439.21725	43.6
463.21841	41.5
499.19531	100.0
500.19763	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	498.2891
Annotation	Tauroursodeoxycholic acid
Peak:m/z	Relative Intensity
50.55070	0.2
59.01376	1.5
59.34733	0.3
59.37204	0.3
61.98829	1.1
70.56006	0.3
71.01378	0.9
73.02959	0.6
78.95884	1.8
79.95738	8.2
80.96510	2.4
82.15794	0.3
85.02952	0.3
94.98121	0.4
99.08160	0.5
106.98073	3.2
110.98500	1.4
121.51015	0.3
124.00754	4.0
139.11273	0.5
139.89195	0.3
167.01158	0.8
170.48283	0.3
171.10242	1.4
172.10641	0.9
211.13383	0.8
212.13777	1.1
225.47897	0.3
229.14464	0.7
230.14784	0.8
233.04523	0.4
252.97313	0.4
329.23499	0.8
330.23663	3.7
337.23944	1.2
414.30124	0.3
494.30838	0.3
498.29047	100.0
499.29242	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	499.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.7
59.94364	0.3
69.65217	1.5
71.01382	1.6
72.99314	0.9
74.06480	0.3
74.61751	0.3
75.00863	0.5
77.46519	0.3
83.01385	5.2
85.02954	1.0
87.00892	0.9
88.98813	1.5
89.02437	0.9
93.03463	0.5
95.05046	0.4
96.96008	7.9
98.95612	0.4
99.00878	5.7
101.02418	0.5
107.05026	1.0
108.02180	0.8
109.02940	9.3
113.02451	0.8
114.48897	0.4
115.00356	3.2
119.05038	0.9
121.02985	0.6
121.06592	2.7
123.00920	0.4
123.04528	0.6
129.01927	0.5
131.05040	1.1
133.02946	2.6
135.04523	3.3
137.02446	0.6
137.06088	0.6
142.99854	0.4
145.02950	3.3
145.98334	0.3
146.03725	0.7
147.04514	4.7
148.05298	3.7
149.06070	100.0
150.03244	1.5
150.06410	1.8
151.04022	0.5
156.91595	0.5
159.04553	1.8
160.05373	0.3
161.02444	7.6
161.06122	2.1
163.04005	5.3
165.05573	4.8
171.04549	0.6
173.06070	0.4
174.03191	1.9
175.02586	0.9
175.03984	18.2
176.04456	0.5
177.01923	8.8
177.05545	1.3
179.03482	0.6
185.06068	0.9
187.04012	2.1
187.07594	0.9
188.04814	1.1
189.02025	0.4
189.05554	2.2
190.02641	0.7
191.03456	2.4
191.07161	0.4
192.04280	1.0
193.05038	16.2
194.05363	0.6
201.05540	0.7
203.03468	1.2
203.07179	1.2
204.04311	0.4
205.05078	1.8
206.02151	2.6
209.04527	0.8
213.05516	0.6
214.02693	0.4
215.03526	1.4
219.02960	32.7
220.03328	0.7
226.15820	0.3
229.05087	0.9
231.06590	2.4
232.03706	0.8
233.04529	11.3
237.04025	50.7
238.04364	1.5
247.06180	0.9
249.07610	0.7
255.05186	1.0
257.04565	0.4
259.02405	0.6
275.05521	3.6
277.00555	0.4
277.03510	9.3
279.04901	0.9
293.06616	5.0
294.16708	0.3
319.04544	12.1
319.08322	0.6
320.04822	0.5
337.05615	55.0
338.05911	2.3
381.08270	9.8
395.09955	0.5
399.09308	10.9
400.09686	0.6
439.08832	5.9
481.09875	7.5
499.10831	11.2
500.10904	0.5
523.03644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
61.98830	100.0
62.99246	0.2
66.78986	0.2
67.82699	0.2
69.43757	0.5
69.44165	0.9
71.01395	0.2
72.19397	0.2
77.05622	0.2
78.95913	0.6
86.87722	0.2
93.88850	0.2
98.19839	0.3
110.98582	0.3
139.11333	0.3
145.23267	0.2
171.10379	0.3
172.10648	0.4
211.13414	0.3
312.23010	0.2
329.23126	0.4
330.23529	1.1
405.53964	0.2
437.22546	0.2
438.24292	0.4
467.04892	0.2
494.16794	0.2
498.19608	0.3
498.25885	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	497.2521
Annotation	12,13-Deoxyroridin E
Peak:m/z	Relative Intensity
57.03445	0.6
59.01364	2.4
61.98818	1.1
63.44323	0.5
65.43288	0.6
66.72263	0.5
69.03419	0.6
69.31200	3.7
69.31606	1.2
71.01379	1.3
72.79122	0.6
78.95902	23.8
91.05004	0.6
95.76007	0.7
96.96027	1.1
97.06566	0.9
99.08164	5.3
101.02418	0.8
104.97462	0.7
110.98527	17.3
123.08129	0.6
125.09739	0.9
127.11330	3.4
137.00166	0.7
139.11292	7.1
155.10776	0.6
155.14355	0.7
157.12306	1.0
165.12852	1.1
166.52521	0.7
167.01147	15.1
167.14381	1.4
171.08791	1.4
171.10268	28.7
183.13890	4.6
185.02231	4.1
193.12302	1.3
199.13431	0.8
201.11281	0.7
209.11940	0.9
211.13383	32.0
212.13652	1.3
229.14426	17.6
239.55663	0.7
293.21259	1.5
301.87219	0.7
311.22299	1.2
329.23303	52.0
330.23648	2.9
333.95129	0.6
437.24130	0.9
497.25211	100.0
498.25616	5.0
521.77771	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	84.4
61.19324	1.2
61.98825	2.8
71.55994	1.5
78.95909	28.6
96.96960	2.5
152.99596	49.5
162.80937	1.4
171.00603	2.9
183.49022	1.2
197.19116	2.9
209.19026	1.8
223.20618	2.2
225.22250	7.9
227.03279	11.2
245.04343	7.4
269.21222	100.0
270.21606	4.3
497.25229	94.1
498.25546	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	497.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01372	3.5
70.55582	0.5
70.55933	1.8
71.05020	9.2
72.52917	0.6
73.14438	0.6
75.26929	0.7
78.95899	19.7
83.05023	1.8
95.24450	0.6
96.96960	2.0
99.00875	1.2
114.05922	0.6
152.99583	37.8
171.00621	1.7
195.17561	1.0
197.19102	20.6
223.20656	8.8
225.22223	32.7
226.22563	1.7
227.03239	6.6
245.04289	1.6
251.20168	5.2
269.21198	91.2
270.21558	3.8
456.42221	0.7
497.25186	100.0
498.25623	5.7
507.27548	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
55.18984	1.1
55.60843	1.3
55.61115	1.3
57.03433	2.2
59.01376	41.1
61.98816	1.6
67.10415	1.1
69.34486	3.2
69.34895	6.5
71.01380	46.0
72.99281	1.7
73.02943	12.7
82.83109	1.1
83.01380	5.9
85.02951	13.5
85.06606	1.9
87.00882	3.5
89.02445	31.6
94.98096	2.7
95.01382	2.5
96.96014	5.7
97.02940	1.7
99.00877	5.3
101.02435	26.8
111.00880	4.2
113.02454	14.9
119.03529	2.6
125.02435	6.8
131.03484	12.3
135.04550	1.3
143.03490	2.0
143.10797	5.5
149.04550	12.3
154.91876	2.2
156.71095	1.1
159.02879	1.7
161.04543	8.2
167.40683	1.1
191.05563	4.3
201.11522	1.8
233.06631	3.8
293.08746	6.7
305.16049	11.5
437.20255	100.0
438.20752	4.0
497.22610	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	497.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01376	1.0
54.18462	1.2
56.89718	1.1
59.01352	3.4
61.98823	4.4
65.40452	1.3
70.92168	2.5
71.09017	1.1
86.43203	1.1
87.70832	1.1
96.96014	1.5
106.83730	1.2
120.79559	1.0
171.64702	1.1
177.88141	1.1
225.11292	4.9
255.03055	5.3
283.02411	4.4
284.03253	65.6
285.03583	2.9
297.03903	1.6
299.05591	100.0
300.05811	4.0
446.08530	1.5
461.11002	7.8
461.20062	4.9
497.17902	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	497.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07388	1.7
58.00587	2.8
59.01378	100.0
61.98836	10.2
69.03440	4.9
71.01377	62.7
71.55521	2.7
72.99332	3.6
73.02950	14.6
75.00872	34.2
78.46008	1.8
78.91887	3.0
83.01374	3.7
85.02954	8.5
87.00865	3.2
89.02439	87.2
95.01343	2.1
96.96007	14.3
97.02927	6.8
99.00880	15.7
99.04496	2.4
101.02444	24.8
111.00777	1.7
113.02436	9.2
115.03960	5.9
119.03448	3.4
125.02449	37.4
128.38159	1.9
131.03482	10.7
132.26698	1.6
143.03493	2.9
143.10774	39.0
146.74940	1.9
149.04538	34.5
161.04460	4.1
167.10704	2.7
178.02283	1.6
185.11813	4.2
185.72260	1.8
189.95224	2.0
191.05600	9.4
192.25717	1.7
195.56572	1.9
215.12836	2.1
233.04350	2.6
233.06543	17.3
236.33679	1.8
265.03018	1.8
284.03223	2.7
286.66302	1.7
293.08759	89.8
294.09174	3.1
299.05521	4.4
329.06454	2.7
380.00262	2.0
417.11011	1.9
421.19827	4.9
437.20480	2.5
465.18417	2.3
479.15463	2.7
497.19357	7.5
497.27478	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	497.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87298	0.6
53.36108	0.6
59.01382	11.7
61.98838	3.2
67.22883	0.7
70.89256	1.4
71.01379	9.1
72.99304	3.6
73.02960	1.7
75.00888	3.0
80.05061	10.6
83.01379	1.2
85.02958	2.1
87.00887	3.1
88.98809	1.0
89.02439	6.5
92.05083	2.8
94.06622	1.7
96.96009	18.9
96.96611	1.4
99.00848	1.3
101.02429	5.5
102.36761	0.6
104.05067	1.5
108.03815	1.3
108.04552	25.6
110.06116	1.1
111.00814	0.6
113.02467	2.4
119.03511	1.6
120.04554	6.0
122.02549	1.0
122.06132	3.1
124.04053	2.6
124.07729	1.0
125.13564	0.6
131.03625	0.7
134.06111	0.8
135.04535	2.7
136.04037	6.7
137.04826	1.5
138.05595	13.6
141.09262	0.8
147.03250	9.5
148.04039	25.5
149.04512	1.3
150.05611	10.1
160.04079	1.7
161.04526	1.2
162.05594	1.6
164.03537	3.2
165.04266	3.6
166.05081	33.8
167.05447	0.8
174.05630	1.2
179.03528	1.8
190.05130	4.3
191.05580	1.3
194.04555	5.5
200.09540	1.2
215.09592	1.2
215.11870	11.9
215.13850	1.3
216.12120	0.9
240.09045	0.8
254.10538	1.1
255.11356	3.8
273.12366	0.9
300.10883	3.2
310.09161	1.0
328.10333	52.8
329.10767	2.5
335.07700	1.3
344.09918	0.9
372.09314	100.0
373.09677	3.0
396.20407	0.8
435.17432	1.0
461.16507	1.0
479.16672	6.4
497.17719	47.6
498.18069	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	497.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82930	0.2
59.01372	1.7
60.58236	0.2
61.98820	3.1
70.78798	0.3
70.79111	0.5
73.02927	0.3
85.02961	0.3
94.27462	0.2
101.02425	0.4
107.01360	0.3
134.03748	0.3
137.02428	0.3
150.71777	0.2
151.00360	0.5
169.12276	0.3
211.03931	0.3
255.02945	4.3
256.03659	1.6
283.02466	2.8
284.03241	66.2
285.03683	3.7
297.04013	1.0
298.04755	1.0
299.05582	100.0
300.05936	4.6
341.06659	0.8
446.08414	1.5
447.09195	1.1
461.10815	7.4
462.11282	0.6
497.08600	1.4
497.17160	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
58.00571	1.2
59.01379	22.0
61.98840	6.1
71.01379	21.2
71.54001	0.9
72.99303	2.2
73.02947	4.3
75.00867	2.4
80.05060	9.5
83.01353	2.7
85.02944	6.5
85.59167	1.1
87.00880	2.6
89.02444	13.0
92.05060	2.3
94.06628	1.3
95.01360	1.1
96.49464	0.9
96.96006	13.0
99.00876	2.8
101.02438	12.6
104.05057	1.3
108.04556	22.9
109.02903	1.0
110.06119	1.6
111.00901	1.7
113.02435	6.6
115.29169	1.0
116.92871	2.2
119.03477	1.5
120.04543	5.8
122.06103	1.6
124.04013	3.0
124.07642	1.0
125.02464	1.8
129.01900	0.8
131.03496	2.2
131.07101	1.0
134.06119	1.1
135.04506	2.1
135.62181	1.0
136.03993	5.5
136.04887	1.2
137.04840	1.1
138.05600	11.2
147.03255	9.7
148.02931	1.7
148.04047	25.2
149.04474	3.3
150.03239	1.0
150.05608	6.2
157.96074	0.8
161.04526	2.3
162.05583	1.9
164.03474	2.0
165.04245	3.8
166.05089	34.4
178.05133	2.2
190.05112	3.5
191.05550	1.8
193.77432	1.1
194.04593	3.3
215.11841	2.5
219.87978	0.8
220.06076	1.2
221.06744	1.0
237.69986	0.9
255.11261	1.3
256.91934	0.9
297.55008	1.0
300.10767	2.3
305.15942	3.9
310.09296	1.2
311.99673	1.0
328.10352	49.4
329.10800	1.4
372.09320	100.0
373.09586	3.8
398.36978	1.0
437.20245	31.5
438.20737	1.1
447.67874	0.9
479.16483	2.8
497.17746	32.8
497.24670	1.3
498.18750	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	495.2595
Annotation	Pierisformoside E
Peak:m/z	Relative Intensity
57.03450	0.5
59.01374	8.7
61.98830	14.0
67.69437	0.4
71.01378	2.6
71.55599	0.5
71.95527	0.4
73.02973	0.8
78.95901	5.5
81.03419	0.5
83.05054	1.0
84.02195	1.2
85.02998	1.8
89.02440	0.5
96.96043	0.6
97.02978	0.4
97.06630	0.5
101.02479	0.7
110.98528	4.7
113.02464	1.1
115.00420	0.6
137.09770	1.5
152.99602	0.4
155.10815	1.4
166.88362	0.4
167.01154	3.3
171.10257	10.3
171.11658	0.5
175.03938	0.5
181.12462	0.4
185.02245	1.0
185.11963	1.0
197.11870	0.7
208.34996	0.4
209.11832	3.2
211.13332	2.1
227.13051	0.5
229.14519	0.9
232.07399	0.4
233.15448	2.2
245.02777	0.4
273.18579	9.8
289.21619	3.4
291.19659	0.9
309.20383	0.8
315.19638	24.7
316.19852	1.6
327.21756	9.5
327.25049	0.4
333.20697	100.0
334.21069	5.8
347.22321	4.1
375.21759	5.7
376.22168	0.5
435.23990	0.9
495.24597	30.3
496.24615	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47630	0.7
57.03442	2.2
59.01374	13.9
61.98822	6.1
69.03458	2.4
71.01390	4.0
71.56266	1.0
73.02941	2.2
78.95899	26.6
83.05010	1.1
85.02946	10.8
87.04516	2.6
89.02453	1.3
94.99062	0.7
95.05009	0.7
96.96017	2.2
97.02931	1.9
97.06578	3.2
101.02436	2.1
102.37369	0.7
103.03992	3.9
110.98529	21.2
112.69505	0.7
113.02473	1.3
115.00390	0.8
123.02973	0.5
123.08127	0.7
125.09710	1.1
127.11266	2.2
137.00197	0.6
137.09697	2.6
152.99573	0.9
155.10666	0.8
161.04501	1.2
165.12810	1.0
167.01132	13.5
167.14470	1.4
171.10268	32.0
172.10609	1.3
183.13898	2.8
185.02200	4.6
185.11777	1.1
193.12309	1.4
201.11284	1.3
209.11868	1.6
211.13373	18.4
212.13768	1.4
221.11887	2.3
229.14450	11.0
239.12863	2.1
243.75978	0.6
247.20546	1.1
291.19684	3.2
309.20630	1.0
326.68384	0.9
327.21741	51.3
328.22095	2.5
435.22369	4.4
443.97269	0.8
449.23047	1.0
450.69025	0.7
464.18213	1.4
467.52747	0.7
495.23700	100.0
496.24176	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	495.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03078	5.8
59.01376	100.0
59.24820	5.5
61.98824	14.0
64.53967	5.1
69.30988	16.2
69.31409	30.1
71.01364	20.4
72.68710	6.3
73.02928	16.3
78.95909	8.2
80.61555	5.8
85.02962	14.3
87.27498	5.8
89.02427	13.9
101.02456	8.7
110.93147	5.4
113.02437	11.5
138.43640	5.7
171.10260	7.4
208.63405	5.8
223.13403	11.9
327.21768	13.2
383.23279	6.3
435.23315	8.9
453.25385	6.3
495.19556	13.2
495.24518	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	494.9291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.7
71.01381	0.9
72.99294	1.8
78.95905	7.3
96.96020	11.1
96.96950	0.8
111.63108	0.7
113.06960	0.7
119.40496	0.7
131.05045	0.8
134.96097	6.8
136.94006	23.1
137.94106	0.7
150.98035	1.5
151.92696	1.5
152.91756	38.1
152.99567	3.1
167.90439	3.0
171.00603	3.2
178.95053	41.0
179.95154	1.9
192.95923	0.9
194.92801	76.3
201.02592	1.9
210.90773	0.8
212.93909	5.4
217.00243	1.7
226.88568	7.5
250.93710	1.3
252.91837	1.8
268.89618	13.7
292.94876	4.3
294.92920	9.5
296.88885	0.8
310.90649	34.4
330.84393	0.9
336.93958	52.4
337.94131	3.1
352.91693	100.0
353.91998	1.9
392.79282	3.2
399.99792	0.8
404.91629	0.7
423.76730	1.2
432.77158	2.1
434.80075	3.8
449.86963	0.8
494.92972	6.6
495.11111	4.8
495.26718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51787	0.6
59.01371	4.4
61.98832	6.5
69.42152	0.6
71.01380	2.8
71.54356	0.9
72.77569	0.8
72.99300	0.7
73.02966	0.6
76.62914	0.7
85.02949	0.9
88.98812	0.9
89.02450	1.7
96.96025	9.2
101.02469	0.9
107.05024	0.7
113.02470	1.1
126.90415	0.7
127.44533	0.6
134.03748	1.5
135.04526	100.0
136.04878	2.6
138.05563	0.9
149.04355	0.7
152.01199	1.6
163.04056	0.8
165.05542	0.9
167.03490	3.7
171.47905	0.6
179.03503	1.8
220.62419	0.8
271.10919	2.8
285.07703	0.8
297.09796	52.3
298.09958	1.7
326.78467	0.7
333.09976	0.9
495.12354	9.2
495.20511	0.9
496.12686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00059	0.3
59.01379	4.1
61.98830	100.0
71.01387	0.9
89.02426	0.8
96.96018	1.8
101.02479	0.9
103.51656	0.3
104.31001	0.3
107.01378	0.3
110.33047	0.3
113.02509	0.3
119.03517	0.3
127.91977	0.3
133.80530	0.3
136.07706	0.4
169.12329	0.3
209.11906	1.1
267.03027	0.4
268.03757	11.5
269.04514	3.5
271.10852	1.9
431.09787	15.1
432.10321	0.7
433.24579	0.7
434.24615	0.3
449.18445	0.3
457.23175	0.3
480.14365	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.6
57.03444	1.8
59.01379	100.0
60.01704	1.4
61.98817	9.8
68.16913	1.1
69.03422	1.3
69.57492	1.3
69.76077	1.3
70.73435	2.1
70.73756	2.5
71.01382	47.6
71.01779	2.7
72.99297	2.3
73.02921	6.0
75.00879	2.4
79.60751	1.2
82.95419	1.5
83.01381	4.0
85.02950	16.8
87.00873	6.0
87.04523	4.9
88.98846	1.5
89.02443	47.2
92.65792	1.4
95.01375	2.3
96.96030	2.0
97.02905	1.5
99.00886	1.9
101.02450	28.1
109.02952	1.4
113.02438	18.1
119.03497	19.8
119.05019	1.5
127.46676	1.1
131.03539	1.8
133.01343	1.4
133.05057	5.2
137.02437	1.4
141.09215	5.5
143.03487	4.2
149.04520	1.9
153.09180	2.6
155.10826	3.1
161.04567	13.2
166.74576	1.2
171.10254	8.6
179.05589	13.6
193.04901	1.3
195.06612	2.2
197.08253	1.5
199.09782	1.4
215.09201	15.2
239.12846	2.6
271.19049	6.1
357.13541	1.7
433.24411	78.4
434.24594	3.7
493.18259	4.5
493.26413	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	493.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90639	0.9
59.01383	9.6
61.98817	3.4
62.86252	1.3
63.96223	3.6
69.29340	1.1
69.41190	7.6
71.01382	6.3
73.02938	1.7
73.04077	1.0
76.97011	3.2
79.95723	4.5
80.91672	1.3
82.02966	4.5
82.95401	1.9
83.01371	1.4
83.02510	16.5
84.00906	12.4
85.02975	1.6
87.00883	1.3
88.98804	3.6
89.02433	4.0
96.00916	8.6
96.68984	1.2
96.96012	8.3
98.02469	14.0
99.05640	10.9
101.02431	1.6
109.04064	1.2
110.02471	10.4
111.02026	1.3
112.04014	5.7
113.02430	3.7
115.00362	2.7
119.03468	1.5
130.08736	41.3
133.02928	1.5
133.06580	8.6
133.65967	1.2
135.04518	46.3
137.02403	1.8
138.09242	17.9
139.05061	6.1
139.08807	2.0
145.02930	9.0
150.05428	1.2
151.05212	1.4
152.07170	7.1
153.07539	1.5
154.01443	5.6
156.06589	1.3
161.05974	1.4
163.04045	2.4
163.05432	7.9
165.05334	1.0
166.08629	1.7
169.09845	9.6
177.10248	1.6
179.03474	5.5
179.05522	2.1
179.11919	3.1
180.05370	3.7
187.10867	2.8
195.11398	1.6
203.03215	2.1
203.04976	26.6
205.09764	4.7
215.07094	2.8
223.10851	11.7
231.13493	2.0
233.08154	2.8
247.05905	1.5
257.05930	1.4
259.06009	2.9
261.05408	1.6
262.48044	1.2
267.09833	100.0
268.10254	4.7
277.07101	3.2
285.10907	1.6
293.11395	2.8
297.09784	18.6
298.10318	1.4
300.06528	9.9
311.12482	21.4
341.08606	6.2
367.15997	5.0
386.62115	1.1
395.13538	2.1
411.18710	4.8
431.16010	54.0
431.21869	3.0
432.16144	2.8
439.12427	14.4
457.13254	1.7
475.18622	46.9
476.18936	2.4
493.09387	1.9
493.19321	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	493.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.2
59.01378	100.0
61.98835	9.4
69.31420	2.2
69.31821	6.9
71.01379	44.0
72.99303	3.8
73.02943	46.7
75.00883	2.0
75.63976	1.1
83.01385	16.0
83.05052	1.8
85.02940	8.9
87.00861	1.2
88.98823	1.4
89.02436	16.2
95.01369	1.8
96.96024	1.3
97.02941	1.2
99.00903	1.4
100.04015	3.6
101.02438	42.3
102.02773	1.1
107.34268	1.0
113.02445	18.0
115.05115	2.1
115.83283	1.1
119.03520	7.2
120.99673	1.8
121.02946	1.3
125.02438	2.6
131.03490	3.8
135.04596	1.2
143.03497	4.9
144.03027	1.8
149.04543	7.7
155.03429	1.7
160.69017	1.1
161.04543	19.9
162.95352	1.5
177.02046	1.2
179.05588	4.1
195.46669	1.0
203.05463	1.4
221.06627	3.4
235.10844	1.9
245.09189	1.6
256.92834	1.2
271.19162	1.3
307.09216	1.7
331.13037	3.1
340.46848	1.2
433.24326	11.9
449.27484	2.5
492.79492	1.9
493.29233	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.7
58.27763	0.6
59.01378	100.0
60.01706	0.7
61.41400	0.6
61.98828	4.0
69.03473	0.9
69.27164	2.9
69.27599	2.5
71.01381	18.2
72.99342	0.7
73.02954	5.3
75.00906	0.8
83.01398	2.6
83.05035	1.0
85.02949	7.4
87.00893	1.5
89.02442	12.9
89.02941	1.1
90.40237	0.6
95.01406	1.2
96.96003	11.8
99.00890	1.4
101.02439	12.8
113.02448	7.8
119.03481	5.6
120.99623	0.6
131.03503	1.1
143.03543	1.4
149.04576	0.9
159.02913	1.2
161.04553	5.0
171.10304	0.8
179.05627	4.5
186.13956	0.7
203.05582	1.5
209.15472	1.2
229.12822	0.7
229.23827	0.6
271.19312	1.2
286.04330	0.8
287.04559	0.8
295.35208	0.6
371.20874	1.5
413.21649	2.9
433.24387	12.8
434.24741	0.8
452.03696	0.6
481.74420	0.7
493.11609	1.8
493.20294	1.0
493.26666	7.6
494.26572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	0.3
70.49681	0.7
70.50079	0.6
78.95904	100.0
83.73418	0.3
96.96955	7.8
124.70659	0.3
130.69519	0.3
140.01187	0.3
152.99585	19.3
154.28096	0.4
171.00639	21.3
214.04813	0.5
223.13161	0.4
312.92657	0.3
372.45505	0.3
418.23520	1.5
426.84027	0.4
492.27313	74.8
493.27597	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	492.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23411	0.7
56.81392	0.6
57.78372	0.7
59.01377	1.3
60.44107	0.8
61.80473	0.6
69.70654	3.5
69.71049	1.5
78.95905	34.9
96.96973	0.8
110.26270	0.7
113.09727	2.8
122.00121	1.5
140.01193	9.5
152.99586	2.9
179.14424	1.4
195.13895	21.8
196.03810	15.1
196.14232	0.8
214.04871	4.2
239.07875	0.7
262.45511	0.8
277.21704	20.7
278.22021	1.3
295.22775	100.0
296.22989	4.0
363.72171	0.7
378.61661	0.7
387.71942	0.8
492.27301	86.4
493.27524	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	493.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97827	0.2
55.21720	0.2
59.01379	1.4
61.98825	0.6
69.67117	1.2
71.01379	4.5
72.99314	0.3
89.02440	0.7
89.40979	0.2
91.05470	0.3
96.96032	0.7
98.19855	0.3
101.02415	0.4
103.37647	0.2
107.05047	0.9
113.02464	0.6
115.00374	4.7
131.07109	1.0
134.03717	1.2
135.04521	100.0
136.04852	2.0
153.05562	1.2
179.03490	11.1
198.80998	0.2
267.09830	0.3
297.09778	36.5
298.09943	1.4
333.07547	1.2
341.08749	14.6
342.08963	0.6
377.06354	0.7
415.41501	0.3
430.10907	0.3
433.24362	0.3
457.09601	0.5
480.47971	0.3
493.07486	0.6
512.71869	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.9
61.98533	0.5
61.98832	6.2
69.91656	1.1
71.01381	5.8
72.00780	0.4
73.02947	0.4
73.49387	0.3
85.02979	0.6
87.00906	0.4
88.98811	0.6
89.02438	2.1
96.96009	16.0
101.02481	1.5
102.89133	0.3
105.36112	0.3
107.05014	0.9
113.02415	0.9
115.00364	4.1
119.03493	0.5
119.05073	0.4
134.03709	1.3
135.04521	100.0
136.04828	2.0
138.01967	0.5
138.05612	1.7
139.05901	0.5
149.06082	0.4
151.03963	0.5
153.05530	0.9
179.03490	10.6
179.05295	0.6
179.05641	0.5
180.03867	0.4
195.10239	1.1
195.43318	0.4
256.24707	0.3
268.59195	0.3
297.09778	34.7
298.10138	0.9
330.46747	0.3
333.07443	1.8
341.08743	10.7
342.09164	0.6
351.97275	0.3
377.06345	0.3
432.15109	0.5
433.15601	1.1
457.09668	0.5
475.18619	0.4
493.19229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98829	18.9
69.45313	26.2
71.01376	34.9
73.02934	15.4
81.36707	3.2
83.01340	4.2
84.79664	3.3
85.02941	8.8
88.03739	3.6
88.98823	3.6
89.02442	32.2
99.00871	7.8
101.02454	21.1
113.02423	10.1
119.03526	6.3
125.02438	19.2
148.05246	5.6
148.35561	3.5
149.04520	8.7
157.57788	3.8
161.04599	4.4
165.50703	3.6
189.92053	3.4
191.05753	3.7
233.06625	12.7
248.32759	3.7
293.08752	64.9
431.09665	3.4
433.23996	9.3
457.17245	6.5
493.14902	24.7
493.30499	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	491.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	70.9
61.98812	7.4
67.10508	4.2
71.01384	49.9
71.55949	10.5
71.91505	5.5
78.95895	5.2
89.02451	60.8
96.96007	14.1
101.02431	17.6
113.02409	16.5
119.03527	7.7
125.34019	4.9
151.11435	5.0
161.04552	5.4
171.10298	5.9
179.05600	10.8
184.85622	4.7
197.11848	5.8
211.13324	10.9
225.04465	5.4
233.37723	5.0
267.09137	7.2
269.07037	7.4
293.21240	11.8
295.08368	4.8
309.10190	42.4
309.20523	17.4
311.22266	100.0
393.21686	6.2
409.18832	16.5
418.68686	5.0
479.01785	5.4
491.24445	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	491.2863
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
53.15972	0.4
55.01864	0.6
57.03435	1.1
58.00597	0.7
59.01379	30.0
61.98825	1.4
69.03455	0.6
69.68615	2.1
71.01382	14.6
71.01774	0.9
72.99303	1.7
73.02940	1.8
83.01384	2.0
85.02938	4.3
87.00874	1.9
89.02444	7.4
95.01385	1.3
96.96011	1.8
98.95605	1.1
99.00890	0.7
99.92565	1.9
101.02434	8.0
113.02444	4.2
115.00375	1.5
115.92056	1.6
116.92857	9.4
119.03506	2.3
124.01639	0.5
127.11320	0.5
133.01456	1.1
133.02950	1.2
134.03706	1.7
135.04524	0.9
137.02464	0.5
144.18811	0.5
161.04572	0.7
170.93933	0.6
171.10310	0.7
178.02763	1.0
183.13866	0.8
190.06355	0.7
211.13445	4.0
211.92140	0.5
229.14404	2.0
253.68242	0.5
265.98441	0.5
268.92676	0.4
269.21277	0.8
275.09241	1.1
287.22311	5.9
293.10315	1.2
293.21188	6.5
293.73993	0.4
311.22351	3.0
316.01984	0.6
329.23398	7.6
346.77740	0.5
431.26465	3.7
449.27515	8.5
450.27878	0.6
473.27670	0.7
491.28583	100.0
492.28989	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	491.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28148	1.5
59.01367	12.0
61.98839	3.3
67.11413	2.2
69.18925	18.6
71.01376	8.5
78.95896	23.5
85.02947	2.8
87.73351	1.8
89.02441	6.0
92.15339	1.9
101.02435	8.2
103.24374	2.5
110.98579	1.8
111.08138	14.6
134.03741	2.1
152.99573	6.4
167.01096	2.1
169.12314	2.3
171.00571	4.3
171.10208	2.1
181.07169	33.0
197.11818	56.8
198.12155	3.6
211.13362	8.2
237.36259	2.1
243.58264	2.1
263.20139	2.3
291.19739	13.9
309.20700	100.0
310.20895	6.2
311.22043	3.6
323.22214	5.2
488.90103	2.2
492.27359	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	491.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.1
57.03452	0.9
58.00606	0.7
58.94012	0.4
59.01379	60.5
61.98829	1.3
69.03464	0.5
69.24513	1.2
69.24935	2.7
71.01379	12.5
72.99297	0.7
73.02946	4.9
83.01390	2.8
85.02948	6.2
87.00879	1.2
89.02433	2.8
89.39394	0.4
95.01413	1.0
96.95998	0.9
97.02929	0.4
98.20639	0.9
99.00882	2.3
101.02441	11.7
111.00897	1.0
111.18607	0.4
113.02466	4.2
115.00346	0.4
116.92868	0.8
119.03539	0.7
125.02425	0.5
125.09722	0.5
131.03503	0.5
133.01434	0.5
143.03464	0.5
149.04561	0.6
153.12837	0.8
161.04561	1.3
180.32413	0.4
197.11766	1.0
253.14494	0.4
269.17404	0.6
371.20853	0.9
375.27414	1.3
431.21527	0.4
431.26910	4.1
449.27686	1.1
473.27649	3.7
491.28604	100.0
492.29001	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	491.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05011	0.5
55.01876	1.0
57.03423	1.6
58.00589	0.8
59.01377	61.3
61.98825	4.6
69.03462	0.6
69.37381	1.9
69.37810	1.8
71.01378	14.7
71.05006	0.9
72.99312	1.1
73.02953	4.0
75.00871	1.0
83.01392	3.6
85.02953	5.7
87.00862	1.7
89.02435	5.2
95.01382	2.1
96.96038	1.0
97.02975	0.8
99.00879	1.6
101.02443	9.4
111.00874	0.6
112.56481	0.4
113.02444	6.1
115.00385	0.9
115.03997	1.9
116.92815	0.5
119.03473	1.4
125.02466	0.8
127.14565	0.5
131.03435	0.8
134.03777	0.6
134.07800	0.5
135.04514	0.5
143.03552	0.8
151.11124	0.4
155.10779	3.1
161.04498	2.6
167.10767	1.1
171.10274	1.3
177.09195	1.3
185.11760	0.7
193.04985	0.6
193.12263	0.7
195.08472	0.9
195.10248	16.6
196.10631	0.6
199.09790	2.7
211.13362	3.0
220.51959	0.5
253.09239	2.1
285.04001	0.6
293.21252	0.6
299.01846	0.5
311.22250	4.4
313.03598	0.6
329.06665	1.0
329.10245	1.2
329.23233	5.2
371.20715	4.0
389.21771	0.6
431.22830	2.0
455.26443	2.0
468.79819	0.5
472.73840	0.5
473.27466	7.6
474.27890	0.6
491.28583	100.0
492.28979	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	491.2665
Annotation	Mucronine B
Peak:m/z	Relative Intensity
54.60946	0.7
59.01353	2.7
61.98832	1.8
62.70563	0.7
66.03474	1.1
71.01354	2.1
71.02490	3.0
71.55608	0.8
87.36772	0.6
96.95981	1.0
110.03603	1.6
115.08768	10.2
116.05054	2.4
118.06609	3.2
125.07193	2.7
126.05580	1.6
134.03731	1.7
141.06682	3.6
146.06120	8.4
152.08270	1.2
168.07788	1.6
169.13469	0.8
170.09337	2.5
173.07112	1.0
174.05667	1.4
179.11890	4.1
197.08157	1.0
197.12976	0.9
200.10857	1.3
202.12346	1.0
211.07703	0.7
214.15622	3.8
215.03035	0.7
217.13472	1.6
224.14037	0.6
227.11859	2.6
228.10301	2.8
240.07703	1.2
245.12907	3.3
259.73877	0.7
262.15582	2.3
291.19513	0.9
309.10217	1.3
309.20712	3.3
311.22336	1.2
326.18640	5.3
326.66547	0.7
344.19788	2.5
375.18051	1.8
491.26614	100.0
492.27048	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	491.2859
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
55.01866	0.5
57.03440	0.5
58.00587	0.7
59.01377	51.1
61.98834	0.8
64.12440	0.3
69.29554	2.7
71.01378	13.9
72.99310	1.0
73.02943	0.8
75.00866	0.6
83.01382	1.1
85.02951	2.3
87.00869	0.8
89.02440	10.8
95.01385	1.2
96.96011	1.2
99.00840	0.5
101.02436	8.6
113.02447	4.7
115.00362	0.3
119.03481	3.4
122.02468	0.4
134.03719	0.3
137.02481	0.3
143.03525	0.3
161.04568	0.5
162.44077	0.4
179.05650	0.4
311.22198	3.9
313.23770	1.1
329.23215	2.2
431.21982	0.6
431.26968	0.8
449.27612	0.5
473.27478	2.1
491.28558	100.0
492.28922	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	491.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	17.4
61.27552	1.7
61.98833	2.1
69.03471	2.7
71.01381	22.3
71.10325	2.7
71.10661	2.0
72.20387	1.7
72.99316	1.9
73.02943	4.2
78.91901	1.9
78.95902	97.5
83.01340	1.7
85.02941	4.6
85.31531	1.7
89.02447	16.5
96.95980	1.8
96.96951	5.6
97.02941	6.6
97.06578	1.7
101.02453	18.9
105.15438	1.7
113.02429	3.0
119.03512	4.6
123.37561	1.4
125.09664	2.2
134.03751	2.1
147.94571	1.6
152.99571	18.9
163.06067	4.9
165.12827	4.1
167.01012	2.0
171.00632	21.5
171.10223	3.5
181.07172	100.0
182.07448	2.2
185.70068	1.7
187.49361	1.7
193.54211	1.9
197.11760	3.4
227.12849	2.2
247.20677	3.2
273.18668	2.1
291.19632	28.6
295.22723	9.8
309.17188	3.2
309.20691	54.2
310.20801	2.5
323.22244	9.7
344.71497	1.7
355.67389	2.2
418.23636	2.4
491.24271	11.9
491.35239	9.8
492.27325	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72256	0.5
56.76154	0.5
59.01385	3.6
61.98824	2.8
69.75952	1.5
69.76359	0.8
71.01394	1.3
72.84736	0.6
78.17213	0.4
78.95901	100.0
96.96002	0.6
96.96950	8.1
99.07056	0.5
122.98499	0.8
125.00090	1.4
135.04498	0.7
140.01178	1.8
152.99573	22.3
163.07675	1.5
167.00954	0.5
171.00632	23.5
174.05580	2.2
175.44817	0.5
176.03526	0.8
182.02245	1.7
187.76784	0.5
195.13873	3.8
196.03802	1.2
197.02162	0.8
202.08861	0.5
203.09535	2.0
205.12383	0.6
214.04738	2.9
220.06036	0.4
223.13382	3.6
225.14969	0.5
227.10303	0.5
246.11383	2.6
247.12192	2.4
256.13193	0.6
265.12985	0.7
268.05865	1.1
275.20178	1.9
293.21201	44.1
294.21515	2.4
296.09137	0.8
323.22293	0.7
352.15317	1.3
372.86606	0.5
373.16714	0.9
374.16556	0.8
378.16769	0.8
392.18463	4.7
416.21921	1.7
421.18784	1.1
452.07324	0.5
490.25723	92.9
491.26202	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	491.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01111	0.5
59.01381	7.0
60.99305	14.6
61.98829	4.5
71.01388	3.8
71.54382	0.7
73.02946	2.6
73.62452	0.5
75.00854	0.9
83.01374	0.7
85.02946	1.2
85.33833	0.4
87.00854	1.5
88.00414	0.8
88.98804	100.0
89.01914	0.9
89.02441	8.4
89.99077	0.4
96.95983	0.7
101.02444	3.4
113.02448	1.4
117.00433	0.5
119.05055	0.5
149.09753	0.6
153.67082	0.5
160.07678	0.5
161.04587	1.1
167.10785	1.2
173.73799	0.5
218.26268	0.5
226.23914	0.5
269.10397	0.7
401.14505	6.2
404.48798	0.6
491.03769	0.7
491.17740	0.5
491.20734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07621	0.3
59.01380	10.5
60.01706	1.3
60.20751	0.3
61.01791	0.4
61.98829	0.4
69.32218	0.8
69.32643	1.7
71.01366	1.5
73.02951	0.3
78.95878	0.7
79.95734	3.7
85.02919	0.4
89.02460	0.5
96.96011	100.0
101.02426	0.6
113.02499	0.5
125.71507	0.3
140.41768	0.3
153.09158	0.4
214.14305	0.3
305.33139	0.3
371.19580	0.6
431.22052	1.3
490.30527	3.5
491.14276	0.5
491.30914	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	490.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97847	0.3
59.01384	0.4
61.98827	0.6
65.65282	0.3
69.48812	0.3
70.30161	1.4
78.95902	100.0
96.96955	7.7
108.82512	0.3
122.98631	0.4
140.01128	0.5
152.99582	18.2
171.00638	19.1
189.66771	0.3
214.04814	0.5
230.77924	0.3
289.18158	0.6
290.18506	0.8
293.21164	1.1
340.54663	0.3
398.21088	0.4
416.21756	1.7
490.25742	65.9
491.26062	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	490.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.4
59.48724	0.6
61.98835	3.1
61.99108	0.7
70.74380	0.8
70.74699	1.1
71.01373	1.7
78.95904	51.1
80.57935	0.6
88.82280	0.6
96.96964	1.3
122.00133	2.0
122.98520	1.0
131.61691	0.7
134.98558	0.7
140.01190	13.1
152.99585	5.6
162.82103	0.6
162.82510	0.7
162.83887	5.9
163.07701	0.9
167.10712	0.9
171.00639	1.9
177.12860	0.8
179.14351	1.2
181.12305	0.7
195.13913	15.1
195.15611	0.6
196.03781	19.6
196.05542	1.0
196.14409	1.7
197.04132	0.7
205.12317	2.0
205.15955	1.3
211.13293	1.1
214.04857	4.5
223.13374	12.8
224.61270	0.7
228.13660	2.0
239.12848	0.7
247.11992	1.0
256.13168	2.7
265.21878	0.9
275.20132	6.6
293.21216	97.8
294.21521	4.4
323.21976	1.0
374.16510	0.9
421.18555	1.7
454.08032	1.0
490.25739	100.0
491.26059	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	490.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82132	0.3
57.03430	0.6
59.01101	0.5
59.01382	6.4
61.98825	3.0
64.56691	0.4
69.03463	0.4
69.17264	4.0
71.01374	2.0
73.02943	1.4
74.77849	0.3
78.03482	3.6
85.02975	0.7
88.26955	0.4
89.02421	0.9
95.01395	0.5
95.30637	0.3
96.96006	0.6
97.02953	8.0
101.02456	1.4
113.02446	0.5
114.77248	0.3
122.02479	100.0
123.00874	2.9
123.02832	1.9
137.02399	0.4
137.09714	2.0
141.01947	0.4
155.10773	35.9
156.11095	0.9
161.04561	0.4
166.99799	0.4
185.01022	0.5
199.09744	42.5
200.10092	1.4
246.04128	0.4
264.54828	0.4
267.94852	0.4
290.03082	6.6
318.43613	0.3
360.50641	0.4
490.13440	1.6
490.26569	2.5
491.28558	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	489.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24449	0.2
57.03462	0.9
59.01379	6.2
61.04045	0.2
61.98840	0.4
69.03466	0.4
70.86945	0.2
70.87266	0.4
71.01378	7.9
71.01769	0.4
73.02967	0.8
77.34206	0.2
83.01418	0.3
83.05053	0.2
85.02978	0.6
89.02415	0.4
95.38864	0.2
96.96014	5.2
97.06577	0.3
101.02464	0.6
107.61512	0.2
108.72698	0.2
113.02472	0.7
115.00364	7.1
115.01143	0.4
116.00742	0.3
122.02505	0.2
123.08186	0.5
125.09701	1.8
127.11319	1.1
135.04530	0.3
137.09706	1.1
141.09250	0.3
142.33040	0.2
143.10748	0.4
149.72191	0.2
153.09219	0.5
153.12869	0.5
155.10770	1.4
157.14835	0.2
158.24480	0.2
167.26093	0.2
171.10260	5.4
185.11879	0.3
187.07512	0.3
201.14899	0.2
229.14455	0.8
230.15076	0.5
275.09167	0.4
281.98822	0.3
284.03253	0.6
285.03989	0.5
309.20819	0.4
327.21844	0.5
343.24954	0.4
355.24713	1.8
371.24231	1.5
372.24496	0.3
373.25897	100.0
374.26251	5.7
415.10449	0.3
428.30359	0.2
429.25180	0.5
445.07889	0.5
447.25836	0.4
489.10208	0.7
489.26913	8.2
490.27618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58641	0.5
57.33693	0.5
59.01377	13.8
60.01696	0.6
61.98826	4.9
69.03442	3.5
69.25452	1.0
69.25858	3.6
71.01379	4.2
72.99302	0.5
73.02958	3.0
78.03498	0.9
79.01893	0.9
83.01417	0.7
85.02966	1.2
87.00844	0.6
89.02451	2.3
95.01370	1.7
96.96002	1.4
97.02949	47.4
98.03279	0.6
99.00845	1.0
101.02432	2.5
106.70313	0.6
107.01430	0.5
113.02458	1.6
115.00334	0.7
119.03508	0.6
122.02475	32.0
123.00861	1.8
123.02844	0.8
133.02966	1.9
133.82835	0.5
134.03337	0.6
135.04498	0.6
135.08195	1.0
137.02480	0.6
137.09718	6.4
141.01932	0.8
151.00334	1.1
155.10771	89.0
156.11064	2.4
161.04494	0.9
184.10721	0.5
185.00899	1.0
199.09741	100.0
200.10155	3.4
204.10248	0.6
211.13469	0.5
284.03143	0.8
285.03967	12.9
286.04352	21.6
308.04150	2.1
360.68167	0.5
455.22531	0.5
489.26993	1.7
490.10519	6.5
490.27408	6.4
491.29025	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	489.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.4
57.03445	7.8
58.00602	1.9
59.01377	100.0
60.01714	1.1
61.98825	1.7
67.01893	1.8
68.99569	0.9
69.03445	3.9
70.51563	2.1
70.51962	0.5
70.52055	0.6
71.01381	68.2
72.01700	1.1
72.99303	4.7
73.02946	15.7
75.00883	1.7
79.95760	1.3
83.01389	8.4
84.02171	1.2
85.02949	42.3
85.06641	0.9
87.00883	7.2
89.02447	20.8
93.03449	0.8
95.01380	10.7
95.01926	0.9
96.96009	32.2
97.02941	8.7
98.20605	0.9
99.00875	14.8
99.04546	0.8
101.02443	25.8
101.03103	1.5
107.13935	0.7
109.02967	2.3
111.00858	4.6
111.04484	0.9
112.01682	1.7
113.02449	58.9
115.00363	2.2
115.03981	1.6
119.03493	4.1
121.02970	1.9
123.04559	0.8
125.02446	5.5
127.04028	1.2
129.01939	1.9
131.03476	4.5
133.01456	1.7
133.02977	1.4
134.03761	2.0
135.04576	1.6
137.02448	3.1
143.03494	6.4
143.10857	0.8
145.05054	0.9
149.04561	10.0
159.03038	3.2
161.04539	16.3
171.77519	0.7
173.04581	1.8
187.07739	1.2
191.05666	2.9
197.15495	2.2
204.04700	0.7
215.05634	2.1
227.59496	0.8
231.10352	2.0
233.06761	1.4
249.15051	1.0
257.06305	0.7
275.09406	2.7
284.03241	0.9
299.25919	1.9
315.18161	6.6
329.16901	1.1
336.04544	0.8
345.30069	6.4
357.19159	4.2
373.16110	1.3
429.21234	36.0
430.21933	2.0
445.08142	4.9
447.22302	70.6
448.22421	3.9
489.10242	1.2
489.26749	7.9
489.34570	26.9
490.34726	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	489.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22565	0.4
57.03476	1.8
58.00615	0.5
59.01378	29.2
61.98825	4.8
63.99276	0.6
69.03485	0.7
71.01379	15.6
71.05022	0.4
71.56241	0.6
72.99318	0.7
73.02991	1.8
74.46897	0.5
75.21937	0.4
76.82003	0.5
83.01418	0.7
83.05077	0.5
85.02939	2.7
87.00916	1.8
87.04604	0.5
89.02441	4.7
95.01421	0.5
96.96008	13.4
97.03004	0.7
97.06628	0.7
99.00922	0.6
101.02425	5.6
112.98602	0.5
113.02463	2.5
115.00370	8.4
119.03548	1.7
121.06619	0.5
123.08193	0.7
125.09756	1.6
127.11369	1.5
133.01479	1.4
133.02989	0.7
134.03766	1.0
135.04628	0.6
137.09776	1.5
155.10844	2.1
161.04572	0.6
171.10284	5.6
172.05284	0.6
179.52365	0.4
211.13515	0.6
229.14508	1.5
230.15329	0.9
231.10219	0.7
267.53125	0.5
268.03711	1.1
284.03284	1.9
285.03961	1.9
285.17181	0.5
285.20465	0.5
291.19760	1.4
309.20688	1.8
313.13440	1.1
327.21851	1.9
355.24777	1.8
371.24573	1.3
372.15259	0.8
373.16360	2.5
373.25906	100.0
374.26239	6.3
393.79965	0.5
415.10071	0.7
445.08023	1.4
489.10803	3.1
489.26886	37.3
490.27393	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.6
57.03445	2.5
58.00598	0.7
59.01379	100.0
59.41189	0.4
60.01719	0.9
61.98825	1.5
66.10007	0.4
69.03453	1.3
70.63367	1.1
71.01382	48.8
71.05019	0.5
72.88591	0.4
72.99306	2.8
73.02945	22.6
73.05488	0.5
75.00856	1.4
78.17992	0.4
79.95732	0.6
81.03478	0.7
83.01375	6.0
85.02948	21.0
86.11569	0.4
87.00869	3.6
89.02441	11.3
93.35693	0.4
95.01380	3.6
96.96007	18.9
97.02955	3.1
99.00878	16.6
99.04494	0.6
101.00237	0.5
101.02438	28.3
111.00881	2.3
112.01650	0.7
113.02449	23.5
115.00408	0.5
115.03964	0.5
119.03485	2.5
121.02928	0.8
125.02441	2.8
127.04100	0.4
129.01923	1.8
131.03510	3.2
133.01466	0.9
135.04475	0.5
139.03989	0.6
143.03510	3.3
149.04503	0.9
153.12755	0.6
159.03018	3.7
161.04539	16.4
191.05534	1.3
201.04092	1.0
202.13799	0.4
213.39354	0.5
231.10179	0.6
275.09131	0.5
284.50800	0.5
285.03922	0.7
297.16980	1.3
315.18091	15.8
316.18347	0.6
329.16544	0.5
357.19217	4.2
359.05389	0.5
373.25943	0.8
429.21198	9.2
433.49020	0.5
445.07962	0.8
447.22311	48.5
448.22607	3.4
448.58374	0.5
465.71219	0.5
489.23245	70.7
490.23660	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	489.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02209	0.3
54.03128	0.3
59.01379	100.0
60.01710	0.7
61.98826	0.3
67.43198	0.5
70.91989	0.7
70.92345	0.4
97.42136	0.3
101.02466	0.5
194.20323	0.3
207.13840	0.5
264.76886	0.4
429.21411	0.8
471.15546	0.4
489.16461	0.9
489.23419	0.5
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
53.19135	0.3
53.48797	0.3
54.21600	0.4
59.01377	100.0
60.01712	0.6
69.74684	1.5
71.01391	1.7
73.02953	0.8
76.31889	0.3
77.79098	0.4
82.67516	0.3
85.02985	0.8
86.88316	0.4
89.02429	0.6
92.74823	0.4
97.02956	0.4
101.02449	1.4
113.02457	1.1
131.03514	0.3
138.06857	1.1
153.09204	3.8
161.04596	0.7
163.06172	0.8
217.70822	0.3
225.14932	7.1
255.39792	0.4
305.65402	0.3
369.19180	8.1
369.23648	0.6
370.19397	0.6
387.20239	1.6
429.21271	10.5
430.21686	0.8
489.23694	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	93.4
61.98856	1.1
63.96252	1.3
66.10712	0.7
69.03445	0.6
71.01376	9.6
72.99307	1.5
73.02949	3.0
78.98591	3.9
79.95732	7.5
80.96516	49.3
85.02956	2.2
87.00871	2.2
89.02431	3.8
94.98079	12.2
96.96018	2.7
97.02966	2.1
99.00883	2.9
101.02426	4.6
106.98090	2.4
113.02450	2.0
115.00376	0.9
115.06429	0.7
120.02902	0.7
121.14281	0.6
122.97587	3.0
125.02444	3.4
134.97565	3.8
136.99149	1.2
148.99107	5.3
149.04541	2.4
152.98622	5.3
161.04558	1.8
164.98621	10.4
171.10233	4.6
191.05611	1.0
195.06754	0.8
206.99698	3.1
225.00745	19.2
253.14374	1.0
281.90411	0.9
284.03229	1.7
285.04028	1.5
289.84613	0.8
299.04410	3.8
429.21323	1.2
451.21945	8.2
453.22195	1.6
471.15387	49.2
472.15445	2.2
489.16437	100.0
490.16580	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	489.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23721	0.5
59.01379	100.0
60.01699	0.9
61.98840	1.6
63.96254	0.5
64.11272	0.4
67.74124	0.5
69.14122	0.5
70.68784	1.4
70.76437	0.4
71.01380	7.2
73.02949	2.1
75.00892	0.8
78.98579	3.0
79.95730	6.0
80.96516	34.5
81.03443	0.9
83.01418	0.6
85.02952	2.6
85.70741	0.5
87.00871	2.0
89.02449	1.2
94.98088	9.5
96.96021	2.8
97.02949	1.3
99.00852	1.1
101.02455	3.8
106.98102	1.9
113.02464	1.4
115.00392	0.6
122.97606	2.2
125.02410	2.3
127.04047	0.5
133.01393	0.8
133.64520	0.5
134.97586	1.8
135.04555	0.6
136.99153	1.3
143.03387	0.6
148.99141	3.8
152.98604	3.3
152.99626	0.5
161.04593	1.2
164.98631	7.4
165.05498	1.0
171.10245	3.1
179.03459	0.7
206.99754	2.3
225.00725	12.9
299.04440	2.6
339.68069	0.6
429.21094	1.4
471.15396	31.6
472.15628	1.5
489.16415	64.3
490.16647	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	488.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82160	1.3
59.01371	7.2
61.98835	100.0
65.85255	1.3
69.60448	8.2
71.01379	3.0
84.36671	1.2
87.80226	1.2
89.02442	2.1
93.38254	1.2
94.68378	1.3
96.96021	2.8
130.60796	1.2
133.19647	1.2
164.11935	1.5
164.83629	3.7
195.85008	1.6
409.71970	1.4
442.34134	4.0
452.32446	2.2
453.33780	2.3
454.34000	15.1
488.34430	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	489.1034
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01378	17.1
60.01723	0.1
61.98833	0.6
63.02392	1.7
65.00302	0.9
69.20966	0.2
69.21380	1.0
72.23010	0.1
73.02946	0.3
83.01376	1.5
85.02969	0.3
89.02444	0.3
92.17727	0.1
96.96023	1.8
98.19871	0.2
101.02512	0.2
105.03465	0.3
107.01382	3.0
108.02156	0.1
109.02952	0.5
113.02448	0.2
115.00393	0.2
119.03487	0.2
119.05030	0.1
121.02954	0.5
125.02449	0.2
132.02203	0.4
133.01451	0.2
133.02946	4.7
134.03751	1.5
135.04515	0.7
135.72632	0.1
145.03032	0.2
146.03714	0.1
147.04541	0.2
148.01657	0.7
149.02437	1.6
149.99556	0.5
151.00356	6.4
161.02477	0.2
163.00348	0.3
167.04939	0.1
169.06490	0.2
171.04507	0.5
173.06102	0.1
174.03181	0.2
175.03979	1.7
176.01134	0.1
177.01871	0.2
179.03543	0.7
183.04500	0.7
184.05193	0.3
185.02406	0.2
185.06055	0.4
187.03987	0.5
188.04800	0.4
189.05405	0.1
195.04524	0.4
197.02350	0.1
197.06078	0.3
198.03185	0.2
199.04019	2.3
199.05800	0.2
200.04767	1.0
201.01945	0.6
211.03969	1.3
212.04720	0.3
213.05551	0.3
214.02727	0.3
215.03445	0.4
216.04271	0.2
217.05072	1.1
226.02788	0.2
227.03487	2.6
228.04182	0.3
229.04988	0.3
239.03496	0.9
240.04172	0.2
241.05049	0.8
243.02924	0.4
255.02971	1.9
256.03729	5.5
257.04410	0.4
267.02948	0.4
269.04474	0.4
280.25534	0.1
283.02429	1.2
284.03241	83.1
285.04004	100.0
286.04370	3.7
297.03943	0.4
299.05643	0.3
327.05054	1.2
373.09335	0.2
387.20294	0.2
426.40393	0.1
429.08179	0.5
429.21054	0.3
447.09177	0.3
489.10333	98.3
490.10709	6.4
490.16370	0.1
490.18024	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09719	0.3
57.03446	0.3
59.01379	14.4
61.98829	100.0
62.38227	0.3
69.86478	1.3
71.01393	2.4
73.02958	0.6
78.95895	1.6
83.05045	0.5
85.02957	0.8
89.02444	1.3
96.96008	6.4
99.00885	0.3
101.02441	1.0
107.05067	0.4
113.02458	0.5
113.12098	0.3
115.00378	1.0
118.64368	0.4
121.02966	0.8
133.01421	1.2
134.03717	0.4
135.04532	2.1
136.01677	0.4
151.04030	0.4
152.99600	1.9
153.99905	0.4
154.40881	0.3
161.04578	0.4
163.11293	0.5
164.11636	0.3
176.11691	0.4
179.03448	2.5
205.12334	1.2
206.12674	1.3
209.11807	2.9
210.12112	3.5
225.14919	0.3
228.13145	0.6
259.70258	0.4
265.14432	0.5
266.14740	0.6
327.12485	0.6
373.09415	0.5
456.17322	0.9
488.19696	5.3
509.12296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13416	0.3
58.00597	0.6
69.79662	1.4
69.99949	0.3
71.05014	1.6
76.83755	0.3
83.05014	0.4
102.28590	0.3
107.11745	0.3
107.47682	0.3
130.97522	0.4
295.00931	0.3
365.99741	0.3
369.28104	0.5
377.28366	0.4
393.31854	0.7
405.31778	0.3
421.31036	0.5
423.32672	1.0
427.32172	1.2
436.23898	0.4
437.30524	1.2
439.32590	0.5
443.35220	0.8
467.31693	2.7
469.33224	13.9
469.39914	0.7
470.33765	1.1
487.34290	100.0
488.34625	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	487.343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99866	0.4
53.35225	0.4
58.09354	0.5
58.25446	0.4
59.01370	1.5
61.98811	1.1
63.44343	0.5
63.84152	0.4
71.05025	1.3
71.47540	0.7
96.96011	1.7
154.91859	1.0
164.08189	0.5
178.20149	0.5
218.97699	0.5
250.86823	0.5
391.57126	0.5
393.31369	0.7
405.16016	0.8
405.31616	1.2
409.31332	0.9
427.32016	1.6
443.34869	0.8
457.33167	0.7
469.33215	11.5
487.34302	100.0
488.34674	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	487.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.2
58.04120	0.2
59.01367	0.5
59.06766	0.2
60.99285	0.3
61.98818	0.5
65.21233	0.2
65.41299	0.2
68.14661	0.2
69.03443	0.2
70.77737	0.5
71.01379	0.4
71.05021	15.4
87.00874	0.2
90.97491	0.2
96.96010	0.6
108.15839	0.2
110.83189	0.2
111.85452	0.2
112.95998	0.2
133.02977	0.5
135.04532	1.6
154.91869	0.3
177.01776	0.2
177.04076	0.3
178.02669	0.2
179.03540	0.8
197.06068	0.4
255.06743	0.2
256.07202	0.2
270.82205	0.2
287.92221	0.2
290.68613	0.2
309.20679	0.5
351.26904	0.3
353.28482	1.3
371.14871	0.4
371.29437	0.4
373.27490	4.6
374.27908	0.4
389.61032	0.2
397.27402	0.9
405.31738	0.3
409.31042	1.0
443.24359	0.4
469.33066	0.4
487.34277	100.0
488.34659	8.2
488.41751	0.4
502.27298	0.2
513.57941	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3427
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
59.01377	1.0
61.98830	0.7
71.05021	1.4
71.55492	0.7
91.22114	0.5
93.71263	0.5
96.96024	0.6
97.67454	0.4
106.11714	0.4
125.01913	0.4
134.03697	0.6
135.04530	0.8
136.01727	0.5
136.50591	0.6
153.05606	0.6
168.96078	0.5
255.02826	0.5
258.46677	0.5
291.19620	0.9
303.02811	0.6
405.31805	0.6
427.31958	1.2
457.33081	0.8
467.31433	0.5
469.33191	19.3
470.33456	1.4
487.34283	100.0
488.34586	8.3
507.20483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	1.1
59.01383	100.0
61.98835	1.7
66.46191	1.1
70.02908	4.5
71.01384	8.1
71.32759	1.0
72.99307	1.2
75.00892	2.9
85.06628	1.2
89.02450	15.1
99.00902	5.6
109.06602	1.9
111.08157	1.5
117.00681	1.1
117.01953	12.9
124.26662	1.0
135.02797	1.1
139.11279	3.7
151.45035	1.0
152.51593	0.9
158.40726	1.0
162.83934	1.1
163.37177	1.0
172.44290	1.1
190.07684	1.0
202.38004	1.0
208.47762	1.0
211.13426	14.7
277.21768	1.2
425.34686	2.0
439.32474	1.2
441.33725	3.9
443.29642	1.3
443.35519	3.4
469.33124	11.6
487.34427	29.9
488.34634	3.2
490.05298	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
57.03454	0.7
57.11034	0.4
57.80171	0.4
58.00591	0.9
59.01379	68.8
61.98831	3.4
69.03452	0.9
69.29199	2.4
69.29628	1.7
71.01382	22.4
72.99313	1.2
73.02965	1.8
73.21396	0.4
83.01404	1.3
83.05054	0.7
85.02951	5.7
87.00872	6.0
89.02443	13.5
94.98144	0.5
95.01397	1.5
96.96012	3.0
97.02950	2.4
97.06578	0.5
99.00890	0.9
100.21550	0.5
101.02437	11.3
102.05603	0.6
113.02441	6.7
115.00350	2.9
119.03493	5.5
119.04978	0.5
119.08691	0.7
121.02988	0.5
122.02471	5.1
128.03514	2.2
131.03499	0.5
133.01451	1.6
137.09770	0.8
143.03542	0.6
147.11786	0.7
149.04504	0.6
151.00410	0.5
153.09123	0.5
159.06647	0.7
161.04536	0.6
172.24121	0.4
175.71609	0.5
178.29996	0.4
179.05528	1.0
187.07297	0.4
187.09769	0.5
206.89859	0.5
211.07736	0.6
221.15376	0.7
225.09186	1.6
226.06320	0.6
226.09741	0.7
227.10596	0.7
237.09206	0.8
239.07193	0.9
239.10661	0.6
241.08572	1.0
241.12292	0.6
243.13965	0.8
245.19096	0.4
247.06160	0.6
251.07054	1.0
252.07983	0.6
253.08696	0.9
254.09480	1.2
255.03049	1.1
255.10284	1.4
255.13942	1.5
267.10226	1.0
269.11935	1.3
271.13370	1.6
272.13696	0.5
280.07458	1.0
283.02536	0.6
283.13312	3.3
289.18085	1.3
295.09662	0.5
298.12085	1.6
299.16425	1.4
307.19119	3.5
309.14920	2.2
311.12817	5.3
327.12457	1.0
327.15997	5.6
358.17685	0.9
371.11148	4.7
371.15024	20.7
372.15244	0.7
469.24420	4.2
487.25507	100.0
488.25891	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	487.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
58.00577	1.0
59.01377	100.0
60.01700	0.8
61.98820	3.4
62.10328	0.7
65.69417	0.6
69.03455	1.1
71.01382	17.2
71.01777	1.1
72.99321	1.4
73.02946	12.7
79.12601	0.6
83.01387	2.6
85.02946	4.7
87.00872	5.0
89.02448	6.7
94.19413	0.7
95.01392	1.1
96.95986	4.4
98.95591	2.1
99.00877	2.3
101.02459	7.0
107.05056	0.9
108.21517	0.6
111.85632	0.9
113.02452	5.5
115.00353	2.9
115.92118	1.1
116.92870	1.2
119.03512	2.2
121.02944	1.0
122.02486	1.6
125.02401	0.7
133.01411	1.6
133.22403	0.7
135.04500	0.8
143.03514	0.9
161.04520	1.7
163.03990	1.5
163.11293	5.6
178.06313	1.3
181.12325	15.5
187.11261	2.6
189.12856	2.3
190.09969	3.4
193.08696	2.6
203.05544	1.3
205.12291	4.5
223.13353	1.7
225.09315	1.0
227.07047	0.9
230.09268	0.7
239.10484	0.8
247.13445	1.0
255.02849	3.7
255.10164	1.4
255.13858	1.3
267.10129	0.9
269.11957	1.2
270.12451	0.9
270.76422	0.7
283.02542	2.3
283.13376	2.6
298.11920	0.9
299.16397	1.2
307.19113	2.3
309.14999	1.4
311.12900	3.9
327.15961	5.4
349.16531	1.5
367.17529	2.4
371.14941	17.3
372.15219	1.8
385.18762	1.2
390.10321	1.1
427.19391	2.7
469.24146	1.2
487.08551	2.4
487.25400	33.7
488.09393	1.1
488.25616	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	487.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29527	0.5
54.00748	0.5
55.01870	1.1
57.03444	0.9
58.00584	0.7
59.01378	100.0
61.98820	2.5
69.03461	1.1
71.01380	19.3
72.99334	0.8
73.02945	15.3
83.01389	5.1
83.05029	1.2
85.02944	5.7
87.00858	2.9
89.02444	9.7
95.01395	0.6
96.96011	1.4
97.02930	1.0
98.19833	0.9
101.02443	17.5
109.06535	0.6
111.00838	0.6
113.02451	7.3
115.00362	0.9
119.03503	3.2
125.02415	0.8
131.03493	1.7
131.93051	0.6
133.02940	1.2
135.04498	1.0
143.03508	1.8
149.04570	1.7
161.04570	4.7
161.09747	1.7
163.11264	0.8
176.08420	1.0
179.03563	0.6
179.05699	1.8
181.08771	1.2
187.11269	8.0
190.09995	2.0
203.10860	1.2
204.11639	1.6
205.12317	9.6
215.10815	1.1
233.11792	5.3
259.13422	3.1
265.14584	1.4
271.13339	1.0
277.14401	3.4
307.19238	1.1
311.13126	0.9
327.08478	0.6
327.16287	2.1
349.16574	0.8
367.17560	0.8
371.15060	5.0
427.19766	2.1
474.63177	0.6
487.25482	14.6
488.25800	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91470	0.5
55.01862	0.7
57.03445	1.2
58.00594	1.1
59.01379	100.0
60.01703	1.0
61.98829	5.8
69.75232	3.4
71.01380	16.9
72.99320	1.3
73.02954	7.3
74.13878	0.6
75.00879	0.7
81.03487	0.7
83.01399	2.7
83.05040	0.6
85.02959	5.7
87.00903	1.5
89.02451	9.7
91.21265	0.6
96.96021	4.3
97.02960	1.1
99.00870	1.3
101.02443	10.7
111.08229	0.7
113.02454	4.6
115.00399	2.0
115.04035	0.7
119.03521	3.7
125.02448	1.5
131.03458	0.7
133.01469	1.6
133.03020	1.4
134.03767	0.7
135.04546	1.8
143.03456	0.9
149.04546	1.0
149.06107	1.0
161.04517	3.4
163.04005	1.1
163.11311	1.7
177.01964	0.7
178.02698	0.9
179.03609	0.7
179.05629	1.2
181.12350	3.5
187.11293	2.8
190.09946	0.9
205.12344	4.3
223.13327	0.9
233.06740	0.6
233.11801	0.7
259.13690	0.7
265.14468	2.3
267.90408	0.6
277.14395	1.0
283.13330	0.6
289.18082	0.9
293.08853	0.8
307.19125	8.1
308.19482	0.9
311.13034	1.5
325.20026	1.0
327.08859	3.0
327.16083	1.7
367.17630	1.7
371.14999	8.5
427.19604	1.1
433.11261	0.6
445.24509	0.7
454.03757	0.7
487.25540	36.2
488.25876	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	487.195
Annotation	Terretonin
Peak:m/z	Relative Intensity
52.81390	0.6
57.03422	1.1
59.01381	21.3
61.98828	16.8
65.44690	0.7
69.03460	1.1
71.01378	5.2
71.54375	0.8
71.54778	1.0
73.02941	1.5
78.91863	1.0
78.95904	20.1
80.02671	1.5
81.03453	2.3
83.05028	7.4
84.02165	1.9
85.02943	4.9
86.03262	0.9
87.00860	0.8
89.02437	2.9
95.05051	1.2
95.93054	0.6
96.96005	5.8
96.96948	2.4
97.02947	1.6
97.06585	1.6
101.02419	3.4
107.05038	0.9
113.02448	2.0
114.80368	0.6
115.00368	1.2
115.04021	1.0
133.01384	0.9
135.04509	1.0
152.99583	35.2
159.06598	2.6
161.04559	1.2
163.11301	6.9
165.12819	4.6
171.00650	2.9
171.10268	0.9
174.51288	0.6
181.12309	1.3
191.01970	1.9
191.10764	1.3
205.12331	2.9
209.11818	100.0
210.12140	3.9
227.03242	3.3
227.12866	14.1
245.04288	1.1
259.15527	0.9
265.14429	1.9
281.08209	1.2
293.33539	0.8
363.12180	0.9
432.36252	0.8
451.21854	5.0
455.16800	14.3
487.19498	98.8
488.19882	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15844	1.5
57.03478	1.6
58.55704	1.4
59.01380	33.4
60.82852	1.5
61.98823	2.9
68.17285	1.5
69.32538	12.1
71.01380	45.3
87.00877	100.0
99.12868	1.5
105.24724	1.9
115.00379	34.0
133.01428	16.0
135.04520	4.0
142.01227	1.7
145.19292	1.7
156.08130	1.7
158.03780	4.1
159.04515	6.4
160.84299	2.4
162.83919	5.8
171.04497	5.9
172.05298	7.1
173.06100	6.0
174.06796	4.8
177.01894	3.1
179.03513	3.7
182.03702	4.3
186.06854	35.5
187.07651	16.1
200.04779	12.0
201.05580	15.2
201.09196	16.4
211.07698	11.9
212.08311	2.8
214.06349	75.0
214.91519	1.7
215.07095	46.7
215.10439	2.5
229.08673	55.0
229.10881	3.6
230.09421	12.6
251.10809	1.9
251.16347	2.2
255.02895	1.9
273.07712	3.0
274.08539	10.5
283.13351	3.2
309.15042	9.1
311.12839	19.3
327.15845	5.4
371.14926	36.9
403.19321	1.8
487.34262	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	486.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18105	0.2
59.01377	2.0
61.98828	100.0
71.01380	1.0
71.56548	0.3
75.26353	0.2
85.02963	0.3
86.74815	0.2
87.00883	0.5
94.16335	0.3
101.02466	0.3
115.00395	0.7
133.01369	0.3
157.50095	0.2
248.64294	0.2
255.02934	0.5
283.02527	0.2
283.13388	0.5
284.03146	0.5
299.05643	1.0
311.12747	1.3
327.16071	0.7
371.14908	1.8
432.89899	0.2
448.23126	0.7
486.19904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98796	0.9
69.13174	0.8
71.01382	9.7
73.02928	1.9
79.53544	0.9
83.01405	1.1
85.02948	1.9
89.02451	4.1
95.01365	0.9
99.00924	0.9
101.02421	3.3
111.02795	0.9
113.02441	4.3
115.00370	1.3
119.03447	1.3
133.01372	0.9
152.66861	0.8
161.04510	0.8
176.03429	1.0
196.86388	0.9
199.07747	1.4
227.07117	3.4
271.45493	0.9
325.14572	2.1
369.13260	3.5
381.22552	1.4
399.23682	3.2
425.17877	0.9
472.37027	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13485	0.4
58.00610	0.9
59.01378	100.0
61.85909	0.5
61.98838	0.5
70.21857	1.9
70.97581	0.4
71.01384	6.3
72.99321	1.0
75.00881	0.4
75.35125	0.4
89.02445	13.2
99.00877	5.3
103.12585	0.4
115.92342	0.4
117.01939	13.0
135.03014	0.8
161.00845	0.5
162.83949	0.5
177.04074	1.9
375.09390	0.6
467.31931	0.9
485.32837	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	485.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14045	0.5
53.08205	0.6
57.03435	0.5
57.97086	0.5
59.01379	14.7
61.98817	1.9
62.93830	0.5
68.88824	0.5
71.05021	54.2
71.55591	0.9
72.05328	0.6
78.95880	0.8
96.96012	0.8
101.02422	0.6
102.69414	0.5
109.06522	0.7
111.00901	0.6
114.91453	0.6
119.05024	1.7
160.84241	1.0
162.83780	0.7
163.04030	2.2
183.85132	0.6
207.10262	0.8
225.11290	0.9
227.12790	0.8
235.70387	0.5
332.03940	0.5
337.25259	0.7
341.98712	0.5
351.26965	5.9
371.25903	12.9
372.26105	1.4
395.29358	0.6
403.29913	1.3
405.31668	1.8
406.59821	0.6
421.31201	0.7
423.32721	0.6
437.30453	3.0
439.32101	2.5
467.31537	1.5
485.32733	100.0
486.33078	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	486.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.9
61.98830	100.0
63.99262	0.7
71.01384	2.1
73.02940	0.4
80.14697	0.3
85.02949	0.3
87.00873	1.5
89.02445	0.4
96.95998	0.6
101.02455	1.0
105.65615	0.2
115.00378	1.0
115.23444	0.2
127.94046	0.3
133.01468	0.9
211.07690	0.4
225.09154	0.6
225.11476	0.3
239.10814	0.4
253.08598	0.3
254.09439	0.7
255.13908	0.5
280.11157	0.3
283.13370	1.8
298.12183	0.5
309.14938	0.6
311.12976	1.3
327.16010	4.6
370.13824	0.4
371.14972	3.3
425.23309	0.4
426.23358	1.2
486.19614	0.4
487.25281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01376	0.9
70.51144	0.4
78.36733	0.3
78.95924	1.5
79.95724	2.3
82.97089	0.3
85.02943	5.0
96.96013	100.0
101.02453	0.3
120.61812	0.3
133.95085	0.3
147.03021	0.7
169.55312	0.4
191.02002	1.5
193.05214	0.4
217.70644	0.3
310.86407	0.3
485.17252	0.4
495.91501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
55.89609	0.6
57.03443	2.2
59.01378	17.5
61.98819	3.4
67.79684	0.6
69.36983	5.0
71.01379	17.9
72.99308	1.1
73.02934	5.7
79.95734	3.0
82.95416	1.4
83.01387	1.9
85.02943	17.6
86.00118	1.2
87.00872	4.3
88.98800	0.7
89.02440	8.6
95.01400	1.2
96.96008	100.0
97.02960	0.7
98.19860	1.2
99.00867	1.7
101.02438	11.2
111.00893	0.7
113.02451	7.9
119.03520	3.1
129.01933	1.3
131.03471	4.0
143.03531	0.7
145.07735	1.2
146.04842	1.5
147.03029	1.5
159.02939	1.4
160.06425	5.5
161.04541	4.5
161.07198	48.2
162.07468	0.9
175.08749	16.0
179.05530	0.8
187.08745	2.1
189.06686	72.3
190.07036	2.9
191.01918	5.3
191.05637	1.2
203.08244	15.2
209.03033	3.0
221.06660	5.4
229.09818	1.8
277.11902	1.3
280.69553	0.6
305.11426	8.6
323.12372	2.0
387.16580	2.0
420.52109	0.7
425.20245	1.5
457.17700	0.8
467.16687	1.3
485.17719	90.9
486.18158	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	485.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98825	6.7
69.03455	1.3
69.19696	11.1
69.74850	1.1
71.01385	19.2
73.02944	3.4
78.95940	1.2
83.01417	1.2
85.02979	5.8
87.00894	1.9
89.02436	4.2
96.96012	3.2
99.00885	1.8
101.02439	6.6
107.70908	1.3
111.07121	1.2
113.02467	5.6
115.00363	5.3
121.02915	1.1
133.01433	2.4
133.02951	1.4
161.04536	2.1
171.08142	2.7
173.04654	1.5
177.67946	1.1
183.04556	1.4
184.05295	2.5
187.07584	1.0
199.07632	4.4
212.04648	1.8
213.05447	2.1
227.07155	7.3
246.70401	1.3
251.07237	1.2
289.78415	1.2
325.14532	9.1
369.13391	15.9
423.21939	1.8
425.17767	1.3
441.22833	4.2
449.23480	2.0
485.22861	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	485.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.2
59.01374	2.0
61.98823	2.8
69.71279	0.4
71.01388	1.6
71.54208	0.4
72.99312	0.4
79.95739	2.2
83.01380	0.6
85.02950	11.7
85.06602	1.3
88.98806	1.6
89.02425	0.8
93.03427	0.4
96.96009	100.0
101.02448	0.9
115.00336	0.4
129.01962	0.9
131.07132	4.1
134.02238	0.3
134.04715	2.0
147.03012	1.6
147.22647	0.3
163.11304	0.6
165.03928	0.4
191.01952	6.7
191.05598	2.3
207.23412	0.4
207.28592	0.4
209.03040	2.8
235.86517	0.3
236.13031	0.3
263.05920	0.5
266.08810	0.5
293.10031	0.4
305.07043	1.2
387.16650	1.6
425.20203	1.4
467.11584	0.4
485.12860	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86302	0.3
51.13163	0.2
57.03434	0.3
57.98669	0.3
59.01372	1.2
69.38655	0.3
69.42383	1.1
69.42808	0.8
78.95913	0.6
79.54473	0.2
79.95734	2.5
82.95413	3.1
85.02957	1.8
96.96010	100.0
191.01936	1.1
207.10303	0.3
209.02908	0.4
305.07089	0.3
312.19199	0.3
387.16580	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	485.169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21941	0.3
57.03439	1.0
59.01382	3.2
61.73378	0.3
61.98823	3.3
62.31610	0.3
70.54774	0.6
70.55106	0.8
71.01380	2.4
73.02933	0.4
73.11792	0.3
73.74184	0.3
78.95882	1.7
79.95737	3.3
83.01400	0.4
84.02145	0.4
85.02954	10.6
89.02451	0.9
93.03449	0.7
96.96010	100.0
96.97000	2.9
99.02291	0.3
101.02442	1.6
111.00934	0.5
111.01781	0.4
113.02415	0.7
129.01917	0.6
133.01410	0.7
134.58919	0.4
139.85022	0.3
147.02957	1.6
161.04555	0.5
173.04630	0.6
191.01991	4.0
191.05641	1.2
242.21072	0.4
263.12891	0.4
310.04791	0.8
325.07144	1.2
425.20346	2.1
467.15771	0.5
485.17053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75545	0.4
71.54402	0.6
78.95905	16.2
88.93955	0.4
89.29674	0.4
96.96960	1.3
124.03610	0.4
128.37704	0.4
150.98024	0.4
151.42726	0.4
152.99594	31.1
171.00648	1.4
197.72998	0.4
215.67311	0.4
227.03258	4.1
245.04327	1.1
255.23288	100.0
256.23596	3.9
376.93185	0.4
391.22516	0.8
409.23270	0.4
483.27286	65.1
484.27628	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	484.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.1
61.98828	100.0
65.59853	0.3
71.01388	0.7
71.43389	0.3
81.54918	0.2
85.65481	0.2
89.02447	0.3
93.25282	0.2
96.96021	0.6
101.02477	0.3
138.66698	0.2
152.52870	0.2
168.18237	0.3
218.36223	0.2
241.00273	0.3
275.41150	0.2
369.13474	0.3
424.21756	1.1
470.89996	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64408	0.2
59.01386	0.4
61.98828	100.0
69.57510	1.4
71.01389	0.3
71.21597	0.2
98.19851	0.2
115.90009	0.2
118.03912	0.2
189.74934	0.2
193.99883	0.2
244.59047	0.2
296.78619	0.2
424.22159	0.3
452.81696	0.3
484.20596	0.3
502.93448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.1
59.01380	7.4
60.03402	0.7
61.98820	1.2
71.01383	6.8
71.56085	1.0
72.99287	1.0
73.02934	1.1
78.23717	0.5
78.95884	0.6
79.95724	1.3
85.02950	20.3
87.00905	0.8
88.98781	0.9
89.02431	2.7
89.09018	0.6
93.03441	2.2
95.01335	0.6
96.96010	18.2
101.02437	1.9
108.02182	1.3
109.02982	0.8
113.02431	1.2
115.00365	9.2
117.03462	0.8
121.03001	0.6
129.01944	1.7
133.01430	12.4
133.02962	0.8
134.03714	1.9
136.01624	0.8
137.02440	0.8
147.02991	2.5
150.03297	0.9
161.02409	1.6
161.04527	0.8
165.05528	0.9
171.10274	3.8
173.02432	3.3
173.04538	1.3
174.03151	2.6
189.01921	7.6
191.01952	7.6
191.05597	2.4
201.02020	2.9
202.02672	1.0
204.95905	0.7
227.36295	0.5
237.05463	3.5
238.06155	0.7
251.03345	1.0
253.05075	0.9
259.02798	0.7
264.04294	1.8
265.05017	3.2
281.04507	1.9
291.03101	1.3
292.03867	3.6
293.04562	14.0
294.04813	1.2
307.02469	0.7
308.03174	3.2
309.03922	5.2
310.04794	33.6
311.05200	1.8
323.15076	0.8
325.07135	100.0
326.07480	4.8
336.02707	3.1
351.05014	8.4
369.05975	1.1
425.20444	1.1
467.15231	1.7
485.17154	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20566	2.8
57.03426	2.9
59.01379	33.1
59.73710	2.4
61.98818	8.8
66.34281	2.4
71.01383	37.1
71.16062	5.4
72.99303	3.6
73.02946	19.3
78.95911	14.1
83.01373	5.8
85.02940	19.0
86.08574	2.6
89.02429	7.3
89.62371	2.5
99.00878	6.4
101.02452	35.8
113.02460	13.6
115.44337	2.6
119.28928	2.6
131.03522	2.8
152.99599	21.6
161.04523	10.8
291.18121	21.2
423.22314	100.0
424.22522	3.7
447.22403	13.1
483.19180	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	483.2
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	30.8
60.52378	2.2
66.14582	2.6
71.01386	19.3
71.14915	5.2
73.02947	11.8
74.15333	2.3
85.02953	6.2
89.02458	22.9
94.85181	2.5
95.01389	3.2
99.00881	39.3
101.02447	8.5
110.89413	2.3
113.02459	16.2
113.62299	2.6
119.03516	4.8
131.03551	5.7
149.04556	28.3
152.99561	4.6
154.41954	2.9
161.04539	11.3
179.05444	2.8
191.05615	18.5
202.28819	2.6
233.06667	6.3
447.22324	100.0
448.22678	3.8
483.19833	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	483.154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.6
61.98830	0.3
69.25551	1.2
69.25958	0.4
71.01384	0.5
73.02948	0.3
76.74762	0.2
78.95905	0.9
79.95732	2.1
85.02950	0.3
89.76190	0.2
96.96008	100.0
97.95968	0.3
98.02547	0.2
101.02430	0.7
110.10652	0.2
113.02431	0.3
133.02985	0.3
203.11591	0.2
256.98087	0.2
285.03909	0.2
286.07401	0.2
295.83752	0.2
299.05429	0.4
327.05023	2.0
357.06158	0.4
447.09183	1.6
483.17935	0.3
483.24280	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.0
56.88593	3.4
57.03449	5.4
57.26426	3.7
57.47472	3.1
59.01381	58.7
61.17932	3.2
61.98822	14.7
69.03430	3.6
69.31426	7.8
69.31825	28.0
71.01380	45.9
71.49595	3.1
73.02946	12.8
74.33263	3.9
78.95914	29.8
80.88816	3.1
83.01389	7.4
85.02959	24.6
89.02433	17.9
95.01397	4.8
96.96979	3.5
97.01692	3.2
98.19924	6.6
99.00901	3.8
101.02452	35.7
113.02428	18.2
121.02938	11.5
125.02451	5.8
131.03506	7.3
149.44107	3.2
152.99576	47.3
161.04584	11.7
180.17505	3.7
193.05046	5.6
225.10646	3.8
253.09061	4.7
284.03073	5.7
285.03989	5.7
291.18155	50.3
315.18076	4.7
423.22318	100.0
424.22845	5.5
447.22211	46.4
448.22281	4.0
483.19467	77.5
484.20151	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	483.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01718	0.7
61.98822	0.7
70.84289	1.0
71.01376	4.2
78.95910	2.4
84.73949	0.3
85.03011	0.5
89.02435	0.5
96.96958	0.4
99.78144	0.3
101.02441	0.5
111.00887	0.7
112.31509	0.4
113.02475	0.6
115.07635	0.4
121.02985	1.0
152.99576	2.8
178.02734	0.5
211.13432	0.5
219.97374	0.4
229.30048	0.4
246.55930	0.3
275.09213	0.4
291.08768	0.7
326.06982	0.5
354.10150	1.4
363.14957	0.9
381.11725	0.8
405.89111	0.4
447.08945	0.6
464.82596	0.4
483.23755	1.7
483.29425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50445	0.2
58.99623	0.2
59.01371	0.6
61.98862	0.2
69.66646	1.1
71.01379	0.9
73.02934	0.4
78.95899	1.2
79.95735	2.2
80.91682	0.9
85.02947	0.4
89.02435	0.3
94.16718	0.2
94.98095	0.3
96.96006	100.0
97.65545	0.2
97.95953	0.2
99.00884	0.3
101.02444	0.6
108.11633	0.2
113.02433	0.3
129.43573	0.2
155.01933	0.2
161.04555	0.3
189.06554	0.2
218.37357	0.2
269.10184	0.3
298.52011	0.2
299.30835	0.2
302.60144	0.2
351.20139	0.3
401.14514	1.3
483.13739	0.6
483.24835	0.3
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
51.79406	0.2
56.27633	0.2
59.01378	1.3
61.98830	100.0
69.38000	0.4
69.38409	1.2
71.01386	0.4
78.95914	0.3
85.02972	0.4
98.20649	0.5
101.02444	0.3
109.45512	0.2
113.02426	0.2
152.99614	0.3
194.03389	0.2
194.63797	0.2
309.42398	0.2
480.22986	0.5
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
59.01377	1.3
61.98829	100.0
71.01395	0.7
75.45956	0.3
78.95909	1.0
85.02959	0.8
98.19843	0.6
107.84753	0.2
108.66030	0.2
117.78378	0.2
120.77313	0.2
129.01970	0.3
133.60977	0.2
152.99641	0.4
173.04543	0.6
178.02698	0.3
207.83379	0.3
351.17072	0.2
360.74100	0.2
364.97867	0.3
463.16159	0.4
480.21619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51237	0.6
52.40380	0.7
61.98825	1.6
65.99861	1.0
71.55755	0.7
71.56151	1.3
72.41496	0.6
74.25982	0.7
121.01644	1.2
121.02939	1.5
148.04042	14.9
150.01947	3.0
150.03065	0.9
162.01910	1.0
165.00699	0.9
175.02696	1.2
176.03516	99.9
177.04295	100.0
178.04779	2.6
185.81590	0.8
482.25824	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
57.03443	2.2
59.01379	55.7
61.98826	14.1
69.20756	7.0
69.21158	1.6
71.01382	28.2
72.99305	2.2
73.02944	10.8
75.00886	1.9
78.95904	10.6
83.01391	4.8
85.02950	13.4
87.00858	4.3
87.04506	2.5
89.02453	7.8
95.01381	2.3
96.96016	1.9
99.00875	2.8
100.39778	0.9
101.02438	19.4
103.04005	7.4
106.06611	2.7
111.00874	1.9
113.02443	13.2
115.00318	2.0
119.03484	3.4
135.04483	1.6
137.02379	1.5
150.05553	1.6
152.99576	10.4
155.10712	1.3
159.02943	1.8
161.04556	7.7
171.00572	2.8
171.10292	1.8
179.05630	2.2
186.12752	0.9
201.11211	1.4
211.13431	5.0
225.11456	1.9
230.11914	1.2
253.09271	1.0
255.11328	2.3
274.10873	2.6
317.11276	1.3
377.36887	1.0
419.26489	100.0
420.26971	5.1
461.14331	1.6
479.21133	4.6
479.32550	5.1
480.20490	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59373	0.3
59.01378	2.6
61.98829	100.0
65.31726	0.2
66.86284	0.2
69.03456	0.3
69.19556	1.9
69.19984	0.7
71.01381	1.2
73.02955	0.4
85.02963	0.8
89.02438	0.5
90.44904	0.2
96.96031	0.7
101.02464	0.8
101.73116	0.3
113.02449	0.4
118.55910	0.3
161.04581	0.3
185.11916	0.4
188.80530	0.3
309.03604	0.3
420.25970	0.4
421.20770	0.5
480.32907	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06855	0.8
53.48868	0.7
56.79453	0.6
57.03435	0.9
59.01380	100.0
60.01691	0.9
61.98841	4.4
71.01380	12.9
73.02959	3.6
78.95924	2.3
79.95734	0.8
83.01390	1.5
85.02969	3.2
87.00859	1.4
89.02447	5.6
94.25825	0.7
95.01384	0.8
96.96017	7.5
97.02966	1.0
101.02446	6.5
109.06603	1.2
110.98523	1.4
113.02455	6.8
119.03517	2.3
125.09712	0.6
131.03459	0.8
141.75244	0.7
143.03539	0.8
152.99554	1.0
157.08742	0.9
161.04628	1.8
171.10246	1.9
179.05824	1.0
201.11395	2.5
207.10303	3.1
225.11261	3.8
293.20932	1.4
311.22229	4.5
419.24738	2.1
437.25760	2.0
479.24704	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	479.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01715	0.6
61.98832	1.1
65.56563	0.2
71.01389	1.5
71.55601	0.3
77.72355	0.3
78.95907	0.8
85.02966	0.3
87.04512	8.1
89.02422	0.4
97.02954	0.3
105.23560	0.2
109.06602	0.5
110.98557	0.4
137.32393	0.2
163.11319	0.5
171.10376	0.8
181.12376	0.3
186.04347	0.3
201.11317	0.4
207.10178	1.3
225.11343	1.4
273.43454	0.3
311.21674	0.4
479.23422	1.5
481.51279	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.2
59.01380	100.0
61.98833	3.7
68.13020	0.6
68.22626	0.6
71.01382	10.7
71.15819	1.6
73.02962	3.5
78.95919	2.3
83.01393	2.4
85.02512	0.5
85.02940	3.4
87.00883	1.3
89.02441	5.3
95.01389	0.8
96.96014	6.4
97.02950	0.8
99.00903	1.0
101.02451	6.4
110.98534	1.4
113.02452	5.9
113.09816	0.7
119.03528	2.4
131.03563	0.7
143.03549	0.6
157.08760	1.3
161.04550	1.4
163.11354	0.8
171.10277	1.9
172.47507	0.6
179.05600	0.8
185.11745	0.7
201.11388	1.6
202.24365	0.6
207.10410	1.9
211.13481	1.0
222.83540	0.5
225.11398	2.3
253.09377	1.0
254.92691	0.6
274.68237	0.6
279.90314	0.6
288.30881	0.6
293.21121	1.0
311.22256	5.0
327.61816	0.6
419.24310	3.0
437.25580	2.1
461.21475	0.7
478.05331	0.6
479.24539	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67483	0.6
57.03434	1.6
57.38258	0.8
59.01360	1.0
62.15019	0.9
69.06100	0.7
69.49461	0.7
69.87503	4.3
71.01405	1.2
78.95909	30.1
83.04977	1.1
90.60257	0.8
99.08141	3.5
104.97491	1.2
107.19292	0.8
110.98540	23.5
111.08152	1.5
113.09707	2.6
113.10503	0.8
117.18518	0.8
122.91276	0.8
129.09225	3.8
139.11292	2.0
151.11281	1.4
158.77515	0.8
163.11252	0.9
165.12729	0.9
167.01151	21.2
167.10771	1.4
169.12326	3.2
171.10254	8.2
181.12358	4.0
183.13893	2.2
185.02164	6.5
193.12346	3.1
197.11847	12.3
199.13388	6.6
209.11919	0.9
211.13399	14.2
227.12843	1.0
249.22281	0.9
275.20206	1.0
282.21603	1.0
293.21231	17.0
307.01669	0.8
311.22290	92.5
312.22659	4.9
332.56015	0.8
361.07349	0.8
473.20709	0.8
479.24149	100.0
480.24487	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.0
57.03414	2.8
59.01379	81.2
59.87692	2.0
61.98827	39.7
65.81874	1.9
69.03459	2.8
69.81055	10.0
71.01377	33.4
71.05009	2.2
72.99302	2.5
73.02945	8.8
74.02473	4.8
83.01376	4.1
83.05045	2.0
85.02952	13.0
87.00857	6.0
89.02447	15.4
93.03481	2.7
95.01387	4.1
95.48730	2.1
96.96013	15.2
97.02948	3.6
97.06599	2.8
99.00877	18.3
101.02442	23.1
113.02443	11.7
119.03527	3.4
125.09668	4.5
136.07700	4.6
143.03519	2.0
150.05589	2.6
153.03041	5.3
153.52696	2.2
155.10728	2.7
161.04498	6.9
163.11266	6.6
171.10266	21.1
179.05643	2.7
181.12314	19.1
182.12601	2.1
183.10234	8.5
197.11861	5.3
197.41876	2.3
199.09509	2.5
199.13391	50.4
207.10226	25.5
215.13022	2.3
225.11310	65.9
225.13519	3.5
226.11745	3.3
241.00229	5.1
243.12350	18.4
253.09229	12.3
257.17575	2.8
273.17075	6.1
299.14014	3.1
299.18646	3.8
317.19647	2.4
393.04926	3.0
435.06241	3.1
437.23843	3.8
455.69739	2.2
461.19641	10.6
479.21036	100.0
479.25650	52.5
480.21609	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	479.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85409	0.6
57.03440	1.0
59.01373	1.3
69.03473	0.7
69.64140	3.7
71.01375	1.1
71.01738	0.6
71.04980	0.6
71.48161	0.6
78.95903	32.6
80.63148	0.6
83.05016	2.0
97.02950	1.9
97.06563	0.8
98.20628	1.0
99.08157	1.8
100.31683	0.6
100.93791	0.6
104.97478	1.4
109.06565	1.1
110.98531	24.4
111.08092	0.7
113.09711	2.7
121.10215	1.9
123.08188	0.7
125.09726	2.8
127.11250	1.2
129.09183	0.8
137.00111	0.9
137.09688	0.7
139.11308	5.5
141.12802	0.9
149.09738	0.8
151.11246	0.7
156.58635	0.7
163.11217	1.4
165.12834	1.7
167.01138	25.0
167.10759	0.7
171.10272	21.1
172.10667	0.7
173.75606	0.5
181.12321	1.0
183.13837	1.4
185.02199	5.6
185.11763	1.5
193.12344	7.4
197.11865	1.6
199.13399	1.3
201.11308	1.1
207.10245	1.2
209.11807	2.2
211.13377	8.4
225.11320	1.6
226.95978	0.6
227.12851	0.7
249.22185	1.5
250.89313	0.7
293.21228	24.3
294.21558	1.1
311.22266	87.1
312.22818	2.9
479.24133	100.0
480.24353	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	479.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	8.5
59.01377	22.3
61.98827	14.3
69.19836	6.8
71.01380	8.4
72.99313	0.8
73.02949	2.4
75.00854	1.2
78.95895	4.4
85.02937	3.7
87.00851	1.7
87.04555	0.6
89.02428	3.2
95.01383	0.8
96.96004	1.9
99.00877	1.4
101.02451	3.7
103.04008	100.0
106.06663	0.8
113.02446	3.7
119.03495	1.1
120.99648	1.7
135.04549	0.9
137.02396	1.2
143.10797	2.5
147.08217	0.8
149.09680	1.1
150.16443	0.6
152.99570	3.2
161.04556	2.2
163.04024	0.8
171.00581	1.1
181.12398	0.7
211.13474	3.2
225.11264	1.7
242.62605	0.7
307.17563	1.7
319.99506	0.7
324.55389	0.7
349.18805	1.3
364.97018	0.9
419.26364	5.5
479.22510	4.6
479.31662	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	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	24.3
65.07762	2.1
65.63969	2.2
71.01025	3.6
71.01386	62.7
71.15685	4.1
71.16016	3.3
71.35558	2.2
73.02979	11.0
73.03293	2.4
75.81197	2.4
78.95879	8.4
81.03450	2.7
81.05488	2.1
83.04987	4.3
85.02921	7.2
87.00888	3.5
89.02405	7.4
95.05024	4.2
96.96004	3.3
97.02918	10.2
97.06537	4.9
99.00880	10.7
101.02439	10.3
107.05032	2.6
109.06604	31.0
110.98490	3.5
113.02412	7.1
124.73971	2.0
125.09650	9.5
127.11275	5.4
132.34644	2.2
135.08142	3.5
136.05228	2.3
137.94720	2.4
143.03426	3.5
151.30034	2.1
155.10703	3.2
157.91718	2.2
161.09691	3.5
163.11263	20.5
165.93581	2.7
167.01089	3.4
167.10721	3.4
171.08997	2.1
171.10254	33.9
181.12346	17.8
185.11844	12.1
197.11736	6.0
199.13419	20.4
201.11325	45.3
207.10255	93.4
208.10655	2.8
209.11813	2.6
210.11977	2.5
215.12743	8.3
225.11333	100.0
226.11475	4.0
243.09961	3.0
243.12311	19.6
253.07098	2.3
253.09290	30.9
293.20541	3.7
295.10025	4.0
310.21057	2.4
311.22217	13.2
461.20392	13.9
462.20758	4.5
479.21179	79.2
480.21530	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85156	0.4
55.01883	0.6
56.09152	0.4
57.03426	0.6
59.01381	4.5
69.42859	2.6
71.01388	2.6
71.05019	1.2
71.20669	0.4
73.02925	0.7
80.01493	0.4
83.01347	0.5
83.05022	0.5
85.02930	1.3
89.02444	1.7
97.02933	3.2
97.06573	1.4
99.00877	13.0
101.02443	2.6
109.06585	1.1
110.03748	0.6
113.02449	1.0
117.93573	0.4
119.03490	0.4
123.08147	0.8
125.09718	4.0
155.14406	0.9
163.11293	6.6
171.10275	3.4
181.12335	15.1
197.11768	0.7
198.28224	0.4
199.13394	10.5
201.11279	0.6
207.10258	25.4
208.10555	0.5
225.11313	41.0
226.11647	1.3
243.12360	27.0
244.12740	1.4
253.09314	1.5
317.15875	0.7
461.20462	1.3
479.21274	100.0
480.21652	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	479.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55272	1.1
59.01377	19.8
61.98796	4.2
69.42930	8.1
71.01385	9.5
71.04984	1.1
73.02923	2.8
80.13212	1.0
85.02937	2.8
85.28000	1.1
87.00837	1.9
89.02391	5.0
96.96003	2.2
97.02903	2.4
99.00880	11.4
101.02427	6.9
113.02378	2.7
119.03425	1.6
125.09636	4.6
126.78632	1.2
136.07587	3.3
161.04431	1.3
163.11150	4.7
171.10118	3.2
181.12338	14.4
183.10153	3.8
199.13391	28.4
199.15149	1.1
207.10242	23.8
225.11307	52.7
226.11560	2.1
243.12364	17.1
253.09029	4.7
299.13644	1.5
299.89102	1.3
317.15875	1.2
419.22424	1.4
461.20184	11.5
479.20764	100.0
480.21268	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	478.2943
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
55.34076	0.2
59.68688	0.3
61.98863	0.3
63.35943	0.2
70.29404	0.7
70.29810	0.5
78.95906	100.0
95.74200	0.2
96.96011	0.5
96.96969	8.2
126.68889	0.3
132.57178	0.2
140.01183	0.5
150.98051	0.3
152.99590	18.4
171.00644	19.0
214.04872	0.4
229.28915	0.3
392.29126	0.3
404.25687	1.8
405.18637	0.3
472.39917	0.3
478.29395	68.7
479.29642	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	479.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36510	1.1
56.30858	1.1
57.03437	1.5
58.00593	1.4
59.01382	36.5
61.98833	10.1
71.01006	2.0
71.01377	26.5
71.53972	1.2
72.99301	2.7
73.02931	5.2
75.00862	6.6
83.01391	3.2
85.02948	8.9
87.00884	2.3
89.02446	19.3
95.01377	2.2
96.96013	18.2
98.59946	1.4
98.95620	2.9
99.00860	4.3
101.02441	20.7
104.64841	1.1
113.02464	10.8
119.03516	7.7
125.02444	1.8
130.10522	1.3
135.04485	4.7
143.03445	1.8
152.61841	1.1
159.02951	1.3
159.04520	2.3
161.04543	4.8
162.05667	1.4
165.01884	1.7
168.39902	1.3
175.02298	1.1
179.00052	1.0
179.03476	3.2
179.05594	2.7
192.26482	1.1
201.01595	3.2
203.03418	2.1
233.06543	1.5
247.02441	1.9
281.13882	1.5
286.56525	1.3
289.34399	1.3
317.02606	2.1
317.10202	1.4
347.16983	2.8
362.58649	1.2
443.19205	100.0
444.19382	5.4
478.97708	2.0
479.21548	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	479.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25219	3.0
55.01875	2.5
57.03435	3.3
58.00599	1.5
59.01381	28.3
61.98821	14.5
69.03435	1.4
71.01005	2.0
71.01382	30.4
71.54597	1.4
72.99319	6.2
73.02949	9.5
73.64539	1.1
78.58559	1.3
83.01395	4.0
83.05033	2.6
85.02946	9.2
87.00858	4.2
88.57861	1.4
88.98854	1.9
89.02428	11.3
95.01380	3.1
95.05013	5.4
97.02955	4.4
99.00881	6.2
101.02447	19.5
109.06557	4.6
111.00855	2.0
111.04521	2.6
113.02460	8.6
113.06152	1.3
115.07568	1.6
119.03506	3.5
121.06586	1.4
125.09659	2.2
127.11249	3.0
137.02396	1.9
137.09738	2.5
139.07652	2.4
139.11308	1.4
141.01939	1.6
143.03490	3.4
149.09737	2.2
151.11330	1.3
153.09148	1.5
153.12799	1.9
155.10770	16.8
161.04533	4.6
163.11285	9.2
165.05624	1.6
167.10744	1.6
169.12309	1.6
169.19563	1.3
171.10265	100.0
172.10631	4.2
179.05606	1.6
179.10786	1.6
181.12358	7.8
185.04637	1.4
185.11826	2.1
189.09212	2.8
197.11836	2.8
199.09779	11.2
199.13420	2.2
199.59235	1.2
201.11320	43.8
202.03984	1.3
207.10254	23.6
215.12939	5.4
225.11314	76.1
226.11609	3.8
235.08263	1.5
243.12350	13.1
253.09247	30.4
295.10388	3.5
317.12418	5.2
317.23410	2.9
363.20154	2.3
407.19324	2.8
461.19962	10.8
479.19812	2.1
479.24100	12.9
479.28741	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	477.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03431	1.2
59.01378	100.0
60.01721	0.8
61.98834	1.2
65.31220	0.4
69.45471	2.5
69.45885	0.8
71.01379	23.7
72.99317	1.0
73.02940	5.3
75.00871	0.4
79.86815	0.4
81.03461	0.4
83.01392	2.7
85.02948	9.9
87.00877	1.7
87.04526	0.6
89.02441	15.8
94.62095	0.5
95.01399	1.4
97.02944	0.5
99.00875	2.5
101.02438	21.0
105.81740	0.4
106.77857	0.3
109.63780	0.3
113.02448	10.4
119.03498	7.9
119.04317	0.5
121.03013	0.4
122.57783	0.4
125.02482	0.7
131.03488	1.1
135.92122	0.4
143.03511	2.9
159.03017	2.1
161.04550	19.1
179.05582	6.2
211.13448	0.4
255.19656	2.1
271.11102	0.6
279.89447	0.5
309.71399	0.5
310.46390	0.5
393.32434	0.5
413.33676	0.4
417.24905	44.3
418.25455	3.5
424.22690	0.4
477.27505	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	477.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	1.7
66.84574	1.1
67.14688	1.1
70.33176	1.1
71.11880	2.1
96.95994	1.6
107.88192	1.2
135.08160	1.3
137.09715	9.2
155.10783	100.0
156.11090	3.0
171.10286	16.5
181.08672	2.6
199.09753	48.6
217.10802	76.1
218.11108	2.3
277.21719	32.8
477.32013	29.2
478.32367	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	478.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25340	0.2
59.01379	3.2
60.54753	0.2
61.98829	100.0
69.97997	0.2
70.56384	0.1
70.57787	0.2
71.01380	0.9
73.02977	0.2
81.19874	0.2
83.01421	0.2
84.14097	0.2
85.02977	0.3
87.00937	0.2
89.02465	0.5
95.01335	0.2
96.96033	0.2
99.00858	0.2
101.02432	0.5
113.02478	0.3
113.40744	0.2
161.04555	0.4
171.10300	0.5
199.09895	0.3
199.13467	0.2
201.11322	0.4
207.10243	0.4
215.76663	0.2
225.11375	0.8
253.09277	0.3
313.02573	0.2
374.72418	0.2
380.59723	0.2
391.12399	0.4
417.25009	0.3
418.25323	1.6
461.20401	0.2
479.20877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
58.00623	0.6
59.01381	67.0
60.01710	0.7
61.98832	100.0
63.61599	0.5
68.99833	0.4
69.03462	1.1
71.01383	17.6
71.54717	0.7
72.99300	0.9
73.02944	4.9
75.00878	1.1
77.85914	0.4
83.01397	2.1
85.02956	7.1
87.00877	1.6
88.98832	0.9
89.02441	7.0
95.01401	0.8
96.95982	1.4
97.02988	0.6
99.00877	2.4
101.02444	14.6
102.02766	0.6
111.04527	2.2
113.02454	7.9
118.44198	0.4
119.03502	3.4
123.04550	0.6
123.08154	0.6
125.02383	0.9
125.06013	0.5
131.03459	0.9
132.56587	0.5
134.03731	2.4
135.04451	0.5
137.02469	0.5
137.09624	0.4
139.03990	0.4
143.03441	2.2
149.06081	0.7
150.03267	2.8
151.04002	1.2
151.11243	0.7
159.02956	1.8
161.03278	0.9
161.04561	14.8
161.09680	0.9
165.05585	2.6
169.12350	2.9
171.10277	3.2
178.02669	1.8
179.05528	1.4
179.10661	1.7
181.04956	0.8
185.11768	0.9
191.41122	0.5
192.05753	0.4
193.05038	3.3
195.06604	1.0
197.11827	4.9
205.03540	0.6
205.08597	1.3
213.11247	1.7
215.12776	0.5
223.09727	7.7
225.11348	0.5
235.08134	0.6
241.10632	1.6
241.14340	1.6
243.02858	0.5
253.09312	2.1
255.19666	3.6
299.98837	0.4
300.67773	0.5
314.04111	0.9
315.01434	0.7
389.12073	1.8
401.41553	0.5
417.24924	38.7
418.25259	2.5
459.18213	1.8
477.13345	1.4
477.19153	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	477.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.0
58.00615	0.6
59.01379	100.0
61.98826	4.9
69.49020	2.1
69.49445	2.1
69.54172	0.6
71.01381	23.9
72.99316	1.0
73.02949	3.3
79.63332	0.6
83.01397	1.1
85.02952	6.5
87.00858	1.1
89.02441	19.0
95.01411	2.0
96.96046	0.8
99.00907	1.8
101.02443	14.5
113.02446	9.5
115.00405	0.6
119.03508	8.6
125.02473	0.7
131.03566	0.9
142.04961	0.6
143.03535	2.7
149.04564	1.2
156.75540	0.7
159.03006	1.7
161.04532	7.7
166.05078	1.4
179.05606	5.1
211.13417	0.8
222.30080	0.7
248.05920	0.5
417.24954	22.2
418.25500	1.0
477.27423	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	4.3
59.01369	4.8
69.03427	1.3
71.01390	2.5
71.05013	1.6
78.81254	1.2
78.95900	33.8
80.02657	3.3
80.89909	1.5
81.03448	2.9
83.01378	10.2
83.05026	6.9
95.00690	1.4
95.05015	3.4
97.02993	1.5
97.06589	5.7
98.20669	3.1
104.97513	1.8
108.15421	1.7
109.06549	1.4
110.98518	29.8
111.08149	1.7
113.09720	2.4
123.04486	2.0
123.08117	3.4
125.06001	1.3
125.09734	11.6
127.11224	2.5
135.08159	1.9
137.06001	1.6
139.11290	7.8
151.11240	7.9
152.99652	1.8
153.12910	1.8
163.11304	10.4
165.12833	21.4
167.01170	19.8
167.10742	6.3
179.10771	4.3
181.12372	13.8
185.02203	16.8
191.10776	9.0
193.15968	4.3
207.10107	1.6
209.11818	98.3
210.12129	3.1
211.13348	2.8
247.20657	12.7
263.20059	1.7
265.21716	4.4
273.18527	4.0
281.21106	3.7
287.47031	1.5
291.19650	71.6
292.19891	2.3
309.20697	78.3
310.20947	5.7
477.22534	100.0
478.22937	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	477.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11764	0.6
55.01877	2.0
57.03440	2.1
58.00598	1.1
59.01379	100.0
60.01716	0.9
61.98830	74.9
69.03465	1.1
69.31081	1.5
69.31489	4.4
71.01380	36.3
72.99327	1.5
73.02944	9.2
75.00863	1.3
75.24944	0.8
79.56692	0.6
81.03432	0.8
83.01402	4.3
85.02951	13.8
87.00883	2.7
88.98829	1.9
89.02445	10.4
92.74507	0.6
95.01392	2.6
96.96042	1.1
97.02961	1.8
97.06661	0.7
99.00893	4.0
101.02439	29.7
110.03771	0.7
111.04536	1.7
113.02451	15.3
119.03484	4.3
125.02422	0.9
131.03505	0.6
134.03767	3.3
143.03534	2.9
149.02348	0.9
149.04654	0.7
150.03238	2.7
151.03976	0.8
151.11340	1.6
155.10791	1.0
159.02986	3.4
161.04546	36.9
161.09735	1.3
165.05589	2.9
169.12355	5.7
171.10272	3.6
178.02766	2.1
179.05621	1.8
179.10779	1.7
179.17358	0.7
185.11909	1.6
193.05081	3.0
195.06624	1.0
195.10358	0.8
197.11818	11.1
199.09758	0.9
205.08708	1.5
213.11311	2.0
223.09734	8.3
241.10834	1.2
241.14542	1.5
253.09349	2.9
255.19653	12.7
255.22076	1.1
298.98297	1.0
299.99261	2.2
315.01471	2.1
389.12500	1.9
391.12607	0.7
417.24921	54.7
418.25046	3.4
423.12552	0.6
459.18530	1.6
477.06891	2.2
477.13754	1.9
477.19461	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	477.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.1
57.03424	2.6
57.23699	1.0
58.70811	1.0
59.01368	1.7
69.44006	5.4
69.44411	1.5
71.01371	1.4
71.04958	0.9
78.95901	44.9
80.02677	1.2
81.03433	2.2
83.01387	7.5
83.05016	3.0
94.99004	1.1
95.05034	1.6
97.02937	1.5
97.06585	3.0
98.03722	1.0
109.06610	1.4
110.98522	32.1
111.08108	1.4
123.04585	1.7
123.08127	1.7
125.06035	1.2
125.09711	6.7
135.08162	1.4
137.00052	1.5
137.09697	1.1
139.11261	5.6
141.09196	1.1
149.09737	1.0
151.11317	5.3
156.56761	0.9
163.11234	5.5
165.08932	0.8
165.12836	11.5
166.99721	1.6
167.01144	33.2
167.10767	3.5
171.10222	1.5
179.10791	1.3
181.12343	6.8
185.02205	10.8
191.10831	4.5
193.15938	3.7
207.10239	0.9
209.11803	51.7
211.13370	1.1
232.20065	1.1
247.20602	8.9
263.20032	1.3
265.21707	2.0
273.18610	4.2
281.21222	1.8
291.19638	49.3
292.19852	2.3
309.20673	44.1
310.20978	2.1
377.76617	1.0
477.22534	100.0
478.22733	5.8
499.48636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.6
59.01368	2.9
69.28459	7.2
71.01331	0.9
72.45177	0.8
78.49432	0.8
78.95898	42.1
94.99030	1.1
97.02937	2.3
97.51717	0.7
104.97457	1.7
109.06591	1.2
109.95660	0.8
110.98530	26.6
111.08154	15.4
125.09727	1.3
127.07616	1.0
137.00052	1.2
151.11256	0.9
153.12767	1.4
165.12851	1.8
167.01131	28.2
168.66721	0.9
169.12306	7.4
171.10280	1.8
179.10793	1.1
181.12344	1.8
183.13954	1.1
185.02168	7.5
197.11823	72.5
198.12151	2.9
199.13419	2.6
200.60463	0.9
211.13351	6.6
227.12840	2.5
247.20824	1.2
263.20087	3.5
265.18124	1.6
273.18497	1.6
291.19647	20.5
292.20013	1.4
309.20682	50.0
310.21045	2.8
477.22559	100.0
478.22781	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	477.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	3.5
59.01367	7.3
61.98811	2.6
70.79802	5.5
78.95901	36.0
80.85661	1.8
81.03451	3.2
83.01372	5.0
83.05023	4.6
97.06609	2.5
99.00901	2.0
104.69509	1.7
109.06622	1.8
110.98535	27.9
111.08109	3.0
123.04580	2.8
125.09692	12.9
137.09744	4.3
139.11295	5.0
140.05832	2.0
146.37756	1.8
151.11256	2.5
155.10776	4.6
163.11252	9.0
165.12848	18.6
167.01141	31.4
167.10783	4.3
171.10254	5.6
181.12260	2.4
183.13950	2.0
185.02180	8.8
191.10844	2.5
193.12338	2.8
193.15955	3.1
197.15501	2.5
209.11833	41.7
211.13432	3.4
241.14403	3.0
247.20711	10.1
273.18610	2.3
291.19666	67.9
292.20172	2.2
309.20721	54.2
310.20914	1.9
477.22580	100.0
478.23047	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	477.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35685	0.5
55.01876	1.0
57.03441	0.8
57.77348	0.5
58.00608	0.7
59.01380	18.4
61.98831	4.6
69.03459	3.0
69.34602	0.8
69.34998	3.8
71.01382	10.8
71.05035	1.4
73.02962	2.6
80.89644	0.5
81.03442	0.5
83.01390	1.3
85.02947	2.9
87.00884	1.9
87.34987	0.4
88.98818	1.1
89.02453	5.9
96.95953	0.8
97.02927	0.9
99.00889	1.5
101.02448	6.7
113.02443	4.8
119.03513	2.2
123.00777	0.5
123.08173	0.6
125.02450	1.0
125.09725	1.9
127.07743	0.5
129.29283	0.5
131.03474	0.7
143.03436	0.7
149.04573	0.6
151.00394	1.2
151.11285	1.7
153.12869	1.5
161.04527	2.3
161.09714	3.0
179.05655	0.7
179.10782	6.9
189.01947	0.8
197.11823	79.1
198.12149	2.6
223.09790	2.8
241.10828	6.8
243.02800	1.0
253.09279	3.6
271.02457	1.3
281.78690	0.5
296.03348	0.6
299.01941	3.4
300.02701	2.2
315.05212	2.6
315.14343	0.9
332.40524	0.5
433.20605	1.5
459.18375	0.8
462.07959	2.7
477.10229	6.4
477.19632	100.0
478.10110	0.7
478.20068	6.3
495.83441	0.5
499.70749	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85329	0.9
59.01374	3.3
60.99305	1.2
61.98821	1.3
62.13062	1.0
62.94297	1.0
69.77764	4.5
71.01368	1.0
79.95756	1.3
81.02216	1.8
82.02995	4.3
82.06611	1.9
82.28926	1.1
83.02515	15.9
84.00914	10.8
88.98817	9.5
89.02441	1.1
96.00903	8.5
96.96011	45.6
98.02484	12.0
98.19968	1.8
99.05627	5.9
110.02479	10.7
112.04057	5.5
121.02953	1.2
130.08733	48.1
131.07179	1.4
134.88316	0.9
138.09251	18.3
139.08752	1.3
140.07262	1.2
143.11903	1.3
147.05981	8.5
154.01474	5.6
156.06703	1.5
169.09801	9.8
177.10301	1.1
178.66243	0.9
179.11882	4.0
180.05389	4.3
185.24542	0.9
187.05490	15.8
187.10880	2.5
194.16142	1.0
195.11374	1.7
205.09807	6.4
223.10928	9.9
231.13478	3.0
250.27844	1.0
267.09851	100.0
268.10242	3.2
284.07117	3.5
293.11389	2.0
302.08060	1.6
311.12448	13.9
387.16721	1.7
415.16541	57.7
416.16821	3.1
419.73630	0.9
459.19147	33.6
460.19806	1.3
477.20184	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	477.1977
Annotation	Eremopetasitenin C2
Peak:m/z	Relative Intensity
55.01879	0.8
57.03437	1.3
59.01380	26.8
61.98828	10.4
69.03453	3.8
69.43415	2.1
69.43837	1.6
71.01387	10.8
71.05041	1.7
72.99315	1.5
73.02956	4.2
73.04945	0.6
75.00868	0.5
83.01395	1.6
83.05035	0.7
85.02953	3.7
87.00881	1.7
88.98859	0.5
89.02444	6.9
92.38848	0.5
93.03460	1.3
95.01436	0.9
96.96010	1.4
97.02973	2.7
99.00872	0.9
99.24855	0.5
101.02431	6.7
111.04509	0.5
113.02431	3.5
115.04027	0.7
117.47423	0.4
119.03524	1.7
123.08269	0.6
125.02394	0.6
125.09708	1.7
127.07651	4.5
131.03494	0.8
137.02458	2.1
137.09758	0.6
143.03551	0.8
151.11276	1.0
153.12836	2.1
161.04518	2.7
161.09738	2.3
171.06593	3.5
171.10292	0.5
179.05652	0.8
179.10774	6.6
180.11188	0.6
185.00909	0.6
197.11824	89.5
198.12119	3.0
209.11780	0.6
211.13400	1.5
213.11353	0.6
223.09717	2.7
241.10814	9.7
241.14597	0.6
253.09250	2.3
255.16026	1.1
281.02518	0.5
315.05167	0.7
323.03992	0.8
373.18494	0.6
391.19669	1.3
417.20279	0.8
417.25775	2.5
433.20804	10.0
434.21182	0.7
477.19666	100.0
478.20123	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	477.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62730	0.7
53.09957	0.6
57.27203	0.6
59.01380	12.2
60.99306	14.9
61.17105	0.7
61.98815	2.1
70.85610	1.2
71.01377	2.8
72.72506	0.8
73.02946	0.7
75.00871	0.9
83.02489	0.7
84.00908	1.2
85.02943	0.8
85.80753	0.6
88.98802	100.0
89.02431	2.3
89.99143	0.7
96.95379	1.7
96.96010	35.7
98.02464	0.9
98.95594	1.9
99.00815	0.7
101.02427	2.2
103.66625	0.7
110.02456	1.0
113.02431	1.2
119.03529	1.2
130.08740	4.8
131.07117	2.2
135.04535	1.4
138.09251	1.3
150.05545	1.1
154.01443	0.9
161.04558	1.0
187.05460	0.9
202.40265	0.7
255.16194	1.0
267.09866	8.6
279.12134	1.6
300.02844	1.3
311.12582	1.0
315.05194	1.9
387.16507	7.6
415.16531	5.5
417.21381	1.0
421.30902	0.8
441.07986	1.0
459.18726	2.9
477.18863	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	477.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	1.9
59.01379	100.0
60.01711	1.3
61.94320	0.7
61.98829	12.9
71.01006	1.6
71.01379	23.2
71.55177	1.4
72.99303	2.7
73.02942	9.5
83.01379	3.5
85.02956	6.5
87.00867	1.5
87.98231	1.0
89.02439	13.4
95.01396	0.9
96.96009	1.3
99.00887	1.4
101.02431	14.6
105.01891	1.2
106.18918	0.8
113.02444	7.8
119.03480	6.0
123.86456	0.9
131.03477	0.9
151.02499	0.8
161.04524	2.9
179.05548	1.2
185.07213	1.6
204.06462	1.0
226.07401	0.9
241.09805	1.7
253.09790	4.5
255.11224	3.5
271.10831	6.4
313.11996	1.8
361.16556	1.1
373.18320	2.1
373.22363	2.0
391.19489	1.3
415.19684	3.1
417.24606	3.3
433.15829	18.7
433.20724	61.8
434.16028	1.4
434.21088	3.6
459.17480	1.1
477.15219	5.0
477.23108	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.278
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
50.59361	0.5
68.26283	0.7
69.22817	5.4
73.56615	0.7
78.74561	0.5
78.95903	100.0
96.96956	6.2
98.20686	1.3
101.91733	0.6
124.84279	0.5
140.01204	3.8
152.99582	16.5
167.39285	0.5
171.00633	17.6
196.03749	5.4
197.22722	0.6
209.54028	0.5
213.05579	0.7
214.04817	1.6
218.56171	0.8
257.37173	0.7
279.23264	57.0
280.23544	3.0
402.24017	1.4
445.19806	0.7
466.47110	0.7
476.27792	81.8
477.28140	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	476.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86906	0.3
54.60334	0.2
65.17680	0.2
70.21746	0.6
70.22107	0.6
72.76672	0.3
78.95900	100.0
92.39847	0.3
92.60226	0.3
96.96957	8.2
122.98527	0.3
140.01180	0.4
150.97992	0.3
152.99576	18.1
171.00632	19.5
279.23395	0.5
402.24130	1.8
422.64716	0.3
476.27795	65.1
477.28091	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	475.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21746	1.2
56.58213	1.2
57.03429	2.4
59.01376	17.5
61.98837	3.0
71.01379	17.6
71.12289	1.4
71.12631	2.3
73.02938	2.8
78.95904	22.7
83.01369	1.5
84.89048	1.3
85.02967	3.3
89.02448	14.1
101.02435	18.4
113.02465	2.6
113.09708	8.6
119.03528	3.1
131.03525	3.5
152.99591	5.1
163.06136	6.1
167.10736	1.5
171.00630	3.7
179.10945	1.7
181.07173	100.0
182.07584	1.8
213.69702	1.3
256.91800	1.6
279.23392	4.4
293.21213	74.5
294.21521	2.8
299.41266	1.4
301.61600	1.5
358.09799	1.4
475.30600	4.6
476.27866	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	475.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05051	0.7
50.81388	0.6
59.01376	9.3
69.19056	3.6
69.19485	2.6
71.01382	8.9
73.02938	1.5
78.95889	3.7
80.37472	0.7
83.01377	0.8
85.02931	2.0
89.02430	8.0
94.75085	0.8
99.56816	0.6
101.02450	9.0
119.03496	1.7
129.37393	0.7
131.03471	1.0
163.06093	1.8
179.14433	0.8
181.07170	42.1
182.07570	0.6
195.13901	6.3
205.12338	0.9
211.13396	0.7
223.13440	3.9
225.27522	0.7
228.13635	0.8
232.18837	0.6
243.12842	0.7
256.13235	0.7
256.54831	0.6
275.20105	3.7
293.21213	100.0
294.21478	5.3
295.21661	1.2
475.26300	2.5
477.74899	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57169	0.4
56.18021	0.3
57.03443	0.9
58.00581	0.9
59.01381	33.7
61.98824	1.0
69.24577	3.2
71.01384	16.0
72.99300	1.1
73.02958	1.3
75.00852	0.4
83.01382	1.4
85.02953	4.2
85.14096	0.4
87.00861	0.7
89.01928	0.6
89.02449	8.9
95.01396	1.2
96.96063	0.5
98.20686	0.9
99.00881	0.8
101.02452	9.2
110.33855	0.4
113.02448	4.8
117.50781	0.4
118.61905	0.4
119.03500	3.2
119.63927	0.3
159.04477	0.7
161.04591	0.5
169.12341	0.6
210.45261	0.4
211.13406	0.8
280.77542	0.4
295.22772	10.8
297.24310	4.2
313.23862	7.4
343.12265	0.4
344.76984	0.4
348.26279	0.4
359.15115	0.7
389.21765	0.4
396.86551	0.4
415.23212	2.1
431.23022	0.9
475.29105	100.0
476.22879	0.5
476.29462	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	475.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.6
59.01377	21.1
60.01716	0.4
61.98837	1.6
69.16499	0.7
69.16903	4.1
71.01383	4.9
71.24872	0.4
72.48388	0.5
73.02963	0.8
85.02973	1.3
89.02434	2.7
92.91130	0.4
92.97383	0.4
97.06597	0.8
97.97820	0.4
99.00874	0.5
101.02445	4.8
113.02454	1.4
119.03486	0.8
121.70824	0.4
135.04486	0.7
159.04614	0.5
159.11774	0.8
161.04523	1.5
161.05865	0.5
174.05669	0.5
177.12839	6.7
195.13885	100.0
196.14215	3.2
203.10875	0.9
211.13336	2.6
221.11806	1.9
235.08272	1.0
239.12883	10.7
241.03647	0.5
248.01901	0.4
253.09261	5.7
313.16418	0.7
405.40320	0.4
415.23468	1.3
416.51907	0.5
458.25330	0.6
475.21741	83.6
476.22232	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	475.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46790	0.9
55.01871	1.1
57.03435	2.9
57.28849	0.9
59.01374	7.1
61.98830	1.6
63.25755	0.8
69.55472	5.8
71.01367	2.3
71.58264	0.9
78.95908	47.6
80.02686	1.9
81.03442	3.6
82.60254	0.8
83.01389	5.4
83.05016	2.8
93.03479	1.0
95.01404	0.8
95.05003	2.4
97.02921	2.3
97.06583	6.2
102.85859	0.8
104.97463	1.2
106.04276	1.3
109.06597	2.2
109.91296	0.9
110.03710	1.0
110.98535	36.7
111.08197	0.9
119.08707	1.3
121.06593	1.4
121.10202	0.9
123.04551	5.8
123.08138	4.1
125.06030	1.3
125.09727	8.7
134.03735	1.0
135.08130	2.4
137.00069	2.1
137.09695	5.7
141.12845	1.2
149.06113	1.5
149.09773	1.5
151.11298	1.3
152.99554	1.9
163.07625	1.0
163.11285	12.9
165.12822	2.9
167.01146	35.8
167.10722	1.4
171.10362	1.1
177.12796	1.1
179.10835	2.1
181.12328	3.3
185.02177	11.1
185.11823	6.7
191.10718	3.6
191.14404	9.9
207.10248	5.8
209.11824	39.1
210.12169	1.4
211.13361	2.4
217.16003	1.0
225.11342	5.6
243.17499	1.0
245.19081	17.3
246.19658	0.9
263.20056	1.4
271.17004	2.7
289.18088	50.0
290.18314	2.7
307.19159	33.3
308.19522	1.7
443.18793	1.1
475.20999	100.0
476.21341	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	475.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.5
57.10303	1.4
59.01378	12.6
61.98845	1.6
69.24066	13.0
71.01373	7.7
78.95901	41.3
80.02691	2.0
81.03455	3.5
83.01385	6.5
83.05027	2.4
94.20261	1.4
95.05032	4.6
97.02943	2.4
97.06594	10.1
98.03688	1.5
102.08323	1.6
109.06573	2.2
110.98542	33.0
111.08173	3.5
113.09753	1.6
123.04513	3.6
123.08242	2.8
125.09713	9.2
135.08168	3.0
137.09720	5.2
149.09761	2.4
151.11320	9.7
163.11252	9.7
165.12813	7.5
167.01154	25.7
178.02512	1.5
179.10712	3.1
181.12369	9.8
185.02205	15.5
185.11923	7.3
191.10783	6.6
191.14418	9.7
197.11819	2.3
207.10307	5.4
209.11829	69.9
210.12209	3.3
211.13412	5.0
217.15955	2.1
225.11285	3.7
245.19110	19.0
263.20160	1.9
271.17062	2.3
289.18100	57.8
290.18399	2.8
307.19113	45.0
341.37418	2.0
369.52725	1.6
395.71762	1.8
433.28006	3.0
475.21048	100.0
475.28812	7.0
476.21344	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	475.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
57.03446	2.9
59.01383	6.8
59.88382	1.1
61.98808	1.1
64.52180	1.2
69.03420	1.6
70.86025	1.4
70.86376	2.5
71.01376	9.8
76.64037	1.0
78.95901	49.2
80.02686	1.8
81.03454	3.6
83.01397	6.6
83.05016	3.8
84.98275	0.9
93.03423	1.5
95.05032	1.5
96.95997	1.4
97.02940	4.3
97.06590	5.6
104.97460	2.1
107.05016	1.2
109.06589	2.8
110.98530	37.6
115.00349	2.2
121.06617	1.3
123.04537	5.8
123.08141	3.0
125.06062	1.7
125.09719	9.9
133.01404	1.1
133.02917	2.0
134.03737	1.7
135.08186	2.2
137.02472	1.7
137.09721	4.4
144.47493	1.1
149.06073	2.3
152.99565	1.4
161.09659	1.2
163.11287	11.6
165.12781	1.6
167.01155	37.9
177.12859	1.3
178.02681	4.0
179.10844	1.6
179.70149	0.9
181.12410	2.6
183.13914	2.1
185.02209	11.3
185.11830	8.5
191.10771	2.2
191.14420	8.2
197.11736	1.0
207.10252	8.0
209.11826	39.0
210.12082	1.7
211.13400	3.6
217.15955	1.5
225.11313	6.1
242.47682	1.2
245.19118	17.6
271.16962	2.9
279.19748	1.3
289.18085	59.5
290.18442	3.2
307.19144	33.7
308.19421	2.3
328.40158	1.0
359.14963	2.3
447.25089	1.2
475.20996	100.0
476.21240	6.2
479.91064	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.2
60.99009	0.7
60.99308	13.2
69.03449	0.9
71.01380	2.0
78.95908	0.5
80.91669	1.0
87.00863	3.3
88.00410	2.0
88.98804	100.0
89.02441	27.9
89.03014	0.8
89.99148	0.8
96.96012	14.5
99.00906	0.5
101.02457	1.1
113.02441	1.2
120.52891	0.6
130.08740	0.6
135.04515	1.2
135.49506	0.5
140.50467	0.5
173.65645	0.6
185.00890	0.6
295.71732	0.6
419.08740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86173	0.2
59.01383	1.8
61.98834	0.3
63.36555	0.2
69.48938	1.3
71.01388	0.4
79.95747	2.4
89.02457	0.4
96.96008	100.0
101.02458	0.2
113.02522	0.2
124.32033	0.2
136.50008	0.2
141.09203	0.3
146.03764	0.3
161.04539	0.2
179.07150	0.6
185.89713	0.2
215.04320	0.2
215.09230	0.9
230.54097	0.2
246.91440	0.2
313.06100	0.2
364.80624	0.2
377.14474	0.3
385.09277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28423	1.7
55.54520	1.7
59.01377	7.7
69.83765	1.7
71.01379	19.8
71.54929	2.0
72.99312	6.5
86.77042	1.7
87.00877	2.0
88.04044	3.3
89.02444	9.0
96.96001	2.9
101.02460	4.9
103.25600	1.6
108.93753	6.8
115.00365	38.9
115.05734	1.7
131.03473	1.9
132.03029	6.2
132.88637	22.8
132.94650	4.3
133.01430	100.0
133.05052	13.0
170.91135	1.7
192.95963	1.9
196.80812	1.9
220.24905	1.6
233.79718	1.6
271.65765	1.8
341.10886	4.8
348.31076	1.6
377.08395	4.9
415.03363	3.1
415.14545	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	475.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	27.6
60.96981	1.9
61.98820	6.2
69.32268	16.4
71.01378	30.5
72.99303	13.1
75.00877	1.8
76.94773	3.0
85.02942	2.8
87.00841	2.7
89.02435	24.1
92.94253	2.0
92.95998	10.0
94.95692	7.1
101.02432	12.0
108.93745	100.0
112.92305	3.8
113.02446	5.5
115.00365	24.9
116.53086	1.6
119.03498	8.0
122.95252	2.4
123.92414	3.2
130.88902	4.0
131.89027	2.4
132.02954	3.4
132.88641	49.7
132.93779	4.3
132.94644	71.8
133.01424	71.6
133.05072	19.7
135.04520	3.2
136.93217	9.7
138.91225	1.9
143.03491	2.1
146.97066	1.8
149.04524	1.7
161.04541	2.4
162.94815	4.2
174.94756	4.0
177.43277	1.9
179.05678	7.4
182.92889	1.9
186.34555	2.0
186.94788	6.0
192.88928	2.3
192.95825	38.2
202.09325	2.1
204.95879	9.9
215.03284	5.1
219.88133	1.8
222.96942	4.2
234.96915	28.5
252.90990	6.4
252.97942	5.0
294.99008	6.8
311.20761	1.8
334.16208	1.8
341.10873	63.3
342.11523	2.2
377.08524	55.8
378.08862	2.0
399.05298	2.0
411.15567	1.8
415.03568	28.5
415.14600	16.8
422.26898	1.9
459.73669	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	475.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71854	0.1
59.01374	2.8
61.98812	0.7
69.23847	1.6
70.02964	0.2
71.01377	1.1
73.02930	0.3
73.57811	0.2
78.97187	0.2
79.95734	2.4
80.96517	0.6
85.02956	0.4
87.00871	0.4
89.02452	0.6
94.98087	0.3
96.00920	0.5
96.96008	100.0
101.02444	0.5
112.61802	0.2
113.02486	0.3
114.01955	0.2
114.93393	0.2
119.03457	0.2
141.09190	0.2
146.65010	0.2
158.50827	0.1
161.04633	0.2
171.10280	0.4
179.07123	0.5
198.11369	0.6
215.09232	1.2
221.16298	0.2
221.18416	0.2
239.02379	0.2
295.12988	0.5
313.05923	0.3
313.14001	1.0
355.07928	0.4
377.14590	0.6
415.19516	0.2
457.13821	0.6
468.26563	0.2
475.14151	1.1
496.21283	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
61.00899	0.5
62.96406	0.7
70.05076	2.4
78.95905	100.0
96.96963	7.2
115.67568	0.5
140.01195	4.6
152.98363	1.1
152.99582	17.1
171.00632	17.8
171.54443	0.6
196.03781	8.7
214.04866	2.4
277.21701	63.6
278.22147	3.5
357.71280	0.6
358.03427	0.7
389.43652	0.6
400.22525	1.3
474.26239	82.8
475.26587	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	27.6
60.96981	1.9
61.98820	6.2
69.32268	16.4
71.01378	30.5
72.99303	13.1
75.00877	1.8
76.94773	3.0
85.02942	2.8
87.00841	2.7
89.02435	24.1
92.94253	2.0
92.95998	10.0
94.95692	7.1
101.02432	12.0
108.93745	100.0
112.92305	3.8
113.02446	5.5
115.00365	24.9
116.53086	1.6
119.03498	8.0
122.95252	2.4
123.92414	3.2
130.88902	4.0
131.89027	2.4
132.02954	3.4
132.88641	49.7
132.93779	4.3
132.94644	71.8
133.01424	71.6
133.05072	19.7
135.04520	3.2
136.93217	9.7
138.91225	1.9
143.03491	2.1
146.97066	1.8
149.04524	1.7
161.04541	2.4
162.94815	4.2
174.94756	4.0
177.43277	1.9
179.05678	7.4
182.92889	1.9
186.34555	2.0
186.94788	6.0
192.88928	2.3
192.95825	38.2
202.09325	2.1
204.95879	9.9
215.03284	5.1
219.88133	1.8
222.96942	4.2
234.96915	28.5
252.90990	6.4
252.97942	5.0
294.99008	6.8
311.20761	1.8
334.16208	1.8
341.10873	63.3
342.11523	2.2
377.08524	55.8
378.08862	2.0
399.05298	2.0
411.15567	1.8
415.03568	28.5
415.14600	16.8
422.26898	1.9
459.73669	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	474.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.6
61.98830	100.0
66.01394	0.4
71.01404	1.0
71.53995	0.6
71.54414	0.4
89.02459	0.5
96.05566	0.4
96.96011	11.8
98.09555	0.4
113.58601	0.5
114.05621	0.7
119.05096	0.6
134.04735	0.6
135.04524	0.9
138.05595	1.5
165.01065	0.6
180.03481	5.9
180.04906	0.6
208.16130	0.4
225.05864	0.7
229.73112	0.4
261.97083	0.4
264.50681	0.4
354.07523	0.6
453.76233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06821	0.3
59.01400	0.5
61.98831	100.0
69.97393	0.7
69.97799	1.1
75.00866	0.5
98.20576	0.4
106.08118	0.4
107.04694	0.4
108.91656	0.4
135.02983	1.0
154.46684	0.4
162.83929	0.9
164.83609	7.6
272.45309	0.3
293.21246	3.2
329.02426	0.3
331.02335	0.4
436.06927	2.7
438.06927	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	474.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66491	1.2
78.95901	100.0
96.96956	8.0
97.77085	0.3
103.25341	0.3
140.01144	0.6
152.99580	17.8
158.20222	0.2
166.83063	0.3
171.00638	19.3
214.04723	0.4
277.21643	1.4
277.56812	0.3
400.22595	1.8
432.27481	0.3
436.32834	0.3
474.26230	59.1
475.26450	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	473.3631
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
57.03436	0.2
59.01379	1.2
61.98814	0.6
64.09550	0.2
71.05019	2.0
71.10513	0.4
76.50948	0.2
109.06565	0.4
135.04535	0.2
137.81805	0.2
157.74977	0.2
162.83850	0.5
164.83611	0.8
185.46288	0.2
389.33237	0.2
409.34723	1.0
411.32574	0.9
413.34274	5.2
414.34695	0.5
473.36316	100.0
474.36633	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	474.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.6
61.98830	100.0
66.01394	0.4
71.01404	1.0
71.53995	0.6
71.54414	0.4
89.02459	0.5
96.05566	0.4
96.96011	11.8
98.09555	0.4
113.58601	0.5
114.05621	0.7
119.05096	0.6
134.04735	0.6
135.04524	0.9
138.05595	1.5
165.01065	0.6
180.03481	5.9
180.04906	0.6
208.16130	0.4
225.05864	0.7
229.73112	0.4
261.97083	0.4
264.50681	0.4
354.07523	0.6
453.76233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81033	1.7
57.03446	2.1
58.00589	2.0
59.01379	71.2
68.37423	1.9
69.44681	4.4
69.45098	7.9
71.01382	78.5
72.99303	5.0
73.02943	3.5
79.31645	1.8
83.01356	2.3
83.51833	1.9
85.02958	5.4
87.00871	4.1
89.02443	77.0
95.01388	2.9
96.95994	2.6
98.19923	4.6
101.02438	24.5
113.02466	17.7
113.09715	12.3
119.03487	12.8
131.03511	3.3
139.11302	2.1
143.03493	5.6
146.05908	2.1
146.25542	2.0
149.04541	2.3
157.39542	2.1
161.04539	7.9
179.05606	18.8
179.10706	2.2
187.07838	1.8
195.13890	2.3
228.64644	2.0
239.82672	1.9
277.21622	4.9
293.21216	100.0
294.21567	4.9
315.19449	3.6
357.89282	1.8
429.37515	4.8
472.35187	2.6
473.22849	4.8
473.36346	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	473.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13890	1.1
52.48094	1.1
58.00576	2.7
59.01379	40.6
59.43631	1.1
61.98814	1.1
71.01384	52.1
71.55566	1.7
71.55948	1.4
71.91105	1.2
72.99324	3.0
78.95899	5.9
83.01393	1.3
85.02945	4.6
87.00880	3.1
89.02444	54.5
95.01405	1.8
101.02437	14.7
111.08107	1.3
113.02451	12.8
116.22402	1.3
119.03481	8.7
131.03494	2.0
143.03490	4.1
149.04573	3.3
151.16228	1.2
152.99588	2.2
161.04539	6.9
179.05635	16.2
189.71930	1.1
195.13942	7.5
223.13274	6.8
275.20123	4.0
293.21222	100.0
294.21515	5.9
326.99304	1.6
354.09647	1.9
421.95163	1.5
473.29214	1.7
473.36011	18.2
474.26248	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	473.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.3
59.01378	100.0
60.01699	0.7
61.98832	1.6
69.73913	0.5
69.74305	0.6
71.01392	1.8
73.02953	0.5
85.02969	0.6
87.00885	0.2
89.02468	0.8
92.82395	0.2
94.77828	0.2
95.01378	0.3
96.96015	0.5
98.19942	0.3
101.02457	0.9
105.01951	0.3
113.02480	0.7
115.00392	0.5
119.03503	0.5
122.02516	0.3
131.03502	0.2
133.01456	0.9
185.00894	0.2
356.85135	0.3
357.09891	0.2
413.21558	0.4
473.23520	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01728	0.4
71.00471	0.6
71.01383	0.8
73.02943	0.6
85.02952	0.3
101.02464	1.0
102.37142	0.3
109.02300	0.3
120.41894	0.3
135.65720	0.3
161.37512	0.3
188.47795	0.3
291.76108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05096	1.8
59.01378	100.0
61.98819	2.1
69.28589	4.5
69.29002	9.7
71.01389	9.4
73.02931	3.1
73.74802	1.5
84.20728	1.8
84.95126	2.9
85.02940	2.9
89.02440	3.5
96.95972	1.9
101.02422	3.8
113.02441	3.8
138.06868	5.7
153.09213	15.0
161.04527	2.7
167.30780	1.6
225.14944	24.9
313.10815	4.6
326.72128	1.6
369.18997	10.6
429.21310	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	473.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66895	0.5
59.01378	100.0
60.01717	0.6
61.98842	2.9
68.99608	0.7
71.14509	0.5
98.20658	1.8
112.98537	1.0
119.37181	0.5
134.03754	0.5
141.01686	0.7
146.92891	0.6
160.84264	1.6
162.83951	2.3
163.83939	0.5
171.10265	0.6
217.21541	0.5
219.10075	0.7
309.20837	0.6
311.22345	0.8
331.18781	0.9
340.52216	0.6
357.17276	0.6
391.20248	0.9
424.52582	0.6
437.08282	1.0
473.33133	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	473.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28603	0.5
53.07568	0.6
54.76321	0.5
55.01893	0.6
59.01379	100.0
60.01712	1.7
61.98833	10.9
71.01392	6.4
71.55058	1.1
73.02962	1.6
77.94724	0.5
85.02982	1.3
89.02446	6.2
96.96012	4.7
99.00907	1.7
101.02448	3.9
113.02463	2.0
115.00367	1.1
115.07719	0.7
119.03543	1.1
125.02491	1.0
131.03546	0.9
133.01422	0.7
134.03830	0.7
135.04565	1.2
143.10805	3.5
149.04617	2.1
163.04030	1.5
166.14279	0.6
226.58820	0.6
233.06625	0.9
268.03833	2.3
275.09250	0.8
293.08740	8.5
293.11542	0.7
297.92389	0.6
329.06543	4.5
388.21414	0.6
413.21994	1.9
473.11554	1.1
473.18195	4.5
473.24127	1.4
474.23602	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	473.1792
Annotation	5alpha,6beta,8alpha-Trihydroxy-28-norisotoonafolin
Peak:m/z	Relative Intensity
59.01106	4.0
59.01377	44.9
61.98829	3.9
64.44936	2.9
69.03460	4.8
69.50861	17.5
69.51276	5.6
71.01374	30.2
73.02929	10.4
78.95905	10.2
84.95107	10.8
85.02945	11.6
87.00874	46.5
88.00400	4.0
89.02442	9.9
96.96004	23.8
99.00860	6.0
101.02454	17.8
113.02433	14.6
115.00322	4.6
119.03503	3.5
119.05087	3.3
125.09675	4.9
127.05119	6.2
134.03720	5.1
135.04527	4.5
152.99582	30.5
161.04506	9.1
162.03157	4.8
177.05531	6.4
201.11302	47.6
209.11813	43.0
258.77338	3.5
305.15921	6.8
313.10934	3.9
357.09637	7.7
429.17709	6.4
429.23083	6.8
437.20181	99.9
438.20456	9.4
455.16498	10.7
473.11069	6.2
473.17896	100.0
473.25623	10.2
474.18298	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	473.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85273	1.7
59.01381	100.0
69.03442	2.8
70.83974	3.4
70.84306	4.8
71.01383	23.3
73.02941	18.9
80.96513	8.3
82.96111	11.0
83.01394	3.2
84.95112	11.4
85.02941	4.2
87.00887	4.6
89.02454	21.6
93.03436	3.0
94.98101	2.4
96.96006	2.4
97.02947	2.3
99.00853	4.8
101.02458	18.2
113.02438	9.5
115.00310	2.9
119.03478	3.6
119.04980	5.4
125.02425	8.9
131.03470	4.0
134.03825	3.3
136.05261	6.1
149.04578	4.5
161.04544	4.1
163.11249	5.4
164.04788	82.6
179.07137	70.7
207.10283	11.1
227.00214	2.2
233.06578	3.5
293.08789	10.3
357.09753	12.2
358.09906	2.0
387.16501	6.4
429.17664	85.4
430.17850	3.6
473.15359	34.3
478.19681	2.2
488.80194	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	473.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86471	1.3
55.20169	1.3
59.01367	5.5
61.98818	2.4
62.61526	1.3
71.42436	1.3
71.53790	1.7
71.54194	2.2
75.00868	4.1
85.02928	2.1
90.85844	1.5
96.96015	10.7
97.02946	2.3
97.28463	1.4
98.50558	1.4
109.02951	32.6
117.78046	1.4
123.04538	4.2
127.57864	1.5
134.03761	1.6
135.04518	100.0
136.04851	2.7
148.05299	2.6
149.06076	42.8
150.06474	2.1
151.07687	3.5
153.05553	6.9
153.92473	1.5
157.05046	1.9
159.04471	2.0
161.02417	4.7
161.06059	14.2
163.03972	3.0
163.07639	2.1
165.05588	3.3
171.04465	3.3
173.06056	6.8
174.03215	3.2
175.04057	2.1
177.05548	9.7
179.03522	5.4
188.04724	2.4
189.05559	38.2
191.03423	1.7
191.07109	6.1
193.05051	3.2
195.06586	3.7
207.06621	28.7
208.06961	1.8
209.01228	2.7
219.06580	4.5
221.04518	19.6
231.06592	15.7
233.04672	1.4
235.06140	20.4
239.05609	15.7
241.00169	1.9
249.07683	7.2
251.02333	5.6
251.05545	1.8
253.07150	3.7
262.36075	1.7
271.08405	2.3
281.06735	2.0
283.01154	2.1
293.12653	1.6
297.09784	5.3
310.95313	1.6
311.07675	9.9
311.11349	6.5
369.11829	5.4
383.09567	3.9
393.11609	2.3
393.25171	1.7
397.11337	4.2
401.10760	8.5
411.12912	4.6
413.06668	3.2
413.10959	8.0
415.12534	4.4
443.11606	7.9
455.12045	3.0
473.12720	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3476
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
58.30005	0.3
59.01377	1.7
61.98831	1.5
61.99070	0.3
71.04996	0.5
71.23118	0.2
71.55582	0.6
72.11327	0.2
85.06520	0.3
96.95980	0.3
97.06583	3.0
137.43703	0.3
141.01660	0.6
160.84216	3.4
161.84262	0.4
162.83894	7.3
164.83527	0.5
167.36377	0.3
171.77710	0.3
209.11777	1.0
291.19507	0.6
309.20624	0.8
373.25211	0.4
374.26236	0.3
375.27396	0.4
389.28436	1.1
391.30075	4.0
405.31573	3.8
406.32043	0.3
407.33157	8.9
408.33548	1.1
423.28870	1.3
423.64697	0.3
437.30588	0.6
439.32239	0.6
441.33594	1.8
451.32141	11.4
452.32550	0.9
453.33707	43.1
454.33975	4.0
471.05396	1.7
471.34763	100.0
472.04526	3.8
472.35120	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	473.1087
Annotation	Apigenin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
52.47045	0.4
54.74158	0.4
59.01376	2.4
63.02401	0.9
65.00330	0.6
69.68884	0.7
69.69296	1.7
83.01385	0.8
98.20656	0.5
103.49458	0.5
107.01384	2.2
117.03486	1.5
122.02468	1.6
148.21706	0.5
149.02440	1.8
151.00348	3.4
158.03787	0.4
159.04546	0.5
171.04425	0.7
172.05266	0.8
181.06465	0.4
183.04585	0.6
184.05325	0.5
195.04486	0.9
196.05286	0.9
199.03998	0.7
200.04803	0.9
211.03995	1.4
212.04768	1.2
225.05576	0.8
239.03517	3.9
240.04240	4.1
267.02975	2.9
268.03745	100.0
269.04471	28.1
270.04959	1.5
311.05438	1.0
473.10864	81.6
474.11197	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	471.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86289	0.7
69.86707	0.4
83.62195	0.2
91.82413	0.2
149.52562	0.2
162.55882	0.2
169.34232	0.2
231.13371	0.3
393.31317	0.4
423.32709	0.9
471.34787	100.0
472.35104	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	471.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
71.32075	0.3
86.06197	0.2
332.32419	0.2
337.45212	0.2
386.00320	0.2
404.92584	0.2
408.44644	0.2
470.42538	0.2
471.34772	100.0
472.35110	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30238	0.3
62.21894	0.3
62.38511	0.3
63.71093	0.3
64.59391	0.3
69.54268	0.3
69.87400	1.4
71.05025	1.8
98.19970	0.5
100.74668	0.3
114.73748	0.3
123.18105	0.3
172.57712	0.3
339.40076	0.3
405.31549	0.4
407.33084	0.6
411.32947	1.5
427.35803	0.8
441.33350	0.4
451.32312	0.8
453.33701	12.7
454.34052	1.3
471.34778	100.0
472.35104	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	471.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35400	0.8
56.56459	0.8
59.01377	100.0
61.98829	5.6
63.05168	0.7
70.55874	3.0
71.01386	12.5
72.99293	1.2
73.02932	2.2
74.89063	0.8
78.12712	0.9
80.96512	1.1
85.02972	4.2
87.04514	1.0
88.98801	0.9
89.02441	7.5
95.13531	0.8
96.96008	2.0
97.02966	1.0
99.00879	0.9
101.02419	8.2
101.06093	0.8
113.02459	5.2
115.00359	1.3
119.03518	2.2
123.08121	1.9
130.16362	0.8
143.03555	0.9
159.04544	1.9
171.10304	1.1
175.04001	1.3
187.04007	1.1
191.03535	1.1
223.17044	1.5
251.01981	1.0
267.15881	2.4
291.19662	2.8
318.03690	1.8
336.04773	2.1
355.15488	10.0
373.09497	1.1
415.10559	2.0
433.11310	1.9
453.25024	2.7
471.15298	2.2
471.25967	52.0
472.26050	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
57.66437	0.3
59.01376	100.0
60.01702	0.9
61.98826	1.1
64.88931	0.3
69.03453	2.1
69.30032	1.4
69.30457	1.7
71.01378	5.2
73.02942	10.5
79.59001	0.3
83.01385	3.3
85.02952	0.7
89.02469	0.9
96.59714	0.3
97.02932	0.8
99.00880	0.4
101.02433	7.5
108.02219	0.4
113.02455	1.8
119.03525	0.9
131.03549	0.6
132.36327	0.4
143.03474	0.5
149.04610	1.1
161.04544	2.3
165.12794	0.8
185.00917	2.1
189.07509	0.4
207.13872	3.1
216.83569	0.4
219.14005	0.8
221.06769	0.7
221.15529	0.6
231.14186	0.4
242.70625	0.3
249.15004	1.3
267.16312	0.4
301.89090	0.4
454.81888	0.4
471.17010	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01379	100.0
60.01711	0.4
61.98832	0.8
69.34222	0.4
69.34634	1.6
71.01379	2.5
73.02963	0.7
83.01393	0.2
85.02950	0.5
93.29214	0.2
101.02465	0.7
104.61890	0.3
113.02466	0.6
118.54849	0.2
119.03502	0.2
137.91725	0.3
154.00580	0.2
161.04605	0.4
175.01424	0.3
192.11537	0.6
203.05577	1.6
207.13910	5.7
208.14281	0.3
223.13477	0.3
306.00330	0.3
433.20984	0.7
471.22565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.2
59.01379	100.0
60.01702	0.5
61.80217	0.4
61.98823	2.9
69.03458	0.5
71.01373	2.9
71.56518	0.3
72.42139	0.3
72.99326	0.4
73.02959	1.0
80.23955	0.3
83.01365	0.7
85.02956	1.1
89.02457	0.8
96.96050	1.1
97.02988	0.5
99.00868	0.5
101.02461	1.2
113.02444	1.0
116.07200	0.6
125.02390	0.4
135.04597	0.4
135.08209	0.5
137.04576	0.4
137.09740	1.2
154.33018	0.3
161.04562	0.5
169.96069	0.4
192.11493	2.2
203.05670	1.0
205.16016	0.5
207.13890	23.3
208.14282	1.0
211.13438	1.0
309.17233	0.8
411.20377	0.5
429.58597	0.4
471.21826	2.0
472.25873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
57.03448	1.6
59.01103	1.4
59.01379	19.4
61.98828	25.4
65.83490	0.8
71.01378	28.0
71.54272	1.1
72.99307	1.2
73.02950	13.2
75.00873	1.2
77.51695	0.7
83.01395	4.5
85.02946	12.5
87.00858	2.0
89.02444	9.3
95.01402	0.9
96.96008	20.7
97.02993	1.1
99.00883	3.8
101.02439	26.3
110.28433	0.9
111.00848	2.6
113.02444	11.3
115.00346	0.9
115.03998	1.3
120.01217	1.7
125.02431	2.2
129.01941	1.1
131.03491	2.2
133.03000	1.4
134.03745	11.2
137.02324	1.2
143.03465	1.3
149.04570	1.8
159.03009	2.9
161.04562	9.7
163.03911	1.1
177.01927	16.7
178.02599	1.4
191.05685	1.1
193.05040	11.6
216.19534	0.8
233.06616	1.0
249.07648	1.9
279.14474	22.8
312.12476	1.0
355.10330	6.8
356.10892	1.0
367.18985	0.9
389.54416	0.8
411.18701	100.0
412.19095	6.6
471.15250	0.9
471.21350	1.0
471.34851	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07817	0.4
59.01375	1.4
61.98833	2.0
69.38854	1.6
69.39279	1.5
71.01379	7.3
73.02969	0.4
78.95897	0.6
79.95740	0.4
80.96527	0.7
82.95410	2.6
84.45869	0.4
85.02930	0.6
89.02441	0.8
96.96005	5.0
98.19818	0.7
101.02463	1.0
111.06602	0.4
113.02462	0.6
115.00351	5.5
121.02934	1.5
129.01924	1.1
131.07140	0.6
133.02924	0.5
134.03731	100.0
135.04147	2.2
137.02428	1.2
138.01956	1.0
149.06042	3.1
161.02435	1.7
178.02689	1.7
179.03465	3.9
179.07047	0.4
193.05035	79.7
194.05331	2.3
213.38956	0.4
223.06000	0.5
225.11253	0.6
240.83630	0.4
355.10291	55.9
356.10519	3.0
411.18750	2.6
457.77420	0.5
471.09760	0.6
471.15845	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3322
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
56.66768	0.2
59.01368	0.2
60.99294	0.5
61.98847	0.2
70.82176	0.6
71.05019	2.4
83.05006	0.5
97.06584	0.9
104.02380	0.2
109.06509	0.3
150.47372	0.2
152.99565	0.2
163.00572	0.2
167.75652	0.2
176.38808	0.2
207.10353	0.3
211.13376	1.0
233.37372	0.2
241.21730	1.3
269.34473	0.3
377.28824	0.3
389.28717	0.5
391.30328	0.3
403.30124	0.6
405.31647	1.9
407.33221	3.1
409.31033	2.3
425.34329	1.9
432.38007	0.2
437.30731	0.3
439.31992	1.3
451.32159	17.7
452.32455	1.7
469.33194	100.0
470.33536	9.5
485.12982	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60518	0.3
59.01387	1.7
60.20970	0.3
61.98833	4.4
71.01382	12.3
71.24133	0.7
72.99297	0.7
73.02963	0.4
75.00858	0.7
82.95390	1.6
93.03479	0.4
96.96008	4.7
97.03002	0.4
101.02441	0.7
103.00401	0.5
113.02420	0.4
115.00381	4.5
119.05021	1.3
121.02956	1.0
133.02956	1.0
134.03746	22.4
135.04120	0.5
137.02446	7.1
139.04044	1.9
149.06070	1.3
150.03209	1.1
161.04480	0.5
163.03944	0.6
165.01971	0.4
177.01894	1.5
178.02711	33.5
179.03166	1.3
193.05054	100.0
194.05402	3.0
228.36235	0.4
231.50475	0.4
355.10358	7.1
356.10684	0.5
404.84509	0.4
411.18835	0.5
453.10196	0.8
471.09717	0.5
471.16354	2.0
471.35052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21588	0.3
59.01371	0.7
61.06387	0.3
61.60619	0.3
61.98820	0.6
69.34383	1.8
69.34808	0.8
71.01390	0.3
135.97688	0.4
192.64499	0.3
211.13475	1.8
241.21721	0.8
350.67432	0.3
362.12048	0.3
378.90390	0.3
393.31583	1.2
439.32129	90.2
440.32465	9.0
469.33182	100.0
470.33524	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17554	0.4
55.54709	0.4
59.01395	0.4
61.98845	0.7
64.23244	0.4
64.27213	0.4
66.43501	0.4
77.52146	0.4
87.15878	0.5
93.60452	0.5
97.45181	0.5
152.99736	0.4
165.95738	0.4
177.01910	0.9
195.13962	0.6
198.15608	0.4
211.13393	1.0
241.21721	2.4
242.21573	0.5
289.21680	2.2
295.22745	2.0
393.28125	1.9
394.57944	0.4
407.29449	2.3
409.30972	2.6
421.30972	0.6
423.32663	66.6
424.32983	7.1
425.34262	2.4
469.33191	100.0
470.33572	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	469.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
59.01379	4.9
61.98827	3.3
69.03461	3.5
69.95445	1.3
69.95837	1.6
70.37989	0.8
71.01385	2.3
71.05012	1.3
71.16130	0.7
80.35432	0.7
85.06609	1.0
95.05025	1.2
97.06562	1.4
109.06584	1.3
109.83517	0.7
125.09737	1.7
139.72861	0.9
144.87303	1.1
149.09760	1.1
162.83998	1.0
167.10782	6.4
177.12856	2.4
179.10776	2.1
179.14420	5.1
181.15440	0.7
195.13887	15.0
196.05257	1.1
197.06091	0.8
205.12337	14.1
211.07559	1.5
223.13387	100.0
224.13719	2.8
245.11574	27.5
246.11949	1.1
255.06537	0.7
295.53436	0.8
469.25638	32.9
470.26093	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	469.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45882	1.1
55.01864	2.1
57.03440	2.5
58.00600	1.2
59.01380	81.7
61.22861	1.2
61.98833	9.2
65.93706	1.2
69.03442	3.6
69.31869	4.5
69.32296	5.8
71.01378	42.7
72.99322	2.4
73.02943	15.5
79.95724	6.6
82.95423	1.8
83.01386	6.4
85.02948	16.8
86.03250	1.2
87.00886	3.7
89.02444	15.3
95.01366	1.9
95.95230	4.7
96.96008	42.7
97.02944	4.2
99.00878	4.6
101.02441	29.9
109.02334	1.2
110.97616	1.8
111.00909	3.5
113.02452	14.9
119.03467	1.6
125.02487	2.2
131.03487	8.7
141.01924	2.1
143.03482	1.5
149.04535	3.8
159.02934	2.2
161.04561	7.4
183.10300	1.2
185.00810	2.6
202.65128	1.3
209.11801	1.9
221.15425	1.3
277.16550	25.6
283.15524	2.1
337.21207	1.9
409.20767	100.0
410.21091	5.9
433.11560	1.4
433.23877	1.5
469.06635	2.7
469.11850	25.1
469.25809	4.0
470.11948	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	469.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.1
57.03441	4.2
58.00582	1.7
59.01376	87.1
61.98822	10.1
69.03444	5.0
70.46844	3.7
70.47208	2.1
71.01378	42.1
72.99301	3.1
73.02939	14.2
75.10979	1.6
79.95717	6.4
82.95412	2.0
83.01398	6.8
85.02943	21.3
87.00884	2.9
89.02435	16.0
89.30077	1.3
91.76582	1.5
92.70948	1.3
95.01392	2.2
95.95233	3.3
96.96005	45.9
97.02946	4.8
99.00896	5.0
101.02437	33.3
101.03095	1.8
103.04020	1.8
111.00866	3.7
113.02456	15.1
115.03957	1.5
120.28866	1.3
125.02454	3.1
129.02040	1.3
130.87448	1.2
131.03482	9.6
141.01976	3.2
143.03453	2.1
149.04556	3.2
159.02956	2.2
161.04576	9.7
172.29504	1.4
185.00972	2.3
229.53378	1.7
268.03656	2.1
277.16528	26.9
283.15433	2.0
288.80890	1.5
300.12671	1.7
312.03482	1.5
409.20737	100.0
410.21283	7.2
431.10010	1.7
469.06384	2.2
469.11710	24.1
469.21591	2.6
469.26257	2.3
470.11874	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	469.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77840	0.9
58.00571	1.0
58.94521	0.8
59.01109	1.6
59.01379	24.0
59.42234	0.8
61.98834	5.5
65.24618	0.9
69.03445	2.2
69.77424	2.4
69.77836	2.2
71.01382	18.6
72.99290	1.7
73.02958	5.8
81.03437	1.6
83.01380	2.0
85.02942	4.2
87.00873	1.7
89.02441	29.0
93.03434	2.0
96.96014	5.3
97.02941	3.2
99.00883	8.9
101.02439	13.8
103.37303	0.9
106.51459	0.9
108.02146	3.1
109.02950	12.3
110.83854	0.9
111.00880	1.4
113.02441	5.0
115.04018	1.5
116.69564	0.8
119.03488	2.8
121.03015	1.4
122.03751	7.5
123.04530	6.9
125.02443	10.1
127.46963	0.8
131.03513	5.7
133.02969	1.2
135.04503	2.8
136.01707	1.3
137.02441	4.1
139.04012	4.8
143.03481	1.4
145.03027	1.0
147.04524	2.1
148.01788	1.3
149.01297	1.2
149.02467	15.4
149.04544	20.4
150.03194	2.5
151.03996	1.7
152.01160	1.3
153.01915	3.7
154.02649	1.2
159.04457	1.3
161.02420	2.0
161.04544	2.5
161.06059	1.6
162.92482	0.9
163.04008	7.1
165.01894	2.0
173.02382	1.4
175.03908	1.1
177.01903	2.2
178.02655	1.0
187.03983	3.4
189.01926	1.1
189.05527	2.1
190.02686	3.0
191.03464	15.6
191.05557	4.6
193.05045	3.2
195.06540	1.7
199.79935	1.0
199.82297	1.3
201.01813	1.2
202.06332	0.9
203.07069	1.1
205.05028	2.0
206.05782	2.0
207.04718	1.5
207.06610	20.1
215.03458	1.3
219.03006	1.6
221.06596	2.2
222.05292	2.6
223.05983	2.8
231.02946	1.7
231.06631	4.6
233.04466	2.5
234.05324	30.1
251.07756	3.0
257.04370	2.3
275.05585	7.4
277.12924	2.0
289.07092	1.9
307.08212	100.0
308.08643	6.1
311.10049	1.3
409.17145	21.7
410.17511	1.2
469.14359	6.8
469.23294	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	469.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26778	1.8
54.52892	2.1
55.01841	2.2
57.03424	2.0
58.00589	2.1
59.01378	72.3
61.98835	14.5
65.73767	2.2
71.01381	68.5
71.23190	3.0
72.99303	2.5
73.02937	18.9
83.01388	3.6
85.02939	11.6
87.00886	4.4
89.02444	100.0
96.96013	16.9
97.02933	3.9
99.00878	26.3
101.02435	45.1
108.02152	2.4
109.02927	3.7
113.02453	14.5
119.03493	5.1
123.83208	2.1
125.02427	7.4
131.03481	20.5
135.04495	2.4
137.02452	3.9
139.03976	2.9
141.36157	1.9
143.03461	4.1
149.02499	3.9
149.04549	57.6
153.01895	3.0
161.04482	7.0
165.01913	5.2
191.03574	4.4
191.05565	12.5
196.23145	2.0
207.06569	2.6
221.06709	4.9
234.05309	6.9
251.07623	5.3
277.12909	9.0
307.08179	23.2
308.08258	2.6
311.09903	3.0
409.17120	98.3
410.17407	4.3
444.79803	2.1
469.13666	4.1
469.23093	3.1
489.07199	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	468.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	20.6
61.98829	60.4
65.15172	0.7
68.35764	0.8
69.58935	4.7
71.01395	1.8
73.02953	1.9
73.71391	0.8
75.15018	0.7
83.01357	0.8
85.02948	2.9
89.02454	2.2
96.60771	0.8
96.96021	2.0
101.02416	1.6
113.02480	1.9
115.00365	0.8
116.17033	0.9
135.04515	0.7
139.11279	12.3
163.11238	0.9
171.10268	13.4
172.10612	11.7
181.12321	9.5
183.10248	17.5
184.10524	1.0
191.01962	0.8
191.05525	1.5
199.13423	5.3
219.63007	0.8
225.11357	5.4
243.12354	100.0
244.12747	4.8
254.09586	1.3
285.13483	2.9
383.02002	0.8
405.17599	28.6
406.17960	1.6
408.19153	1.1
437.81137	1.0
458.75708	0.9
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
51.80819	0.3
54.63017	0.3
57.03430	0.5
59.01375	3.7
60.01705	0.5
61.01802	0.4
61.98829	100.0
67.20907	0.3
70.28519	0.6
70.28913	0.7
71.01382	1.5
75.00890	0.6
85.02951	2.4
86.03303	0.5
88.98802	0.4
89.02442	1.2
96.96048	1.1
101.02454	0.7
113.02517	0.4
123.04536	0.6
131.27995	0.3
161.04625	0.4
165.01920	4.3
167.03488	1.6
179.03558	1.0
180.04269	2.8
191.01987	0.5
191.05695	0.3
192.02406	0.4
195.06607	6.3
195.08339	0.5
210.05548	0.6
225.07741	1.9
306.07492	0.3
361.13242	0.4
409.17374	0.5
421.15186	0.9
468.12817	0.5
468.22424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82064	0.5
55.01883	0.5
56.17575	0.5
57.03466	1.1
59.01382	23.3
61.98837	3.3
71.01385	4.3
71.54831	1.0
73.02944	1.5
78.91904	3.1
83.01405	0.7
85.02947	8.8
87.00875	0.8
89.02422	2.8
90.32406	0.7
93.03461	4.5
96.96013	0.8
97.02958	0.5
99.00867	0.6
101.02450	3.6
111.04585	0.9
113.02451	1.6
119.03461	0.8
125.09731	1.2
127.04047	0.6
127.11289	2.1
133.01439	0.5
134.03740	1.6
135.04524	1.2
138.05545	0.6
141.62648	0.5
147.03021	1.4
151.11261	2.4
155.03540	0.6
161.04533	1.4
169.10860	0.8
169.12335	22.1
171.10265	100.0
172.10591	2.5
173.04535	5.3
187.07649	1.4
191.01961	2.3
191.05589	12.4
213.11340	2.9
226.91898	0.6
231.10229	0.9
231.12328	7.9
232.12737	0.8
235.08124	0.7
253.09290	6.8
257.08200	1.8
275.09262	1.6
293.10339	1.9
407.19183	1.6
446.14929	0.7
449.14301	3.1
449.20328	3.6
467.21304	78.2
468.21710	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	467.2495
Annotation	Halisulfate 9
Peak:m/z	Relative Intensity
55.01870	4.5
57.03447	9.4
58.00584	1.3
59.01377	26.3
60.99303	0.4
61.98823	1.8
67.01871	0.9
68.99805	0.7
69.03456	1.3
70.45291	0.7
70.45645	1.1
71.01379	36.2
72.01704	0.4
72.99298	2.5
73.02942	19.8
75.00869	1.3
81.03437	0.5
83.01382	9.9
84.02166	1.1
85.02946	73.8
86.00089	1.3
86.03265	0.7
87.00863	3.6
89.02444	6.9
93.03457	6.0
95.01373	3.5
96.95997	1.4
97.02950	1.5
98.20655	0.4
99.00872	11.0
101.02437	34.9
102.02782	0.4
103.00381	1.0
105.03468	0.4
109.02917	0.4
111.00872	3.2
111.04497	0.6
112.01704	0.7
113.02447	16.0
115.00357	0.6
119.03530	0.6
124.37213	0.4
125.02450	1.3
129.01939	5.6
131.03496	0.9
133.01363	0.8
133.02975	1.4
134.03726	3.8
135.04514	1.3
137.02444	1.3
141.01939	0.6
143.03496	1.1
147.02971	6.2
149.04553	0.5
155.03462	0.8
159.02988	3.6
161.04539	10.8
161.67908	0.3
165.68723	0.4
171.10263	0.5
171.13902	0.8
173.04538	6.7
173.15431	1.0
177.01894	1.1
178.02681	1.9
179.03510	0.8
191.01962	17.2
191.05533	2.4
192.02312	0.6
205.03589	0.5
209.03047	0.5
215.16571	0.5
231.10167	0.9
268.03781	2.2
269.04520	1.0
275.09229	1.2
293.10208	1.9
320.58731	0.4
335.20724	56.0
336.21045	3.3
431.09851	2.8
449.55200	0.4
467.24908	100.0
468.25278	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
57.03441	0.6
58.00588	0.5
59.01377	50.2
61.98833	1.5
66.52250	0.3
70.13231	0.4
70.13573	1.3
71.01378	10.7
71.05013	0.3
72.99326	0.6
73.02940	4.2
75.00887	0.8
83.01380	2.7
85.02945	5.9
86.00105	0.4
87.00887	0.9
88.98798	0.5
89.02456	1.3
92.63824	0.3
95.01391	0.6
97.02944	0.5
98.19911	0.3
98.64642	0.3
99.00868	2.3
101.02437	10.9
101.56205	0.3
106.95151	0.3
111.00887	1.2
113.02445	4.8
115.00313	0.4
119.03533	0.5
125.02388	0.5
133.01430	0.3
156.95432	0.3
159.02997	0.8
161.04526	1.4
165.49602	0.3
197.11832	0.4
243.19650	1.0
285.12158	0.4
285.20703	0.5
287.12820	0.4
303.21759	1.2
323.76270	0.3
331.11865	0.8
333.19122	0.6
405.24820	3.6
447.25912	4.6
465.26999	100.0
466.27402	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	466.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.2
60.21076	0.3
61.98829	100.0
64.21903	0.3
69.65750	1.9
71.01384	1.4
75.00871	0.3
77.79874	0.3
83.52249	0.3
85.02955	0.5
89.02454	0.9
96.96003	2.3
101.02456	0.9
113.02460	0.6
119.05045	0.7
210.05640	0.4
406.21518	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26843	0.5
51.44027	0.4
55.01884	2.7
57.03431	1.6
59.01378	17.1
61.98837	3.1
61.99102	0.6
65.02242	0.5
69.26417	3.8
71.01383	12.2
71.04992	0.5
72.01711	0.5
72.35732	0.4
72.99299	1.6
73.02945	4.3
73.22578	0.3
75.00874	0.7
83.01388	3.8
85.02948	8.1
86.00090	0.5
87.00865	1.7
89.02438	2.6
91.06275	0.5
94.98118	0.6
95.01382	0.8
96.96014	2.5
97.02905	0.4
99.00869	1.8
101.02441	12.2
111.00855	1.6
113.02444	3.7
113.09709	1.0
116.36374	0.4
119.03484	0.5
125.02484	0.5
129.09293	0.4
135.04468	0.4
143.10803	2.7
149.04581	0.5
152.90230	0.4
153.12767	0.5
159.02968	0.6
159.32848	0.5
160.63165	0.5
161.04510	1.0
169.33162	0.4
175.76669	0.5
183.28430	0.4
209.11838	1.7
210.12169	0.8
211.12364	0.5
228.13220	0.6
229.13371	1.0
285.20648	5.4
286.21240	0.6
303.21780	6.5
333.18848	0.6
361.88467	0.5
429.17444	0.5
429.25119	0.7
447.25970	14.8
448.26379	1.2
463.25406	0.5
465.27060	100.0
466.27417	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	465.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09205	1.2
57.03442	7.4
58.00599	2.7
59.01379	89.3
61.98828	28.5
69.24465	9.6
71.01378	37.0
72.99311	3.8
73.02955	3.6
73.54942	1.1
75.00900	1.0
76.65134	1.1
83.01382	2.9
84.95120	2.6
85.02955	8.4
85.06582	1.9
87.00868	2.1
89.02447	38.9
95.01431	2.5
96.96024	5.2
98.20766	1.8
99.00913	1.5
101.02434	25.5
113.02448	14.7
119.03487	20.1
125.02486	1.5
131.03415	1.5
131.07166	8.7
135.04532	8.9
143.03514	4.1
145.05020	1.3
159.02936	1.6
161.04556	8.9
164.07281	1.3
167.10777	3.4
179.05629	8.5
204.65697	1.2
224.70099	1.2
226.74161	1.3
230.47913	1.3
243.16026	5.5
285.12473	1.8
311.72546	1.7
320.98395	1.2
333.15396	1.7
403.15820	1.3
405.21283	100.0
406.21622	5.3
429.14551	1.5
465.07275	1.8
465.18765	2.7
465.24188	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	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18894	0.3
57.03445	1.4
59.01377	100.0
60.01715	0.7
61.98827	1.4
69.59809	1.0
69.60208	1.7
71.01381	7.8
72.99326	0.7
73.02918	0.6
85.02949	1.4
87.00902	0.5
89.02439	12.6
95.01378	0.5
96.96004	5.3
101.02440	4.9
113.02431	4.2
119.03493	5.8
131.03484	0.5
134.07445	0.5
143.03531	1.5
149.04539	0.4
149.09697	2.2
153.09224	1.0
161.04527	2.8
167.10785	4.7
179.05598	5.1
210.05620	0.6
225.15042	1.2
243.15833	0.9
311.52466	0.4
405.21268	8.1
465.23566	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	465.128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	12.5
61.98830	10.4
69.03444	0.3
69.97558	1.3
71.01383	4.3
72.99312	0.6
73.02949	0.8
78.12830	0.2
78.95903	1.8
79.95741	2.8
83.01399	0.3
85.02944	0.9
87.00883	0.5
89.02448	4.0
90.50335	0.3
96.96013	100.0
96.96896	4.0
98.95583	0.6
99.00865	0.4
101.02449	2.6
113.02438	2.2
115.00411	0.5
116.92894	0.3
119.03509	2.1
119.05014	0.6
120.99676	0.6
121.02910	0.3
122.99242	0.6
143.03511	0.6
148.92648	0.3
161.04588	1.3
163.03955	0.3
165.54443	0.3
179.05560	1.3
185.02243	0.3
186.08633	0.3
191.05580	0.3
243.16092	0.4
249.28741	0.3
285.13269	0.7
303.11481	1.8
303.14581	1.6
345.15295	0.3
367.16049	0.3
405.16653	0.5
405.21356	6.2
406.21725	0.3
465.17477	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	5.4
59.01378	88.1
60.53885	1.9
61.98831	18.3
69.03439	2.1
71.01376	48.4
71.55511	2.7
72.99306	3.8
73.02934	5.1
78.61246	1.9
83.01366	2.5
85.02955	11.7
87.00871	4.0
89.01932	3.1
89.02443	49.8
92.39511	2.1
95.01372	5.1
96.95981	6.6
97.06563	3.2
99.00856	4.0
101.02444	23.1
102.02722	2.3
113.02443	17.1
119.03491	14.7
125.02435	2.2
125.09711	29.1
131.03462	3.9
133.01355	2.1
135.04469	7.0
143.03464	4.1
149.04578	2.6
161.04494	8.1
167.10698	5.6
171.10220	1.9
179.05560	8.9
185.11810	91.5
186.12128	4.4
191.05487	2.4
195.06607	2.7
201.11433	1.9
207.13914	1.8
225.14993	9.7
229.10785	4.2
229.14369	5.8
253.09201	9.6
321.15219	3.1
405.21289	72.0
406.21356	5.3
444.85992	2.0
465.19562	100.0
466.19864	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	464.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.8
60.01715	0.6
61.98827	100.0
69.37011	0.9
69.37413	2.8
71.01376	4.3
73.02951	0.9
82.76509	0.4
85.02960	1.4
87.00860	0.5
89.02441	4.1
96.96004	6.0
99.00922	0.6
101.02442	2.5
113.02474	1.6
119.03509	1.5
135.04518	0.5
143.03514	0.5
145.57478	0.4
147.00984	0.5
148.01678	0.9
148.90994	0.7
151.03967	0.6
152.06792	0.5
158.41147	0.4
161.04597	2.2
162.04913	0.5
176.01224	1.7
179.05606	0.6
205.12422	0.7
206.12645	1.4
223.13478	1.7
224.13786	1.6
241.14529	1.3
242.14804	1.3
249.84399	0.5
250.94252	1.2
266.91574	0.6
301.88498	1.7
404.20200	0.7
405.21432	3.7
428.15845	0.7
463.94131	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	463.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	88.1
61.98826	20.8
71.09595	26.8
76.74826	13.7
78.95900	41.7
96.95972	19.9
101.02380	19.6
105.11108	16.9
124.23799	12.2
127.04043	22.1
142.13631	13.1
209.11780	100.0
217.00224	39.6
227.13004	16.5
295.22742	28.5
299.16040	16.0
317.17325	15.1
463.30234	14.2
464.27661	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09412	0.2
59.01371	0.6
60.01717	0.2
61.98829	100.0
64.15069	0.2
69.35082	0.2
69.35450	1.4
69.94849	0.2
74.24894	0.1
79.63556	0.2
89.02488	0.2
158.74348	0.2
164.05391	0.2
166.69069	0.2
264.56403	0.2
283.10971	0.2
344.13608	0.2
374.14377	0.3
464.17667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55379	0.6
57.03453	1.0
59.01366	2.4
69.41508	5.0
78.95899	23.4
81.03206	0.6
84.84101	0.6
104.97459	1.1
110.07425	0.6
110.98531	18.5
111.63018	0.6
113.09714	2.4
136.03888	0.7
167.01126	18.5
179.14406	1.8
185.02170	4.5
195.13890	20.6
277.21707	18.1
278.22107	1.2
295.22769	100.0
296.23105	6.3
463.24646	68.8
464.24982	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	463.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55780	0.2
55.01879	0.5
57.03424	0.4
58.00589	0.3
59.01375	7.8
59.83289	0.3
61.98814	0.5
62.71313	0.2
69.30109	1.0
69.30533	1.3
71.01379	4.5
71.05025	0.2
72.99291	0.6
73.02946	1.1
80.02668	1.0
80.59636	0.2
80.89982	0.2
81.03441	1.1
83.01393	0.8
83.05020	4.3
84.02164	0.8
85.02953	1.3
87.00852	1.0
89.02438	5.0
93.03431	0.3
95.01322	0.3
95.05013	0.4
97.02968	0.3
98.19940	0.5
99.00869	0.4
101.02433	3.9
113.02429	1.7
119.03510	0.6
121.02883	0.3
125.06085	0.4
130.27301	0.3
131.03465	0.7
133.71242	0.3
135.08061	0.7
149.04576	1.4
149.55191	0.3
151.11398	0.3
157.57938	0.3
160.83829	0.3
161.04578	1.2
163.11287	3.3
165.12869	2.3
169.35478	0.2
179.05531	0.5
179.46172	0.3
181.12367	0.5
191.05655	0.3
191.10760	1.0
199.13358	1.2
209.11806	100.0
210.12163	4.4
227.12869	20.2
228.13161	1.0
235.08157	0.5
253.09271	12.2
254.09523	0.3
301.06854	0.3
353.16885	0.3
382.79636	0.3
445.24527	0.3
463.21582	1.3
463.26224	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.7
59.01377	100.0
61.84477	1.6
61.98815	4.7
71.01379	51.3
71.08773	1.4
71.09109	2.5
73.02937	10.2
79.20890	1.2
82.94447	1.2
83.01379	2.8
84.02158	4.7
84.12103	1.2
85.02947	11.4
87.00867	1.7
89.02445	13.1
95.01406	2.9
96.96005	11.4
98.68552	1.4
99.00875	2.1
99.04504	3.2
101.02439	22.7
113.02441	17.1
119.03513	3.5
120.99655	1.6
121.06602	1.8
134.66801	1.5
137.09808	1.4
139.07611	2.7
141.07059	1.5
143.03477	2.9
147.11824	2.2
159.03032	3.1
161.04541	43.0
165.09167	1.8
173.40565	1.5
175.11266	1.3
177.12874	7.0
179.05559	4.5
179.10715	7.3
187.11198	1.6
188.08397	3.9
205.12326	44.1
206.12546	1.5
223.13377	76.7
224.13690	2.3
241.14439	84.1
242.14758	2.9
250.26266	1.9
329.15909	2.4
403.19662	20.1
453.25275	1.4
466.62466	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
56.75637	0.2
57.03452	0.3
58.00582	0.6
59.01376	9.0
65.60085	0.3
69.03428	0.3
69.70503	1.3
71.01379	6.7
72.99304	0.3
73.02939	1.7
78.53979	0.2
79.23830	0.2
79.67686	0.2
80.02670	0.9
80.09312	0.2
81.03463	1.4
83.01395	0.5
83.05022	4.6
84.02158	0.9
85.02948	0.9
87.00860	0.7
89.01927	0.5
89.02441	7.4
92.29433	0.3
95.01353	0.4
95.05040	0.7
97.02948	0.6
98.20614	0.6
99.00860	2.1
99.25152	0.3
101.02444	5.3
113.02435	2.3
119.03489	0.8
125.02442	0.4
125.06092	0.8
131.03479	1.2
135.08159	0.9
143.03508	0.5
149.04561	3.3
161.04535	1.9
163.11284	2.9
164.11539	0.5
165.12863	2.1
179.05614	0.7
181.12297	0.6
191.05656	0.8
191.10741	1.0
199.13380	1.2
209.11816	100.0
210.12140	4.3
227.12877	20.6
228.13231	1.0
251.07758	0.3
253.09291	14.3
254.09654	0.5
301.16635	0.7
417.12537	0.3
463.21667	3.9
464.22012	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.5
57.03448	3.6
58.00589	2.2
59.01378	58.0
60.01702	0.5
61.98823	1.4
62.36386	0.6
64.67263	0.6
69.03452	2.1
69.50783	3.6
71.01379	64.2
72.01726	0.9
72.99306	3.3
73.02943	20.8
73.75063	0.6
75.00872	48.0
76.20403	0.5
81.03456	0.9
83.01370	5.9
83.05051	0.5
84.02135	0.7
85.02947	20.6
87.00874	3.8
89.02444	44.6
95.01378	4.4
97.02914	2.8
99.00880	33.1
101.02440	37.7
111.00878	2.0
113.02448	26.6
113.03256	0.9
114.02777	0.7
115.04018	1.6
119.03506	9.6
125.02426	4.0
129.01971	1.2
131.03505	9.9
134.03755	0.8
143.03476	3.2
149.04550	22.0
159.02991	3.6
161.04552	24.5
162.04900	0.8
178.84814	0.5
179.05621	3.2
181.12279	0.8
183.13794	0.6
191.05611	13.7
193.05055	1.1
193.12291	0.6
199.13385	7.4
208.03619	0.6
209.11768	5.3
211.13449	0.6
223.13557	0.8
227.12881	32.3
228.13184	0.9
233.06688	5.1
241.14468	1.7
253.09276	3.9
258.18210	0.6
293.08768	2.1
297.19861	0.6
301.16489	1.5
331.17578	18.7
332.17987	1.2
403.19736	2.1
463.21814	100.0
464.22083	7.4
473.36258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35122	0.5
55.01869	0.6
59.01379	9.8
66.69821	0.5
68.00911	0.5
70.38880	0.5
70.39741	0.9
70.40092	1.4
71.01386	6.1
72.99351	0.4
73.02939	2.0
78.14742	0.5
83.01389	0.6
85.02951	1.4
87.00880	0.6
88.06664	0.6
89.02461	5.6
93.38586	0.4
101.02452	6.1
111.08157	0.8
113.02438	3.2
119.03481	0.6
119.91312	0.5
122.68237	0.5
125.02469	0.5
127.15298	0.5
127.75800	0.5
136.09682	0.5
161.04512	1.8
165.12862	7.6
179.05624	0.7
183.13893	100.0
184.14197	3.5
209.11743	2.4
227.12846	8.8
235.08223	1.3
253.09273	7.3
254.09563	0.5
344.87778	0.5
427.54428	0.5
445.20703	1.1
463.21835	83.8
464.22098	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	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
57.03445	0.5
59.01108	0.3
59.01383	4.9
61.02952	0.2
64.16316	0.2
69.03483	0.3
70.08750	0.3
70.09102	0.8
71.01376	3.3
72.99297	0.3
73.02937	1.1
83.01398	0.4
85.02956	1.2
87.00871	0.3
87.34747	0.2
89.02444	2.6
94.70405	0.2
95.01383	0.4
97.02995	0.2
97.06600	0.3
99.00878	0.4
101.02440	3.5
103.40650	0.2
111.08169	0.8
113.02467	1.6
119.03508	1.0
133.05128	0.4
143.03484	0.2
157.05130	0.2
161.04536	1.2
165.12842	9.7
166.13080	0.2
183.13892	100.0
184.14218	4.1
209.11823	1.5
227.12874	9.4
228.13278	0.3
235.08211	1.2
253.09265	4.7
301.16641	0.3
390.63058	0.2
445.20831	0.7
463.21826	68.2
464.22180	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	462.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88206	0.3
59.01379	6.9
59.11721	0.3
60.01709	0.3
61.98828	100.0
67.32724	0.3
71.01397	1.0
71.55618	0.4
72.01353	0.3
73.02953	0.3
75.47473	0.3
78.95904	0.5
85.02961	0.3
85.69151	0.3
87.96928	0.3
89.02466	0.4
91.05550	0.3
92.87980	0.3
96.96014	0.5
101.02446	0.4
133.02977	0.4
140.11205	0.3
152.99646	0.3
162.83931	2.8
187.13483	0.6
194.82503	0.3
207.10335	0.4
208.10484	0.4
209.11885	0.6
227.12958	0.6
253.09332	0.3
284.03210	0.7
285.03958	2.7
316.68149	0.3
329.23334	0.6
463.10153	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	462.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01075	0.8
59.01375	16.7
59.37585	0.5
60.01708	1.2
61.01791	1.4
61.98828	100.0
69.35143	2.6
69.35563	1.4
71.01365	2.6
73.02951	1.3
80.93060	0.5
85.02971	0.9
89.02457	2.0
94.43794	0.6
99.00885	0.8
101.02443	2.3
101.80894	0.5
102.07368	0.6
113.02424	0.7
124.26492	0.5
168.11079	0.6
172.72987	0.6
179.05640	0.5
209.11832	2.4
256.03320	0.7
283.19107	0.9
285.03763	0.7
300.05847	0.6
317.74854	0.5
351.96185	0.6
403.23380	0.7
462.11578	1.0
463.25403	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	461.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	1.1
59.01376	15.2
60.58558	1.1
66.14337	1.1
69.48357	7.4
71.01382	18.9
73.02940	5.2
73.05027	0.9
81.38796	0.9
83.90042	1.2
85.02950	4.8
87.00906	1.3
89.02449	16.4
96.59283	1.1
96.95981	1.3
101.02448	19.1
110.75769	1.1
113.02457	1.5
119.03532	5.2
131.03477	1.7
148.28403	1.1
151.73315	1.1
163.06114	4.5
181.07187	100.0
182.07507	2.1
279.23291	8.1
281.23810	1.6
293.24915	2.9
461.36911	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01324	2.8
62.32496	0.7
69.37419	1.5
69.37833	5.0
71.01361	1.3
75.00829	1.0
75.58958	0.7
78.95902	28.8
94.98967	0.8
97.02898	1.0
104.97440	1.2
109.06532	2.7
110.98524	25.7
138.29947	0.7
148.05005	0.7
163.11171	2.8
167.01138	25.9
179.14252	0.7
181.12360	1.2
185.02200	6.5
195.13902	13.5
196.14479	1.0
205.12233	1.5
207.10265	10.3
218.17130	0.8
223.13365	10.1
224.14116	0.9
225.11288	6.3
226.11659	0.7
253.09262	2.8
256.13132	1.7
275.20087	7.1
283.02588	0.9
293.21210	100.0
294.21539	6.1
318.02390	0.7
368.34644	0.8
392.16116	1.7
461.23178	77.3
462.23685	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	461.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
70.39966	93.8
72.17081	32.7
92.33289	31.0
97.56737	31.7
109.06578	34.9
135.03014	60.4
146.61041	34.2
207.10188	51.9
225.11362	58.9
240.16226	30.9
280.77563	33.4
293.21283	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67035	0.2
55.01876	0.7
57.03450	0.6
58.00579	0.2
59.01377	100.0
60.01716	0.8
61.98826	2.0
69.03449	0.3
70.29913	0.8
71.01378	7.9
72.99327	0.3
73.02943	2.7
75.00887	0.3
83.01391	1.4
85.02946	4.8
86.00093	0.4
87.00887	0.5
89.02444	1.7
95.01383	1.0
97.02958	0.5
99.00871	1.1
101.02442	5.4
108.33311	0.2
109.06616	0.5
111.00868	0.3
113.02437	4.7
115.04030	0.3
116.57104	0.2
119.03506	0.5
120.02475	0.2
124.01634	0.2
125.02460	0.9
140.65176	0.2
143.03450	0.9
159.02977	0.2
161.04552	1.6
163.06276	0.2
163.11354	0.3
171.10210	0.2
181.12383	0.2
195.13928	0.3
196.14227	0.2
197.14592	0.2
205.12357	0.3
207.10242	1.2
223.13358	2.0
224.13757	1.5
225.11397	0.8
225.14012	1.5
235.42987	0.2
240.98936	0.2
253.09268	0.5
255.03024	0.2
255.09947	0.4
257.21198	0.4
299.05634	0.3
299.22244	0.3
313.13110	0.2
315.19638	0.2
327.21863	0.7
401.25403	12.8
402.25848	0.8
417.21179	0.3
419.26474	9.5
420.26611	1.0
461.11063	0.4
461.21420	0.3
461.28265	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00042	0.6
59.01328	2.2
69.79165	0.5
70.29884	2.3
71.01356	0.7
73.35184	0.5
76.66011	0.6
78.95906	14.9
92.64429	0.6
96.95966	0.6
104.97452	0.7
109.06539	2.6
110.98534	11.7
111.08073	0.7
113.09669	0.6
160.78993	0.6
163.11200	1.2
167.01132	8.6
167.10742	0.6
179.14510	1.2
185.02206	6.0
195.12276	0.8
195.13885	9.6
196.14511	1.2
205.12335	1.2
207.10303	5.9
211.13365	0.7
223.13376	7.7
225.11284	3.6
231.20981	0.9
235.17020	1.7
253.09200	1.2
256.13126	1.4
265.21539	0.9
269.76563	0.6
275.20148	7.6
293.21225	100.0
294.21512	5.5
453.31723	0.6
461.23196	41.9
462.23596	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	461.231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.0
59.01381	6.4
61.98840	3.3
70.03867	1.5
70.04285	3.1
70.90223	0.8
71.01392	1.4
78.95902	20.9
80.74112	1.0
96.96009	10.0
109.06587	5.7
110.98534	12.0
113.09721	17.1
125.09569	0.9
139.11226	1.7
163.11331	2.6
165.77101	1.0
167.01152	14.7
167.10785	2.4
179.10802	2.0
185.02193	4.9
185.11890	1.3
195.13991	3.1
207.10208	11.9
211.13573	1.2
225.11301	7.2
249.11174	1.0
249.22308	1.6
253.09312	2.2
283.02533	1.4
293.21231	100.0
294.21692	4.1
311.22421	1.2
461.23325	42.1
461.29828	2.0
462.23456	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.9
59.01378	100.0
59.44189	0.6
59.58923	0.7
60.01710	0.8
61.98825	8.5
62.00298	0.7
69.03473	0.9
71.01379	15.9
72.99312	1.5
73.02946	8.7
83.01405	4.3
85.02943	6.1
87.00898	2.2
89.02447	6.4
94.44057	0.6
95.01397	2.0
96.96017	1.3
97.02957	1.0
99.00888	1.8
101.02444	12.7
101.03097	0.9
109.06621	2.2
113.02448	6.6
119.03522	2.8
125.02440	0.7
128.21690	0.6
131.03526	0.7
161.04634	1.9
163.11249	1.2
195.13899	4.3
207.10225	7.2
213.15001	2.0
225.11273	4.3
253.09303	1.4
255.03018	1.1
283.02390	0.7
284.03302	1.4
299.05701	0.9
341.79474	0.8
345.13608	0.9
357.19061	4.5
375.20166	10.4
386.01709	0.7
401.25513	7.3
417.21274	39.7
418.21948	3.0
419.26514	5.6
461.10910	1.3
461.19858	1.5
461.24872	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59614	0.6
56.75932	0.7
59.01105	1.1
59.01381	15.0
61.98826	1.9
69.03465	0.9
69.35681	0.6
71.01372	5.5
73.02926	0.7
78.95901	4.1
80.02681	0.9
81.03441	2.8
83.01369	1.1
83.05045	3.1
84.02196	0.9
85.02966	1.5
89.02443	4.2
96.96017	1.1
97.02950	7.5
99.00900	1.6
101.02438	5.0
109.06592	31.0
110.03743	1.5
110.06930	0.5
113.02441	2.2
119.03490	1.3
121.06606	2.1
123.04491	0.6
135.08157	3.3
136.05328	1.2
142.02693	2.2
143.66550	0.6
145.10176	0.8
150.54697	0.7
152.99565	6.0
161.04556	2.4
161.09644	1.4
163.11282	16.9
164.11560	1.1
165.47044	0.6
179.05566	0.9
179.10764	0.9
181.12325	5.7
189.09183	2.1
201.67934	0.7
207.10246	100.0
208.10542	4.7
225.11310	60.8
226.11685	2.3
235.08180	1.2
243.12375	1.2
253.09279	20.4
255.02972	0.8
283.02539	0.6
285.04416	0.6
293.21277	1.2
299.14972	2.2
312.87863	0.7
327.16367	0.6
327.21896	0.6
443.19067	0.7
461.20236	58.5
462.20721	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	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23208	0.5
56.29121	0.6
58.11044	0.5
59.01380	13.1
61.98847	0.7
63.31227	0.5
69.03448	0.6
69.89336	2.7
71.01392	4.4
73.02926	0.7
78.95933	1.1
80.02702	1.1
81.03473	2.1
83.01389	0.9
83.05045	2.2
85.02968	1.7
89.02439	4.7
94.64217	0.6
95.05029	0.6
97.02945	5.3
99.00901	1.2
101.02451	5.0
106.04258	0.6
107.05035	1.0
109.06592	31.3
110.03745	1.7
110.06895	0.6
110.98527	1.1
111.04552	0.7
113.02434	2.7
115.08276	0.6
117.19691	0.5
119.03522	1.3
121.06614	2.0
123.04560	0.8
128.90656	0.6
129.55212	0.7
135.08154	3.3
136.05313	1.7
142.02721	1.6
151.07518	0.7
161.04558	2.4
161.09709	1.4
163.11287	18.5
167.01204	0.6
167.54985	0.6
170.31650	0.7
179.05583	1.0
179.10770	0.9
181.12378	5.2
189.09233	1.7
195.13875	0.6
207.10252	100.0
208.10626	3.7
209.11777	1.2
223.13281	0.6
225.11317	59.4
226.11646	2.0
235.08171	0.9
243.12428	1.7
253.09282	18.2
254.09499	0.7
255.02962	0.7
275.20081	2.7
281.43350	0.6
293.21228	10.0
299.14871	1.8
443.19046	1.9
461.20200	59.3
462.20703	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	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64590	0.4
55.01873	0.6
57.03452	0.8
58.00591	0.4
59.01378	18.9
61.98819	1.0
63.02409	0.8
68.99574	1.9
69.03477	0.4
69.51421	2.2
71.01378	9.1
71.05020	0.7
72.99320	1.0
73.02957	2.9
81.03465	1.1
83.01392	1.8
83.05040	1.4
85.02969	2.8
87.00882	1.4
89.02441	4.7
95.01406	0.8
95.05029	0.6
96.96001	0.5
97.02946	7.0
97.06606	0.9
98.05995	0.3
98.20625	0.7
99.00877	8.3
101.02443	7.2
107.01384	1.1
109.06592	14.6
110.03702	2.3
112.98573	1.9
113.02461	3.4
113.06074	0.8
115.00410	0.5
117.01798	0.4
119.03486	1.8
121.06583	1.0
123.08138	0.6
125.02406	0.5
125.09700	2.3
131.03465	0.4
134.03696	0.8
135.08147	2.2
136.05296	0.7
142.02771	2.3
143.03506	0.6
145.10240	0.6
151.00372	1.2
158.82214	0.4
161.04564	2.6
161.09723	1.2
163.11278	12.5
167.66963	0.3
171.07990	0.4
179.05646	0.5
179.10727	0.7
181.12329	14.7
189.09193	0.9
197.11855	0.6
199.13383	1.1
207.10248	69.5
208.10634	2.7
209.11761	0.5
225.11308	100.0
226.11642	4.2
227.03618	0.9
235.08235	1.7
239.16585	0.7
243.12364	9.0
253.09283	13.4
255.02979	19.1
256.03589	2.9
269.04599	0.9
283.02475	12.2
284.03247	67.0
285.03656	4.0
297.04001	3.2
298.04745	3.7
299.05594	64.2
299.14828	1.3
300.06000	3.2
313.03558	0.9
317.16125	0.9
341.06424	0.6
401.21771	0.8
419.22702	0.7
443.19061	0.4
446.08499	3.7
447.08902	0.6
461.10831	18.1
461.20309	54.3
462.11200	1.4
462.19989	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1089
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
56.20804	0.2
59.01378	4.1
63.02404	0.3
65.00325	0.3
68.02620	0.2
69.08159	0.2
69.57286	1.2
70.00423	0.2
71.01396	1.1
75.00874	0.3
75.05765	0.2
83.01413	0.3
85.02941	0.4
89.02446	0.8
97.02999	0.3
101.02435	0.9
109.06575	0.7
112.69039	0.2
113.02420	0.6
132.02133	0.3
149.02466	0.3
151.00395	0.5
163.11327	0.3
183.04578	0.3
207.10312	2.3
211.03993	0.3
225.11317	1.7
227.03566	0.3
238.05127	0.2
253.09221	0.4
255.02965	78.6
256.03378	4.8
268.03705	0.7
269.04492	4.2
281.04523	0.6
283.02457	59.8
284.03134	11.9
285.03986	2.2
297.04016	12.4
298.04791	15.3
299.05563	7.9
300.05890	0.4
313.03510	5.2
314.03781	0.4
327.05164	0.6
341.06924	0.4
370.11850	0.3
446.08527	19.0
447.08667	1.5
461.10861	100.0
461.24261	5.6
462.04724	0.4
462.11206	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	460.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86399	0.2
59.01381	4.4
61.98829	100.0
64.24653	0.3
71.01361	2.6
73.02949	0.5
81.93973	0.3
82.09851	0.2
85.02979	0.6
87.00863	0.3
87.62529	0.2
89.02440	2.3
93.03489	0.4
94.21016	0.3
95.01410	0.3
96.96008	4.4
97.09792	0.3
101.02462	1.7
113.02451	1.1
115.00392	0.3
119.03476	0.7
135.04536	0.7
137.02473	0.6
143.03520	0.4
161.04617	0.6
177.01892	0.5
178.02312	0.5
179.05649	1.5
179.07068	0.4
179.10822	0.3
235.08313	0.3
256.07547	0.4
285.10242	0.3
300.12445	0.4
342.98553	0.3
392.95050	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59136	0.5
54.74093	0.6
55.01878	1.3
57.03437	0.6
58.00595	0.7
59.01378	15.1
67.17826	0.6
71.01009	1.4
71.01381	18.0
71.25805	0.5
72.99306	0.6
73.02944	3.5
75.81435	0.5
78.73029	0.5
83.01373	1.3
85.02956	4.3
89.02448	14.5
89.56147	0.5
97.02919	0.8
98.46645	0.5
101.02448	19.2
103.70776	0.7
109.99309	0.7
113.02460	1.4
117.53094	0.6
119.03500	2.7
131.03482	1.9
163.06117	5.5
179.05678	0.6
181.07173	100.0
182.07494	2.2
277.21756	6.2
278.22430	0.6
279.22391	1.0
459.36108	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	460.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	23.0
61.98826	34.4
69.20324	8.2
71.01380	31.7
71.01778	1.6
72.99302	1.3
73.02935	2.5
83.01393	0.9
85.02927	3.1
87.00870	1.4
87.03405	1.1
89.02446	14.1
93.03460	3.2
96.95380	2.1
96.96005	34.1
98.02451	1.0
99.00885	1.3
101.02442	8.2
108.02176	1.2
109.02940	9.0
110.03353	0.9
113.02439	5.4
115.00371	15.2
117.05132	0.9
119.03482	5.5
119.05018	6.0
123.04525	1.0
130.52969	1.0
133.01447	6.1
134.03763	1.5
135.04526	9.0
136.04823	1.4
137.02412	1.2
137.06009	2.4
139.54054	1.0
143.03511	0.9
145.02951	3.1
146.03693	1.2
147.04500	3.0
149.04619	1.1
149.05939	0.9
151.03993	1.5
151.07588	1.9
152.07153	1.3
153.09137	2.2
159.04549	1.3
161.04510	3.1
162.05598	18.2
162.06938	1.1
162.97366	0.9
163.03963	5.2
165.05698	0.9
172.05255	1.1
179.03505	1.2
179.05632	3.3
181.08653	1.5
185.05936	2.0
194.27129	1.1
199.04002	1.7
199.07651	1.3
203.10797	2.1
209.06184	2.1
212.04762	1.6
213.05533	5.7
221.11752	3.3
224.04723	1.7
227.07137	3.5
237.05565	3.9
238.06319	2.3
239.07146	2.2
239.10770	1.7
239.12891	2.0
240.04185	5.1
241.05028	12.3
242.05769	2.9
254.05757	2.2
255.06602	49.6
256.07382	68.4
257.07819	4.5
257.11972	1.7
269.08145	19.9
271.09738	30.6
272.10013	1.6
285.10062	34.1
286.10333	1.7
298.10425	1.7
300.12381	65.3
301.12680	3.4
344.11356	100.0
345.09341	13.1
362.20718	0.9
401.18268	4.7
424.18463	2.9
460.16946	1.9
461.12888	3.5
461.19772	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
55.01878	0.5
56.26692	0.1
57.03445	0.4
58.00588	0.2
59.01379	100.0
60.01712	0.7
61.01847	0.1
61.98835	0.3
69.03456	0.3
69.38609	0.6
69.39028	0.4
71.01382	7.5
72.01771	0.1
72.99313	0.5
73.02947	2.7
79.95741	0.1
83.01389	1.4
85.02955	3.2
87.00906	0.4
87.04536	0.5
89.02451	2.7
95.01385	0.7
96.96051	0.2
97.02969	0.4
99.00861	0.7
101.02442	5.4
101.06105	0.6
111.00909	0.3
113.02449	3.0
115.00409	0.2
119.03487	1.0
121.03085	0.1
124.01612	0.1
125.02473	0.6
126.07529	0.1
131.03496	0.1
133.01428	0.2
133.23561	0.1
133.69514	0.1
135.04520	0.2
143.03497	0.7
149.04573	0.1
159.03015	0.3
161.04556	2.4
172.14920	0.1
179.05627	0.7
179.14314	0.2
195.13887	0.2
223.13376	1.1
237.14807	0.2
255.19749	0.5
297.20932	0.4
363.21945	0.2
381.22745	0.8
399.23874	4.2
400.24481	0.3
417.24911	3.9
418.25464	0.3
423.22119	0.2
459.26160	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79740	0.3
55.16852	0.4
59.01379	100.0
70.55998	1.2
71.01385	7.4
73.02962	0.7
83.01417	0.6
85.02966	1.2
87.00880	0.6
89.02442	10.9
101.02445	6.0
113.02450	3.5
119.03499	5.3
123.01905	0.4
131.03514	0.5
143.03482	0.5
149.04515	0.5
161.04591	3.5
172.41371	0.5
179.05621	2.5
223.13367	0.5
399.23871	7.1
399.28857	0.7
403.14975	0.4
462.06580	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79208	2.8
56.02147	3.0
57.03452	3.6
59.01379	55.2
69.47879	21.3
71.01382	40.1
78.48637	2.8
80.79610	3.7
83.05070	3.3
85.02948	6.1
89.02443	54.6
101.02454	11.5
107.05022	8.0
113.02438	15.0
116.31761	3.2
119.03539	7.2
143.03479	4.8
161.04523	6.3
163.11264	16.0
179.05568	21.2
211.73781	2.8
279.23303	100.0
280.23578	7.3
283.17038	15.9
459.28827	7.0
459.34686	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
57.03455	0.8
58.00573	0.2
59.01377	8.0
69.03452	2.0
71.01380	2.8
71.05017	0.5
71.06432	0.1
71.48575	0.3
72.99287	0.2
73.02943	0.8
81.03461	0.2
83.01396	0.4
83.05024	0.4
85.02947	0.8
85.06588	0.5
87.00879	0.4
89.02450	3.0
93.03477	0.4
94.18938	0.1
95.01401	0.3
95.05032	0.4
97.02929	0.2
97.06602	0.2
99.00890	0.2
101.02444	3.4
108.05780	0.3
109.06586	0.5
111.08147	0.2
113.02444	1.8
119.03512	0.7
125.02481	0.2
125.09708	0.4
131.03482	0.2
135.11815	0.3
141.09212	0.2
143.03505	0.5
149.09723	0.5
161.04553	1.7
161.13354	0.5
167.10768	2.8
177.12843	0.5
179.05649	0.4
179.10788	1.4
179.14412	3.2
195.13895	9.9
196.14215	0.3
205.12318	9.0
206.12691	0.3
223.13377	100.0
224.13712	5.2
235.08144	0.9
253.09279	15.8
254.09607	0.7
399.23871	0.4
437.15887	0.1
459.22351	6.3
460.22961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.67699	0.2
57.03445	0.7
57.67063	0.2
58.00587	0.2
59.01379	100.0
60.01714	0.5
61.98841	0.3
63.10627	0.2
65.72405	0.2
69.03444	0.3
69.31482	1.7
71.01381	8.0
72.99320	0.3
73.02952	2.1
83.01388	1.2
85.02950	4.4
87.00891	0.4
87.04505	1.0
89.02441	2.2
95.01403	0.9
99.00872	1.0
101.02443	3.6
113.02448	6.5
119.03507	0.5
125.02437	0.2
130.44933	0.2
143.03531	0.2
159.03012	0.2
161.04567	2.7
179.05678	0.3
223.13394	0.3
255.19731	0.5
399.18506	0.4
399.23856	9.1
400.24396	0.7
417.24915	4.2
418.25504	0.2
459.22443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10142	0.3
59.01380	100.0
60.01716	0.8
60.77730	0.3
65.68954	0.3
70.66970	0.6
71.01379	4.0
73.02962	1.3
75.39923	0.3
83.01396	0.5
84.63697	0.3
85.02947	0.9
89.02447	6.4
96.44595	0.3
101.02438	3.3
113.02460	2.3
119.03500	3.5
143.03557	0.5
161.04555	1.4
179.05632	1.9
181.75211	0.3
199.08264	0.3
213.78990	0.3
223.13283	0.4
236.78848	0.3
399.24033	1.2
415.19958	0.4
437.24252	0.3
452.83829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
58.00571	1.8
59.01378	100.0
60.18010	1.2
61.98829	16.8
69.03446	1.0
71.01379	41.5
71.05012	1.2
71.56142	1.3
72.23138	0.9
72.99297	4.8
73.02936	6.2
81.73548	1.2
83.01379	2.5
85.02941	6.9
87.00879	8.5
88.98801	1.8
89.02442	47.1
95.01382	1.7
96.96006	12.7
97.02930	1.7
99.00874	2.7
101.02445	26.5
109.02939	1.6
111.04546	1.3
111.08155	2.0
113.02455	15.4
116.07136	1.7
119.03490	16.6
121.10243	1.3
122.02525	1.5
125.02438	2.2
129.09164	1.4
131.03488	3.2
133.01324	1.4
135.04503	2.6
136.05247	1.1
137.02457	1.9
143.03490	3.7
147.11787	1.1
149.04550	4.2
161.04538	3.8
166.05083	18.4
173.13342	9.6
179.05576	6.3
191.05594	1.8
191.14436	2.0
199.14909	15.0
205.08516	1.2
217.15942	14.4
218.16145	1.3
223.09714	3.8
235.16968	2.9
253.09515	1.2
279.15997	28.5
280.16336	2.2
293.08798	4.7
298.16541	5.6
329.06589	2.5
333.03674	1.2
459.22379	58.0
460.22638	5.7
477.54950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
57.03432	0.7
58.00584	0.3
59.01378	15.0
60.01708	0.2
61.98817	0.4
69.03456	2.2
70.62980	0.6
71.01379	5.1
71.05005	0.8
72.99318	0.2
73.02942	1.5
83.01393	0.8
83.05030	0.4
85.02948	1.4
85.06571	0.7
87.00876	0.6
87.82967	0.2
89.02442	4.2
93.03462	0.3
95.01386	0.2
97.06607	0.3
99.00893	0.4
101.02442	4.9
109.06546	0.7
113.02438	2.3
115.00386	0.2
119.03503	1.4
125.09698	0.4
131.03491	0.3
135.11700	0.3
136.38889	0.2
140.78908	0.2
143.03523	0.5
149.09735	0.5
161.04555	1.7
161.13409	0.4
167.10793	2.7
175.05882	0.2
177.12775	0.5
179.05624	0.6
179.10725	1.2
179.14423	3.1
179.15910	0.4
187.11182	0.3
195.13890	9.7
205.12315	9.3
205.14304	0.3
206.12666	0.2
211.13397	0.7
212.13702	0.4
223.13374	100.0
224.13737	3.9
235.08231	0.7
237.11119	0.2
237.15002	0.2
253.09268	16.2
254.09650	0.8
291.18475	0.2
387.81583	0.2
399.24384	0.3
423.22339	5.1
424.22699	0.2
439.82480	0.3
459.22266	6.2
459.28647	0.4
460.22339	0.5
476.32288	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.0
59.01384	33.6
61.98835	41.5
69.86357	3.0
71.01384	33.8
71.54599	3.3
72.99301	17.1
73.02952	7.7
75.00881	2.8
79.95742	4.3
80.96521	35.7
82.95444	3.2
85.02960	7.4
87.00887	6.4
88.98811	6.9
89.02429	31.8
91.00365	9.0
93.03450	14.9
94.98096	5.8
95.01421	3.2
96.96019	60.6
99.00886	32.0
101.02427	16.3
113.02464	20.8
115.00384	13.8
116.92861	6.3
119.03484	6.0
119.04998	9.1
126.73986	3.0
130.31076	3.7
131.03482	4.1
133.01411	8.8
135.04526	99.9
136.04890	4.3
147.04501	7.4
149.04575	20.0
149.06068	47.2
161.04533	15.4
161.05945	5.5
163.03984	5.4
164.98613	7.5
179.03470	7.7
191.05609	9.8
204.55756	3.4
207.06236	4.6
208.96815	5.3
210.98355	8.6
225.00729	7.3
233.06781	5.3
235.06076	4.2
236.96245	7.6
237.07486	9.5
251.08969	6.8
255.06996	7.4
255.10263	22.7
268.07217	3.8
279.08365	5.2
285.09991	8.0
291.14499	5.6
293.08664	5.2
297.09735	4.1
299.09088	30.1
300.12506	28.1
341.08829	8.4
343.08197	35.4
377.06470	3.7
399.04608	11.2
423.05917	3.9
423.18744	100.0
424.18958	7.6
459.04050	10.3
459.15466	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	3.2
59.01377	57.6
62.14834	1.7
69.65055	8.9
71.01382	43.4
72.99300	2.4
73.02947	51.2
82.45596	1.4
83.01372	2.2
85.02940	4.8
87.00878	3.1
89.02441	58.3
92.96002	5.1
93.19718	1.4
95.01386	2.4
96.96036	2.1
98.19876	2.5
98.95572	1.5
99.00866	2.6
101.02437	21.1
102.22921	1.5
113.02454	14.2
116.92879	14.4
116.95948	2.1
116.97279	14.5
117.01955	16.3
118.05074	1.6
119.03510	18.6
121.02972	8.0
125.50007	1.4
131.03488	3.7
143.03502	4.8
149.04466	2.2
161.04546	8.0
164.55783	1.5
176.98079	2.4
179.05605	37.5
186.99564	1.6
328.94482	1.4
341.10892	100.0
342.11148	6.4
399.05762	2.4
459.13715	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96747	0.2
59.01378	5.8
61.98798	0.2
63.10568	0.2
69.29641	1.9
71.01369	0.7
73.02946	0.3
78.95898	0.5
79.95731	2.4
84.12379	0.2
85.02948	0.4
89.02451	0.5
96.96009	100.0
97.95968	0.3
98.19868	0.4
101.02419	0.4
110.60355	0.2
113.02493	0.2
130.08748	2.5
155.10779	0.8
163.11276	0.4
172.09662	0.3
189.05371	0.2
199.07964	0.3
199.09723	2.1
211.16019	0.2
297.06537	0.5
297.44168	0.2
299.41855	0.2
312.00998	0.2
372.18527	0.6
459.21829	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	459.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61765	1.5
59.01379	50.8
60.96992	1.8
70.33229	5.1
71.01006	2.8
71.01379	37.1
71.33910	1.2
72.99319	1.8
73.02945	75.5
76.55193	1.4
76.96482	2.3
83.01379	1.7
85.02941	6.5
87.00877	2.8
89.02444	56.0
89.37149	1.4
92.95984	4.6
95.01356	1.5
99.00887	4.7
101.02450	15.9
105.12374	1.5
113.02448	16.4
116.92883	1.9
116.95976	1.7
117.01940	100.0
118.05103	1.4
119.03504	19.5
127.07989	1.4
131.03468	3.6
143.03453	3.8
160.52020	1.5
161.04553	5.5
169.59677	1.3
176.98061	2.8
179.05605	28.2
180.06006	1.7
207.85959	1.3
341.10855	82.4
342.11279	5.1
354.99963	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	458.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74903	0.3
54.29098	0.2
59.01382	5.1
61.98829	100.0
69.03464	0.3
69.55585	0.5
69.56010	1.0
69.56944	0.2
71.01376	1.2
73.02958	0.4
85.02989	0.3
88.98810	0.3
89.02463	0.8
96.96049	0.4
97.55383	0.2
99.00930	0.3
101.02422	0.6
103.98085	0.3
113.02454	0.5
113.63001	0.2
119.03506	0.4
137.02466	0.5
138.02644	0.2
162.05583	0.5
222.11507	0.3
225.05727	0.3
253.05064	0.6
254.06024	0.6
255.06573	0.4
269.08191	1.9
270.08875	0.3
298.10886	0.7
399.20270	0.3
458.26068	0.4
459.16803	0.3
459.22458	1.2
484.10028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
60.45256	0.3
61.98830	100.0
69.50628	2.0
130.08696	0.3
212.84335	0.3
269.08264	0.8
458.18918	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23400	0.5
53.26719	0.6
56.22983	0.5
59.01382	4.1
61.98831	7.4
63.10162	0.5
69.03453	0.5
69.64195	3.2
71.01374	2.3
73.04074	6.5
74.02487	1.6
75.00858	1.2
78.95906	1.8
85.04079	0.7
88.04043	42.0
89.02420	0.9
96.96023	2.5
101.02438	0.9
103.05149	0.8
113.02431	0.6
115.00364	0.8
116.92900	0.5
119.05042	0.7
121.02944	0.8
126.04350	2.0
126.09239	1.0
128.03551	0.6
129.10344	8.3
130.08711	1.8
133.01419	0.6
133.03038	0.5
135.04483	0.8
137.02446	7.2
138.02776	4.3
139.08733	2.0
140.07170	1.3
141.10316	1.8
143.11897	0.7
149.02432	1.6
150.03218	0.5
151.08778	1.3
157.13477	5.3
160.51517	0.6
161.02466	0.9
161.04552	0.8
164.04744	1.7
168.11411	4.8
169.09837	6.2
179.07135	0.8
179.11877	1.1
181.09885	1.1
183.11343	1.8
186.12471	34.8
187.12799	0.9
198.12494	4.0
200.13957	0.8
201.12437	7.0
214.15622	7.1
216.13533	4.6
225.13582	1.2
236.12833	0.8
240.06187	0.7
243.14581	2.2
258.14630	2.8
295.21265	1.2
327.24005	1.3
371.22964	1.1
384.26074	0.8
428.25052	7.1
440.25098	2.0
458.26175	100.0
459.15262	3.2
459.26379	8.9
460.65378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.3
57.03452	1.1
58.00597	0.8
59.01379	100.0
60.01705	0.7
61.05454	0.2
61.98833	0.5
69.03467	0.8
69.35859	0.6
69.36263	1.4
71.01381	20.3
71.05016	0.2
72.99319	0.8
73.02946	6.8
81.03477	0.3
83.01379	2.3
85.02953	7.1
87.00880	0.9
89.02443	12.1
95.01382	2.5
96.95996	0.4
97.02934	0.4
98.20646	0.5
99.00884	1.5
101.02439	10.1
112.43352	0.2
113.02448	21.2
114.02769	0.3
115.04035	0.3
119.03493	4.4
119.04961	0.3
131.03487	0.7
133.01460	0.4
135.04558	0.4
143.03522	1.5
149.04582	0.6
161.04556	4.1
163.04037	0.3
178.06284	0.4
179.05608	1.9
193.08737	0.7
199.22896	0.2
211.13466	0.6
253.08716	0.3
253.18263	0.4
268.03665	0.3
374.86359	0.3
397.22290	9.5
398.22668	0.8
415.23413	5.4
415.28625	0.4
416.23672	0.3
439.13919	0.4
457.15231	0.7
458.24933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03460	0.8
58.00583	0.4
59.01379	100.0
60.01710	0.6
61.98824	2.1
69.03471	0.5
71.01380	14.7
71.55166	0.4
72.99323	0.6
73.02943	6.0
82.95464	0.3
83.01398	1.9
83.05044	0.4
85.02953	4.1
87.00884	0.8
89.02447	9.3
90.02729	0.3
95.01414	1.2
96.96026	0.9
97.02952	0.4
99.00908	0.9
101.02443	9.4
113.02448	10.2
119.03494	3.7
125.02493	0.5
131.03525	0.8
132.03075	0.3
135.04494	0.4
143.03551	1.0
145.01639	0.3
148.05315	0.4
149.04590	0.6
161.04547	3.8
179.05617	1.5
192.10571	0.3
221.11812	0.8
234.28065	0.4
253.08713	0.5
253.18115	1.0
319.42053	0.3
397.22284	2.4
415.23532	1.9
421.20682	1.6
422.21429	0.4
457.20837	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47500	0.2
55.01867	0.4
57.03449	0.6
58.00599	0.5
59.01378	100.0
60.01712	1.0
61.98832	1.7
69.03453	0.3
71.01379	16.3
71.23877	0.2
72.99307	0.8
73.02945	9.3
75.00875	0.4
83.01380	2.9
85.02943	4.6
87.00893	0.6
89.02440	8.6
95.01382	1.8
96.96021	0.6
97.02967	0.6
99.00893	0.9
99.15665	0.2
101.02441	11.1
113.02448	13.0
119.03502	3.2
131.03526	0.7
132.03008	0.3
134.03806	0.3
135.04556	0.3
143.03474	1.2
148.05354	0.6
149.04581	0.6
155.03569	0.3
159.03026	0.3
161.04556	4.4
161.05882	0.3
163.07640	0.6
179.03365	0.3
179.05605	1.3
221.11813	0.7
234.85899	0.3
253.08830	0.3
288.22025	0.2
397.22348	3.4
415.23456	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03441	0.6
58.00601	0.3
58.83689	0.2
59.01377	100.0
60.01714	0.9
60.52472	0.4
61.98825	1.8
69.03442	0.7
71.01379	14.1
71.54869	0.5
72.93623	0.3
72.99314	0.7
73.02946	8.5
83.01405	2.6
85.02949	4.2
87.00905	0.8
89.02439	6.3
95.01394	0.8
96.96036	0.5
97.02952	0.5
97.06602	0.3
99.00909	1.0
101.02435	9.4
109.40867	0.3
113.02444	7.4
117.55647	0.3
119.03514	1.8
119.05029	0.4
121.02980	0.3
125.02507	0.4
131.03554	0.5
143.03494	0.8
148.05374	0.3
149.04532	0.7
161.04544	3.9
163.07678	0.5
179.05711	0.8
219.20760	0.3
221.11983	0.7
308.51114	0.3
341.10413	1.0
371.20859	0.8
397.22537	1.2
415.23621	0.8
421.20932	1.2
457.14905	0.5
457.20657	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	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03454	1.0
58.00596	0.6
59.01379	100.0
60.01697	0.7
61.98836	3.0
62.62753	0.5
66.21693	0.5
69.03463	1.6
69.31209	2.5
69.31628	1.7
71.01382	25.3
73.02948	10.5
81.90128	0.5
83.01378	3.6
85.02954	8.1
87.00882	1.2
89.02448	11.8
95.01391	1.7
96.96035	1.3
97.02936	0.8
98.20635	1.2
99.00874	7.7
99.04536	1.2
101.02441	14.8
113.02448	12.4
115.18702	0.6
116.75186	0.5
119.03515	2.9
121.06591	1.8
125.02435	1.6
131.03505	1.9
132.03053	0.7
143.03500	2.2
148.05302	42.0
149.04593	1.0
149.05972	1.6
151.47278	0.5
159.03011	1.4
161.04561	13.4
163.07639	32.8
164.07985	0.9
179.05640	1.1
181.31343	0.5
185.00845	0.6
191.05656	1.5
203.05496	0.9
221.11919	0.6
233.06714	1.1
293.08801	1.4
325.13318	0.7
397.22290	2.4
415.23343	2.7
421.20770	1.3
457.17035	20.5
458.17673	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77125	0.8
55.15219	0.7
57.03447	1.6
58.96970	0.7
59.01377	94.1
61.27453	0.8
61.98829	100.0
69.03460	5.0
69.78227	0.8
71.01375	13.1
71.55552	0.8
72.99295	0.9
73.02950	6.3
82.95425	1.8
83.01373	2.3
83.05090	0.9
84.95087	1.2
85.02952	5.6
87.00845	2.5
89.02435	5.2
94.18844	0.8
95.95837	0.8
96.96005	4.0
97.02939	2.0
99.00869	2.3
101.02449	7.8
113.02471	4.2
119.03515	1.6
119.04977	1.1
130.08723	0.8
131.03490	1.0
135.04509	1.1
137.02422	1.2
143.03502	0.9
148.72504	0.8
153.77847	0.8
161.04576	3.9
162.95438	1.0
179.05531	1.4
185.00876	3.1
203.05507	1.1
204.48232	0.8
227.59755	0.8
243.37711	0.7
260.78625	0.8
261.11374	0.9
269.08118	2.0
283.11700	0.9
292.84833	0.9
298.10834	0.9
415.16193	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77125	0.8
55.15219	0.7
57.03447	1.6
58.96970	0.7
59.01377	94.1
61.27453	0.8
61.98829	100.0
69.03460	5.0
69.78227	0.8
71.01375	13.1
71.55552	0.8
72.99295	0.9
73.02950	6.3
82.95425	1.8
83.01373	2.3
83.05090	0.9
84.95087	1.2
85.02952	5.6
87.00845	2.5
89.02435	5.2
94.18844	0.8
95.95837	0.8
96.96005	4.0
97.02939	2.0
99.00869	2.3
101.02449	7.8
113.02471	4.2
119.03515	1.6
119.04977	1.1
130.08723	0.8
131.03490	1.0
135.04509	1.1
137.02422	1.2
143.03502	0.9
148.72504	0.8
153.77847	0.8
161.04576	3.9
162.95438	1.0
179.05531	1.4
185.00876	3.1
203.05507	1.1
204.48232	0.8
227.59755	0.8
243.37711	0.7
260.78625	0.8
261.11374	0.9
269.08118	2.0
283.11700	0.9
292.84833	0.9
298.10834	0.9
415.16193	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
57.03447	2.4
58.00578	1.4
59.01382	28.7
61.98832	3.5
65.30011	1.0
68.16533	0.9
69.03458	1.2
70.44227	3.6
71.01380	37.6
73.02943	12.8
83.01382	4.5
85.02943	13.8
87.00907	1.7
89.02451	16.8
93.03461	1.6
95.01374	2.7
96.64427	1.2
96.96014	12.6
97.02929	2.0
99.00883	4.9
101.02450	29.4
111.00862	2.5
113.01717	1.3
113.02463	16.2
115.00356	2.8
116.92845	7.3
117.03465	2.6
119.03509	1.8
119.05038	10.3
125.02445	3.0
131.03493	4.9
133.01433	3.0
133.06606	12.6
135.04521	20.8
137.02475	2.4
143.03506	1.9
145.02962	9.2
147.31105	1.0
149.04562	3.0
159.03021	2.3
161.04573	14.1
161.05939	1.9
163.04021	7.8
173.06065	1.8
177.01862	1.1
179.03510	18.3
184.05031	1.1
185.06114	1.2
187.07616	1.3
203.07112	3.1
215.07155	5.4
217.00284	1.7
217.08736	1.1
233.08238	7.2
234.99243	2.7
235.11871	2.8
247.06070	1.4
259.06119	3.1
265.06992	1.4
265.12903	16.9
268.94180	1.3
277.07034	1.2
303.44162	1.1
341.08685	9.3
374.99265	1.9
395.13306	1.8
397.17136	100.0
398.17444	5.4
439.12265	2.1
457.17169	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	457.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94784	0.7
55.01874	1.4
56.20492	0.6
57.03443	1.9
58.00601	1.6
59.01378	98.5
61.98832	9.7
63.68488	0.6
65.03963	10.3
69.03455	12.0
70.02378	2.4
71.01380	43.8
72.99311	2.2
73.02943	36.7
75.00870	1.0
81.03461	0.7
83.01383	7.1
83.05023	1.8
85.02953	9.4
87.00893	3.1
89.02441	38.4
95.01386	2.2
96.95997	3.6
97.02969	3.5
99.00879	100.0
100.01204	1.6
101.02441	27.6
111.00903	0.8
111.08160	8.4
112.38221	0.6
113.02448	18.7
115.00349	0.7
119.03490	5.2
119.04981	0.7
121.02923	0.7
125.02473	4.3
131.03513	12.7
137.01469	1.2
137.02444	16.2
141.01918	1.2
143.03485	4.3
149.04553	35.2
155.03513	3.2
161.04559	14.3
162.16559	0.6
163.03912	0.8
179.05579	1.2
185.00905	9.2
191.05603	42.7
191.76010	0.6
192.05856	1.4
202.14209	0.7
203.05620	17.1
203.10634	0.7
221.11813	10.8
233.06653	5.0
235.09848	0.8
254.05862	1.1
269.08185	1.2
283.11716	2.0
298.10593	0.8
340.87747	0.7
378.38727	0.6
415.16049	9.3
416.16171	0.8
457.15894	20.1
458.16931	1.1
459.55487	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1713
Annotation	Foliachinenoside B2
Peak:m/z	Relative Intensity
55.01872	2.0
57.03441	1.5
58.00615	0.7
59.01378	62.4
59.35037	0.4
60.01692	0.5
61.98820	3.0
69.03455	5.1
69.51709	2.6
71.01377	33.6
72.99307	1.2
73.02944	12.6
75.00890	0.5
81.76866	0.4
83.01387	3.5
85.02946	10.5
87.00884	0.6
89.02444	14.7
95.01392	2.5
96.96031	2.3
97.02968	2.3
99.00877	15.9
101.02442	20.1
106.45772	0.4
113.02448	16.3
115.00333	0.8
119.03501	1.5
119.05003	0.5
121.02951	0.6
121.06580	2.9
122.00947	0.5
122.03686	0.7
125.02464	1.1
129.01910	0.5
130.08725	1.6
131.03552	2.4
131.04428	0.6
135.04509	0.4
143.03494	2.7
147.04523	1.4
148.05298	100.0
148.58409	0.4
149.04611	0.9
149.05937	4.4
149.40074	0.5
152.99554	0.5
155.10782	1.4
157.13441	0.6
159.03021	2.9
161.04549	29.8
163.07637	81.6
164.07947	2.6
185.00903	3.4
191.05640	2.8
197.11844	0.5
199.09723	1.1
201.62459	0.5
203.05583	0.9
205.03593	0.8
217.80544	0.4
221.11833	1.0
244.94016	0.5
257.03052	0.9
270.21814	0.7
293.08887	1.7
303.45041	0.5
325.12753	2.3
373.92639	0.5
397.22208	1.8
413.24081	4.0
415.23444	0.9
457.17090	49.4
458.17416	3.8
463.55710	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
57.03445	1.1
57.99310	0.4
58.00595	2.9
58.02995	0.5
59.01377	100.0
60.01703	0.7
61.98830	3.0
68.98009	0.5
69.03452	7.8
69.40607	3.6
71.01379	69.0
72.01731	0.6
72.99320	2.9
73.02946	11.6
75.00869	3.3
79.01901	1.1
81.03459	4.0
83.01384	4.5
85.02950	8.9
87.00883	2.3
89.02442	98.4
90.02778	1.3
95.01392	2.2
96.96017	0.9
97.02943	10.8
98.19909	0.9
99.00882	15.5
99.04526	1.5
101.02437	18.3
107.01385	0.8
109.02899	0.6
111.00883	2.6
113.02453	8.3
115.04012	7.6
119.03531	3.3
121.02914	0.7
123.00854	0.8
125.02444	45.7
126.02760	0.8
127.03951	1.8
131.03496	10.6
143.03484	3.3
147.04459	0.7
148.05296	53.4
148.97577	0.5
149.04553	12.0
149.05626	0.9
153.41737	0.5
161.04553	2.5
163.03915	0.6
163.06303	0.9
163.07639	16.2
173.04503	1.4
175.06190	0.6
191.05595	8.3
215.05583	1.0
221.11766	0.7
233.06647	37.2
234.06905	1.2
293.08762	32.6
294.09024	1.0
378.88052	0.5
415.23163	0.8
444.96866	0.5
457.20245	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	457.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39475	0.8
55.01886	1.7
57.03155	0.8
57.03450	1.5
57.84759	0.8
58.00582	1.7
59.01381	46.6
61.98829	2.5
69.03455	1.2
70.81805	2.0
71.01382	35.1
71.01781	1.8
72.99319	3.4
73.02946	2.2
78.95908	1.2
79.26092	0.8
79.95743	0.9
80.96518	1.8
83.01405	2.1
85.02944	6.0
87.00837	1.7
87.12507	0.9
89.02449	25.7
95.01395	2.3
95.05074	1.0
96.96025	7.6
101.02438	19.2
107.05014	0.9
109.03002	2.3
111.04547	1.8
113.02450	9.3
115.00345	6.2
119.03516	11.4
119.05012	6.4
121.06606	2.3
123.08178	4.5
128.83156	0.8
129.07080	1.0
129.17914	0.9
129.57416	1.0
131.03477	0.9
133.01457	10.1
134.03783	1.1
135.04526	57.0
136.04889	1.1
143.03470	1.4
149.04590	1.4
149.06107	0.9
161.02505	1.4
161.04559	1.2
163.04045	4.3
171.11777	3.3
178.02704	0.9
179.03497	60.6
179.05457	2.2
180.03810	1.5
189.12842	8.9
215.10762	2.1
233.08366	0.9
233.11852	1.7
241.08847	1.1
277.10864	7.3
339.36487	1.2
341.08759	36.6
342.09161	2.1
397.17044	2.0
412.89944	1.0
413.18210	1.7
429.07288	0.9
457.17242	100.0
458.17648	8.9
471.39554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70445	0.3
59.01377	3.8
61.98820	2.6
66.78510	0.3
69.03458	0.6
71.01394	1.3
71.55391	0.4
73.02930	0.4
79.95731	6.4
80.96530	0.8
85.02945	0.4
89.02430	0.7
95.95233	8.8
96.96009	100.0
97.02927	0.3
98.95594	0.8
99.00839	0.5
101.02425	0.6
109.02954	1.1
109.88918	0.3
110.97585	4.6
112.93081	0.3
113.02376	0.3
115.00352	0.5
115.03973	0.3
116.92876	0.3
117.03427	0.3
122.97504	0.3
130.08731	0.3
133.01418	0.4
133.03017	0.3
135.04497	1.1
136.01689	0.3
137.02437	12.4
138.02806	0.6
138.97032	0.8
141.95776	0.7
145.24908	0.3
146.06270	0.3
147.52328	0.3
149.02429	1.2
150.03171	0.4
151.03964	0.9
151.22403	0.3
161.02422	0.3
161.04532	0.4
163.03981	0.4
165.05489	0.5
179.03545	1.4
179.07176	0.8
185.00902	0.3
198.83629	0.3
199.99947	0.3
222.08253	0.3
231.03271	2.1
237.48946	0.3
245.01178	2.3
246.01903	0.4
259.02795	3.9
260.03574	14.2
261.04077	0.8
273.04364	2.4
287.05783	0.4
314.11398	0.4
329.13824	1.4
341.06778	0.4
367.13721	0.4
457.11700	66.3
458.12076	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	457.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98558	0.4
58.00589	0.8
59.01377	15.3
60.99296	1.5
61.98828	3.2
69.03426	0.5
69.67200	3.0
71.01377	16.6
72.99294	1.1
73.02934	0.8
75.00861	0.6
79.95718	0.8
83.01366	1.1
85.02945	2.4
87.00873	1.1
88.98802	9.4
89.02440	12.0
96.96014	5.7
98.56581	0.5
98.95606	0.5
99.00883	0.8
99.04518	0.7
101.02443	6.5
107.05003	0.9
109.02957	0.9
113.02445	3.2
113.40430	0.5
115.00365	6.7
116.33587	0.6
119.03522	3.5
119.04977	2.3
121.06595	1.1
123.08189	1.1
131.03423	0.5
133.01427	13.0
133.06586	0.8
134.03734	2.4
135.04518	84.3
136.04874	2.0
161.02489	1.1
161.04544	1.2
161.05951	0.6
163.04027	1.3
171.11801	1.2
179.03487	100.0
180.03777	3.3
185.06189	0.5
189.12805	2.5
199.09262	0.5
215.10767	0.8
235.11748	0.6
241.00119	0.8
251.09314	0.7
277.10852	2.2
293.12531	0.7
295.08252	0.7
341.08749	56.9
342.09076	3.9
397.17184	1.2
421.17657	0.5
457.17209	30.8
458.17786	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	457.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
59.01106	0.8
59.01375	8.7
61.98825	5.1
63.46628	0.6
64.98722	0.6
65.92144	0.5
66.58427	0.5
67.96988	0.6
69.72054	3.5
71.01377	17.2
72.99296	0.5
73.02947	4.1
75.00879	0.6
83.01392	1.3
85.02944	4.6
87.00857	0.8
89.02444	4.4
95.01381	0.7
96.96008	17.5
98.19931	1.1
99.00885	2.3
101.02442	9.8
113.02457	4.0
113.14209	0.6
115.00397	4.5
115.87384	0.6
116.92892	1.4
119.03478	0.6
119.05025	3.5
125.02416	0.8
131.03490	1.3
133.01418	2.4
133.06584	1.8
134.03705	1.9
135.04520	69.4
136.04881	1.7
137.02446	1.0
143.03558	1.0
145.02983	1.2
149.04504	0.8
152.58035	0.6
159.02969	1.5
159.04436	0.6
161.04552	5.7
161.05963	1.2
163.04016	1.8
177.05582	0.7
179.03485	100.0
180.03833	3.8
215.07082	0.9
217.00323	2.4
233.06281	0.7
233.08226	1.8
234.99240	0.9
235.05948	0.6
241.00089	0.5
247.77109	0.5
251.09030	0.9
253.26408	0.6
265.12946	5.3
295.08112	1.2
341.08710	14.6
342.09171	0.8
351.12836	0.6
397.17093	30.3
398.17377	1.7
457.08401	1.2
457.16983	2.3
472.37848	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77198	0.3
59.01374	2.4
61.98829	100.0
67.10403	0.3
69.03424	0.3
71.01382	0.8
73.02956	0.4
75.97735	0.3
78.95913	0.3
79.95753	0.4
85.02956	0.5
89.02422	0.6
96.96014	2.2
101.02400	0.4
108.36045	0.3
121.87051	0.3
122.22722	0.3
130.08731	0.3
131.92601	0.3
133.01422	0.3
137.02438	5.3
161.02405	0.6
163.03992	0.4
177.73448	0.3
179.03580	0.6
179.07132	0.6
203.02292	0.3
206.55598	0.3
229.73294	0.3
350.15033	0.3
396.18433	0.5
438.15408	0.7
456.10596	0.5
456.18976	0.4
457.10983	0.5
457.17184	0.4
483.37085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
59.32341	0.2
61.98829	100.0
69.91402	0.6
71.01408	0.2
89.02468	0.1
96.96033	0.5
101.02454	0.3
108.71080	0.1
115.92252	0.1
122.09732	0.2
122.63717	0.2
130.01717	0.2
131.50992	0.1
137.02464	0.4
138.44759	0.1
254.78401	0.1
307.41910	0.1
387.27234	0.1
395.19516	0.1
396.19669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
63.03788	0.2
63.14758	0.2
65.00505	0.2
70.29797	0.5
110.83275	0.2
153.86932	0.2
275.22086	0.2
455.35312	100.0
456.35648	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	455.3528
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
57.37769	0.2
59.91172	0.2
61.65052	0.2
69.33231	1.6
71.65398	0.2
114.96214	0.2
186.94490	0.2
248.42062	0.2
407.33066	1.3
455.35278	100.0
456.35611	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	455.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89771	0.9
55.01867	2.8
57.03437	3.8
59.01381	53.7
61.98837	9.5
66.14420	1.2
69.03436	2.2
69.79437	4.2
71.01380	32.9
72.99312	1.9
73.02940	11.2
75.00851	1.2
78.95901	2.6
83.01407	5.8
84.56277	0.9
85.02944	12.7
87.00877	2.2
89.02444	16.6
95.01395	1.0
96.95999	4.3
97.02937	1.7
97.32687	1.0
99.00911	4.4
101.02449	30.6
111.00883	2.8
113.01797	1.2
113.02456	10.6
116.92847	1.4
118.85186	0.9
125.02412	2.7
131.03502	9.7
135.04498	1.4
141.01732	3.2
143.03474	2.1
149.04535	2.8
149.05786	1.0
152.99567	3.9
159.02992	1.4
159.04802	1.0
160.95630	2.5
161.04573	6.6
165.00826	1.0
184.25456	0.9
209.11806	7.8
227.12996	1.0
233.06520	1.5
263.14990	27.9
395.19205	100.0
396.19519	6.5
455.06442	2.8
455.16422	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	455.2653
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
57.03454	0.9
58.00589	1.6
59.01381	33.8
61.98848	1.9
69.72734	4.5
70.16197	0.7
71.01003	1.7
71.01382	24.1
72.99294	1.7
73.02936	2.1
73.13522	0.7
74.73799	0.8
81.87605	0.7
83.01392	1.9
85.02934	5.8
87.00895	1.5
89.02450	20.0
93.50854	0.8
95.01385	2.4
96.96017	1.8
99.00908	0.7
101.02440	14.2
112.06358	0.7
113.02453	7.3
119.03500	7.9
130.71017	0.7
171.10237	1.1
179.05717	1.2
179.14500	0.8
206.38083	0.8
211.13383	2.6
227.12819	0.9
248.61949	0.7
270.78397	0.9
275.20071	6.0
277.21631	1.3
278.93781	0.9
293.21231	19.7
294.21567	1.5
309.20746	0.8
371.64224	1.0
418.50766	0.9
455.26477	100.0
456.26651	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	455.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.6
57.21323	1.1
59.01378	100.0
61.98823	5.5
69.03453	27.0
70.11245	1.6
71.01376	35.3
71.55467	1.3
72.99282	1.5
73.02940	50.0
83.01389	15.5
85.02960	6.4
89.02463	10.7
91.06412	1.5
95.01386	2.0
96.96004	4.8
97.02946	5.3
99.00862	7.5
101.02444	50.0
113.02465	12.5
119.03498	5.8
131.03491	5.2
135.04529	5.3
141.01970	2.8
143.03502	2.5
149.04526	5.8
153.59930	1.3
161.04533	14.7
179.03494	3.9
185.00914	19.8
203.05545	2.2
209.42287	1.6
215.01323	1.2
221.06589	2.6
295.05914	2.2
335.31943	1.3
396.64810	1.3
413.21735	1.5
455.18747	2.8
455.35324	1.8
461.77963	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3375
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
50.82026	0.3
64.48477	0.3
70.55269	0.8
81.70692	0.3
132.38652	0.3
169.37329	0.3
183.09566	0.2
233.55725	0.3
279.23279	4.9
279.26068	0.5
280.23572	0.3
407.33200	0.8
453.33728	100.0
454.34052	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	454.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
61.96246	0.4
61.98829	100.0
69.41285	2.7
71.01384	0.5
121.02947	0.9
154.23335	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33304	0.4
59.01380	4.1
61.98828	2.2
62.22668	0.4
70.39613	1.7
71.01391	3.1
73.02969	0.4
75.00867	1.6
79.95737	42.4
80.96532	0.5
89.02441	4.6
95.94601	0.9
95.95234	25.3
96.96009	100.0
97.02912	0.5
99.00870	0.9
101.02465	1.9
101.51532	0.4
108.02160	2.0
109.02928	0.6
109.76442	0.5
109.96872	0.6
110.97572	8.2
113.02386	0.4
119.05029	1.0
122.03728	1.0
123.04488	0.9
125.02440	0.7
129.01942	1.2
131.03535	0.5
131.07103	0.6
136.01662	0.8
137.02426	7.1
137.06030	0.5
141.95746	4.5
149.04556	2.1
149.99916	6.3
150.04906	0.6
151.03958	1.2
163.03992	1.8
177.05649	0.5
181.98911	1.3
187.11253	0.5
191.05449	0.4
191.07089	0.6
205.12259	0.5
217.05017	0.5
259.02805	1.0
293.10327	2.4
297.11203	0.9
327.12399	1.1
331.04999	2.8
364.26288	0.5
437.08929	2.8
440.07913	1.2
446.35071	0.5
455.10162	97.1
456.10568	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.6
60.03588	1.8
61.98829	6.9
67.97394	1.7
71.09489	4.7
78.95903	51.2
88.80128	1.5
96.96960	4.8
104.33148	1.6
124.46680	1.9
150.98080	2.6
152.99583	80.8
155.56512	1.8
160.84207	10.5
161.82535	1.6
162.83922	7.1
171.00621	14.9
212.49466	1.7
225.18593	50.7
227.03291	7.7
245.04308	61.1
306.61407	1.9
329.66962	1.6
378.16891	1.9
397.23999	1.6
453.22568	100.0
453.33118	17.3
454.03714	3.5
454.23129	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.337
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
59.01370	0.7
61.98805	0.7
70.42284	0.5
71.30060	0.5
71.55713	0.5
82.95393	0.5
85.80599	0.5
88.00610	0.5
96.38231	0.5
102.47751	0.5
111.98619	0.4
130.67744	0.6
165.14786	0.4
206.10832	0.5
206.89085	0.5
224.67853	0.5
244.51315	0.6
405.31662	0.6
410.53232	0.6
453.33737	100.0
454.28049	0.9
454.34076	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	453.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98829	8.1
69.03451	5.6
69.16819	25.5
69.17239	12.2
71.01371	12.5
73.02937	6.4
79.05856	3.0
85.02915	5.8
87.04527	32.2
92.69098	3.3
93.00094	3.5
101.02429	4.0
103.04006	8.4
107.79745	3.4
115.58579	3.2
165.43814	3.5
185.00894	3.8
249.11081	4.4
294.20767	3.9
453.22476	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	3.4
59.01379	100.0
61.98820	9.9
69.03453	8.5
71.01377	19.6
72.38537	2.5
73.02943	8.9
75.20260	2.2
85.02960	7.0
87.04510	26.7
89.02437	4.4
96.96013	2.6
97.02940	3.5
101.02440	10.0
101.43787	2.1
102.08858	2.8
103.04031	8.1
113.02446	4.6
121.02983	2.9
134.03778	3.0
135.04529	4.7
137.02455	2.5
155.93207	2.2
161.04625	3.8
185.00801	5.1
187.11249	3.0
205.12286	12.6
240.79587	2.4
249.11105	4.6
320.74426	2.1
453.22672	52.7
454.22751	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	453.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.3
70.23338	1.1
70.23698	0.4
71.01391	0.4
94.05714	0.4
95.15179	0.4
108.90215	4.1
108.93745	1.3
110.89917	100.0
110.93439	1.6
110.97572	0.9
116.48045	0.4
128.90065	1.3
170.91130	1.7
182.91127	0.5
192.95898	0.5
194.95503	0.5
234.96901	0.4
264.41699	0.4
377.08252	0.4
415.03012	0.4
415.14450	1.9
453.11758	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	453.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95641	0.8
55.01867	2.1
57.03417	1.3
59.01072	0.8
59.01375	16.8
60.52337	0.7
60.78537	0.7
61.98822	1.4
71.01372	26.5
73.02942	14.3
74.14166	0.7
75.00880	1.1
76.48713	0.8
81.57998	0.9
83.01374	5.5
85.02946	12.9
87.00887	1.1
89.02435	5.7
96.95983	1.1
97.02937	1.2
99.00846	4.8
101.02432	27.9
101.47926	0.9
111.00890	0.8
113.02443	11.7
115.03961	1.0
119.03443	1.2
124.72383	0.9
125.02427	0.9
131.03490	1.2
143.03386	1.9
149.04497	0.8
159.02946	1.9
161.04543	12.4
173.91623	0.9
256.91458	0.8
261.13397	26.8
262.13599	0.8
371.05542	0.9
372.63852	0.8
393.17609	100.0
394.18024	6.9
427.29218	0.8
453.17914	2.4
453.23334	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	452.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11684	0.3
58.04116	0.3
61.98811	0.9
68.32036	0.3
78.95902	100.0
96.96031	0.4
96.96957	8.0
98.20713	0.9
140.01160	0.5
141.45995	0.3
152.99583	17.3
171.00632	21.9
172.00964	0.4
190.49771	0.3
214.04936	0.4
239.19145	0.3
324.25281	0.3
378.24075	2.3
452.27789	62.8
453.28070	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	452.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55627	0.3
59.01387	0.3
61.98826	0.8
70.39979	0.9
71.26316	0.3
71.37500	0.3
78.95904	41.6
96.72095	0.3
96.96966	1.5
122.00150	0.6
140.01186	5.6
152.99586	6.1
171.00613	4.5
196.03780	8.8
214.04832	1.8
255.23286	100.0
256.23621	5.3
256.25983	0.2
304.94489	0.3
313.17770	0.4
354.27829	0.3
378.24136	0.5
392.18341	1.2
452.27789	46.1
453.28140	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	452.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.4
61.98835	6.6
62.05656	1.0
66.03495	1.3
67.01881	5.3
71.01375	1.2
71.55536	1.3
96.96032	2.0
101.02451	1.3
108.02176	1.4
108.04554	3.6
118.06612	1.6
120.04579	2.4
122.02434	1.7
123.03294	2.1
124.04025	3.6
125.09742	1.8
129.05882	1.4
131.03673	1.3
136.04030	3.3
137.04756	1.9
144.08194	5.1
145.01430	3.2
147.03285	2.1
148.04024	15.5
150.05585	17.2
157.86363	1.5
160.04056	1.9
164.07166	8.5
172.04094	1.3
173.04802	11.8
174.05597	5.0
176.07162	46.1
188.07159	100.0
189.07722	5.7
190.08707	3.8
190.88155	1.1
202.05006	2.9
211.13400	1.5
212.07092	1.6
217.07370	4.8
222.05933	16.6
225.14931	1.4
324.16171	1.3
342.17279	2.8
345.19611	1.3
348.18155	7.9
356.18597	2.9
362.19614	1.5
374.19699	57.0
375.19943	4.4
408.18466	29.0
417.11505	1.3
440.30548	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26939	0.1
58.02964	0.2
59.01381	1.6
59.28955	0.1
61.98825	0.3
67.80792	0.1
69.03463	0.1
69.52798	0.5
70.02965	0.1
71.01379	1.2
73.02946	0.4
80.05056	0.4
81.03456	7.5
82.03783	0.2
83.05026	23.4
84.04568	0.1
84.05344	0.5
85.02943	0.5
87.00858	0.1
88.98795	0.3
89.02443	0.8
97.02912	0.2
99.00877	0.8
100.07684	0.2
101.02425	0.6
107.06158	0.6
108.04555	0.9
113.02467	0.5
115.00364	0.6
119.03460	0.1
125.07204	2.8
126.05615	0.5
126.93383	0.1
131.03520	0.1
133.01431	1.0
135.04541	0.1
143.08261	1.3
149.04561	0.3
149.65607	0.1
150.31676	0.1
157.13498	0.1
159.04570	0.1
161.04539	0.3
166.12448	0.1
171.10355	0.1
175.07501	0.1
181.17162	0.2
183.14964	0.1
187.07626	0.3
191.05539	0.3
207.15010	3.1
208.13408	0.1
208.15347	0.2
222.16214	0.1
224.17673	4.2
225.16071	12.7
226.16380	0.6
229.12332	0.4
231.10271	0.2
242.18738	1.4
250.15639	0.4
268.16415	0.2
273.11404	0.3
275.09305	0.2
290.22369	0.3
291.12326	0.3
291.20749	0.1
306.21906	0.2
307.23938	0.3
309.21750	0.4
316.76108	0.1
317.10016	0.1
324.22711	0.1
324.26480	2.0
325.26950	0.1
333.22949	4.1
334.23212	0.3
335.11414	0.7
339.27512	0.3
341.29172	0.2
349.26212	0.1
351.24136	1.0
367.27002	1.2
373.14713	0.2
385.28241	0.3
391.16028	0.1
406.30109	0.1
415.16306	0.5
433.31818	6.2
434.32095	0.7
451.32874	100.0
452.33182	10.1
452.39877	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	450.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76324	0.3
59.01385	1.5
61.98829	100.0
70.99515	0.7
78.90617	0.3
84.28050	0.3
209.67815	0.3
272.98267	0.3
288.06171	0.3
312.65945	0.3
378.44604	0.4
390.21164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.4
60.01704	0.6
61.98830	100.0
70.55015	0.7
70.55354	0.4
71.01393	1.4
71.40197	0.3
78.08917	0.4
82.44047	0.4
82.68505	0.3
85.02937	0.6
89.02454	1.2
99.00904	1.9
101.02483	0.6
113.02455	1.0
119.03527	0.4
122.02474	0.5
149.04559	0.8
161.04596	0.7
190.61697	0.3
191.05626	1.0
233.06705	0.4
353.62219	0.4
385.88855	0.4
415.16187	3.6
458.73883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.7
61.98813	0.2
71.01373	0.4
71.39874	0.2
78.91871	0.1
82.14105	0.1
89.02444	0.7
98.20528	0.1
101.02429	0.3
108.90191	100.0
108.93726	2.9
110.89887	0.4
113.02451	0.2
119.03507	0.2
123.79427	0.1
126.90357	0.9
128.89204	0.5
130.88918	1.3
130.89822	0.1
131.88980	0.2
132.88637	0.6
136.93192	0.2
144.86989	0.3
146.86674	0.2
152.93629	0.1
159.80504	0.1
162.94879	0.1
167.10300	0.1
168.91389	1.4
179.05655	0.2
180.91431	0.5
186.94777	0.1
192.95856	0.8
198.92435	0.2
204.95882	0.2
222.96898	0.1
226.80975	0.1
228.93486	0.7
234.96964	0.6
252.97964	0.3
294.98770	0.2
340.99344	0.1
341.10638	0.2
366.13696	0.1
377.08560	0.9
377.15738	0.1
415.03162	0.8
415.14548	3.8
416.14960	0.2
451.01721	0.2
451.12231	4.4
452.12531	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93360	0.5
53.51146	0.5
57.46468	0.5
59.01103	1.1
59.01377	12.7
60.99000	1.0
60.99304	15.0
61.98829	4.7
69.76851	0.6
71.01379	5.7
72.99300	0.6
73.02947	3.2
75.00870	4.9
83.01368	0.9
85.02940	2.4
88.98804	100.0
89.02439	9.3
96.95998	3.2
99.00884	12.7
101.02426	4.6
109.88630	0.6
113.02438	5.1
115.00380	0.9
119.03545	1.0
119.05001	1.3
122.06444	0.7
131.03506	2.8
133.01421	1.2
141.39775	0.6
144.49347	0.6
149.04535	7.8
161.04559	2.5
179.05847	0.6
191.05597	4.9
196.81364	0.6
199.09679	1.5
199.13435	0.8
209.11760	1.1
233.06627	1.8
244.10852	0.6
288.99448	1.8
291.12201	1.3
293.08566	1.0
373.15079	1.5
380.17194	0.7
380.22183	0.6
391.15973	0.8
413.14636	0.8
447.19565	0.7
451.09338	2.7
451.21027	3.7
451.31607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25570	0.6
59.01380	17.9
61.26198	0.8
61.26508	0.7
61.98829	100.0
69.52537	4.6
69.52940	1.4
71.01382	4.2
75.52481	0.7
89.01763	0.7
89.02451	4.7
98.20655	1.7
101.02470	1.8
111.14012	0.6
113.02450	2.1
119.03510	1.0
121.00922	0.7
163.11299	1.4
207.10287	2.8
286.46512	0.8
318.00308	0.8
382.32394	0.8
387.16577	54.4
388.16907	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	450.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88054	0.3
59.01381	9.5
60.01717	0.6
61.98829	100.0
63.99257	0.4
71.01383	2.4
73.02950	0.5
85.02966	0.5
89.02438	2.1
96.96024	1.2
97.02989	0.4
97.06629	0.5
99.00878	0.8
101.02446	1.7
104.80750	0.3
107.03835	0.3
113.02461	1.3
113.71419	0.3
119.03514	0.8
122.02418	0.4
137.02403	0.4
149.04588	0.3
159.06674	0.6
161.04573	0.5
162.16072	0.3
163.11345	0.4
179.05710	0.3
191.05623	0.4
196.35898	0.3
228.13232	0.4
229.12222	0.3
331.67807	0.3
387.16617	6.2
387.21320	0.5
388.16846	0.6
412.18994	0.5
450.08478	0.8
450.20828	1.1
451.22089	0.8
465.49979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47594	0.3
59.01380	11.8
60.01710	1.2
61.01802	1.0
61.98829	100.0
68.04539	0.3
70.67362	0.3
71.01382	1.2
72.74622	0.3
73.02903	0.3
83.01402	0.3
83.06059	0.3
89.02460	0.6
96.96019	0.3
98.19855	0.7
99.00903	0.3
101.02464	1.0
109.30031	0.3
113.02473	0.6
119.92069	0.3
161.04605	0.5
387.16501	3.2
399.09189	0.3
450.20352	0.5
451.22083	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96243	0.4
59.01376	4.4
60.01715	0.5
61.01789	0.8
61.82917	0.4
61.98827	100.0
69.62666	1.0
69.63078	1.8
71.01389	0.6
89.02496	0.5
89.37152	0.5
93.23708	0.4
93.49703	0.4
96.96021	1.2
188.21603	0.5
276.48535	0.5
353.63431	0.5
371.21027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2389
Annotation	Vanoxerine
Peak:m/z	Relative Intensity
55.01884	3.0
55.97097	0.5
57.03462	2.6
58.00590	1.2
59.01380	35.4
61.98825	1.1
67.01890	0.8
69.03449	2.0
69.38079	4.2
71.01381	44.8
72.99311	2.7
73.02947	23.9
75.00864	0.9
78.95889	0.9
83.01388	10.6
84.02184	0.6
85.02947	24.3
86.00098	1.9
87.00873	3.8
87.33681	0.5
89.02448	8.7
93.03459	4.3
95.01374	2.7
96.95990	2.0
97.02946	2.8
98.95585	2.4
99.00884	11.4
101.02442	43.7
111.00869	2.1
111.18111	0.5
112.01662	0.9
113.02445	16.3
115.00375	1.1
119.03475	0.8
125.02441	2.5
129.01912	1.2
131.03464	1.5
133.02957	0.9
134.03772	2.8
135.04526	8.1
143.03487	2.0
149.04482	0.7
151.04004	1.8
152.99564	0.7
156.89380	0.5
159.03049	3.1
161.02487	0.7
161.04546	14.0
162.03201	1.0
173.02554	0.5
173.04550	1.9
173.05966	0.7
179.03485	1.8
181.46559	0.6
191.05650	3.4
193.69922	0.5
225.15091	0.7
251.16664	0.9
262.87015	0.6
275.09250	2.1
285.03772	0.6
307.08194	0.5
308.09167	2.3
317.19681	58.8
318.20038	4.1
333.05203	1.1
333.13733	1.0
352.07959	1.4
359.20438	0.6
361.18698	1.2
449.23886	100.0
450.24265	8.4
450.30035	0.8
468.25427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94027	0.4
52.19123	0.4
54.54595	0.4
55.01861	0.5
59.02816	0.4
60.94300	0.4
61.98818	1.2
66.07928	0.5
67.05257	0.5
70.77707	1.1
76.26055	0.5
78.95902	14.2
93.03458	0.4
96.96020	0.6
99.00880	9.3
104.97457	0.9
110.98528	10.7
137.00017	0.5
144.67517	0.5
159.35789	0.5
167.01146	10.7
173.04341	0.4
185.02238	3.7
191.05592	0.6
216.09702	0.6
252.94086	0.5
255.23436	0.8
267.07895	0.5
271.79745	0.4
281.24847	100.0
282.25198	7.1
362.13486	0.5
366.12787	0.4
408.46066	0.7
449.26721	24.9
450.26968	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	449.2751
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
50.22916	0.3
51.14532	0.4
55.01869	0.8
57.03427	0.6
58.00591	0.4
59.01378	14.2
61.98820	1.2
63.96232	0.7
69.03484	0.3
71.01382	8.0
72.99303	1.0
73.02951	2.9
76.53043	0.3
79.95729	2.7
81.83530	0.3
83.01382	2.5
85.02940	3.8
86.00110	0.6
87.00878	0.8
89.02426	1.2
93.03450	0.8
95.01394	0.6
96.96014	13.1
98.20648	0.8
98.95582	0.8
99.00891	1.9
100.98859	0.4
101.02451	6.9
111.00858	0.7
113.02442	2.4
115.00336	0.6
119.03474	0.7
120.99640	0.6
135.04477	0.6
161.04515	0.4
183.13892	4.6
189.37987	0.4
195.13916	4.7
211.13377	0.6
213.14951	27.0
214.15350	0.6
223.13264	0.4
229.14131	0.4
235.13269	0.4
239.20229	0.7
241.21678	2.0
267.12256	0.4
269.21176	0.8
287.22284	4.7
431.26370	1.6
449.27582	100.0
450.27951	8.5
472.34390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85352	0.3
53.99593	0.3
59.01369	1.8
60.48497	0.3
61.98828	4.8
61.99129	0.6
62.96398	0.3
67.31984	0.2
69.31544	0.5
69.31953	2.2
78.95900	52.9
93.03465	0.3
96.95998	0.9
96.96954	5.8
97.02955	0.3
98.95563	0.3
116.92836	1.7
116.97253	0.9
117.01933	0.4
123.22012	0.2
150.97998	1.8
152.99574	100.0
153.99940	1.0
171.00645	4.5
173.04634	0.4
193.96225	0.2
263.12766	0.5
279.27829	0.3
295.22717	1.0
367.16623	0.6
374.92245	0.3
431.24335	0.6
449.23029	17.7
450.23389	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	449.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.1
61.98835	3.6
69.79648	2.2
72.13023	0.4
75.58635	0.4
78.95903	72.5
90.45725	0.3
96.96011	2.3
96.96958	6.7
97.69589	0.5
101.32094	0.4
116.92873	2.2
116.97295	0.7
117.01976	0.6
119.53658	0.3
150.98012	1.5
152.99582	100.0
153.99945	0.8
170.99323	0.6
171.00537	2.4
173.04529	0.5
179.77472	0.4
194.92818	0.6
195.13849	0.5
277.21732	0.5
295.22760	1.1
367.16330	0.6
449.23035	29.4
450.23273	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	449.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87259	0.4
51.26884	0.4
51.98591	0.4
52.83155	0.4
55.01878	0.7
57.03454	1.3
58.17610	0.4
59.01379	10.1
61.98829	16.9
64.95763	0.4
69.03468	1.1
69.44186	2.4
71.01383	6.8
71.01736	0.7
73.02943	1.4
75.00881	0.4
75.96937	0.4
83.01395	0.6
83.29587	0.4
85.02956	2.5
87.00896	1.6
89.02444	3.6
93.03458	4.7
95.01399	0.6
96.96025	0.8
97.06598	1.8
99.00887	0.6
100.59631	0.4
101.02436	5.8
113.02425	2.9
119.03513	1.7
122.71824	0.4
134.03778	1.3
135.04541	0.8
151.11270	17.4
152.11592	0.8
161.04591	1.7
169.12335	100.0
170.12671	4.1
173.04555	5.2
173.21672	0.4
179.05573	0.8
181.12357	1.8
191.05620	2.0
195.10258	1.6
213.11319	23.7
214.11694	1.2
225.11317	4.4
230.02213	0.6
231.10184	1.1
236.88158	0.4
253.09261	5.1
275.09241	2.4
327.08716	1.0
333.13351	0.6
387.16614	0.9
389.21066	0.5
449.14993	4.2
449.20187	85.2
450.20499	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	449.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
59.01375	11.9
61.98827	2.1
62.79613	0.4
64.95754	0.5
67.01883	1.1
69.03434	0.4
70.37556	0.8
70.37889	0.8
70.48700	0.4
71.01382	5.3
71.17365	0.4
73.02950	1.3
78.44823	0.4
79.21599	0.4
80.87473	0.5
83.01383	0.4
83.05013	0.6
85.02950	1.4
87.00881	1.1
89.02456	2.9
93.03463	5.8
96.96021	0.4
97.06577	2.4
101.02432	4.6
111.04501	0.9
113.02469	2.2
116.92822	0.6
119.03533	0.8
133.02969	0.9
134.03741	1.1
134.18784	0.5
143.03459	0.7
149.09615	0.5
151.11275	14.1
161.04599	1.2
162.03285	0.4
169.12329	100.0
170.12685	4.2
173.04518	5.4
173.05885	0.7
191.05620	3.0
195.10263	2.5
213.11304	19.4
214.11668	1.1
231.10155	0.8
237.11475	0.5
253.09283	3.6
275.09351	1.6
287.14966	0.5
449.20215	95.0
450.14905	0.8
450.20557	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1499
Annotation	Suvorexant
Peak:m/z	Relative Intensity
51.85107	0.4
59.01374	3.7
60.56662	0.4
61.98814	1.8
62.96409	22.0
71.01376	0.6
72.61610	0.4
76.75118	0.4
78.95904	51.9
80.97468	28.6
96.96014	1.9
135.04478	0.6
149.00089	13.6
152.99644	0.5
173.04536	0.4
179.01112	1.1
191.05597	0.6
196.17873	0.4
205.15952	7.4
206.16228	0.6
231.80695	0.4
242.98289	4.7
253.46693	0.4
285.12582	1.7
355.12381	0.9
355.16788	17.4
356.17108	1.0
385.17844	21.5
386.18124	0.9
399.90363	0.4
428.88013	0.5
449.14960	100.0
450.15250	8.0
455.13809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1501
Annotation	Suvorexant
Peak:m/z	Relative Intensity
57.01639	0.5
59.01381	4.3
61.98832	12.3
62.96412	21.7
68.38664	0.5
70.93315	1.1
77.20742	0.5
78.95908	51.9
80.96288	0.7
80.97474	26.0
94.24507	0.5
96.96008	1.9
96.96956	0.7
116.92894	0.7
148.98895	0.7
149.00090	11.5
149.01227	0.9
149.48596	0.5
152.99579	2.3
155.00076	0.8
174.89716	0.5
177.72110	0.6
179.01201	1.6
205.15973	6.8
242.98277	4.9
243.87148	0.6
249.48936	0.6
250.26707	0.6
265.18658	0.6
276.60724	0.5
281.21127	0.8
285.12677	2.2
295.86185	0.6
352.07819	0.5
355.16794	15.1
356.17032	0.8
373.14264	0.6
385.17841	20.6
386.18091	1.1
449.14932	100.0
450.15271	6.4
472.09344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92997	0.6
59.01377	100.0
60.01723	0.7
61.98833	0.8
69.39195	0.5
71.01375	1.2
71.17558	1.0
74.00695	0.6
79.95720	0.6
80.28752	0.5
81.45889	0.6
86.14783	0.5
88.98833	1.6
89.02460	1.6
96.96011	36.1
101.02441	0.9
107.54308	0.6
108.02186	2.0
109.02979	0.8
125.05225	0.6
133.01428	0.7
137.02473	1.8
152.01160	2.2
153.01900	0.7
167.03494	1.2
179.03485	11.0
194.05830	12.3
195.06198	0.7
209.08186	11.5
210.08592	0.8
214.94290	0.8
226.94368	1.1
227.09230	14.2
228.09387	0.7
274.07266	1.0
286.98627	1.1
306.14307	0.6
358.98618	0.6
388.99661	1.2
449.03705	1.9
449.11569	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	448.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.5
61.98829	100.0
62.96414	6.4
70.50635	1.2
71.01378	1.3
73.48268	0.5
78.95906	55.9
79.15054	0.6
80.97466	7.3
88.19014	0.6
94.96154	0.6
96.96015	2.1
96.96964	3.5
99.24773	0.5
116.92805	0.8
149.00076	13.7
150.00421	2.5
152.99583	21.3
153.99901	3.3
158.92528	0.9
160.84213	1.0
179.01155	0.8
205.15979	3.0
212.13684	0.7
242.98187	1.0
252.20148	0.8
285.03760	1.2
286.04446	1.1
355.16599	4.0
385.17810	5.7
418.12369	0.9
432.10526	1.8
448.13791	62.9
448.21729	6.5
448.27423	1.8
449.14929	30.5
449.21350	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	448.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43351	0.4
59.01371	4.1
61.01803	0.7
61.98830	100.0
70.14082	0.5
70.86562	1.1
71.01403	0.5
78.95902	8.8
90.64960	0.5
96.96010	2.5
96.96992	1.3
100.24960	0.5
104.34226	0.4
136.06267	0.4
152.99573	16.0
167.45728	0.5
171.00679	0.7
197.92068	0.5
212.13768	0.8
285.03653	0.8
323.61862	0.5
448.09698	1.3
449.23224	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	449.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.4
61.98830	100.0
66.13372	0.4
71.55199	0.6
73.81297	0.4
78.95911	1.1
93.03446	0.4
96.96015	0.5
122.57290	0.4
231.49255	0.4
270.93732	0.4
277.46341	0.4
289.03763	2.4
311.04797	0.5
337.27026	0.4
369.31186	0.4
389.16489	3.5
449.18677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77780	0.2
59.01381	6.7
60.01725	0.5
61.98830	100.0
69.22021	2.6
71.01389	1.7
73.02943	0.4
79.08439	0.3
85.02971	0.6
89.02451	1.0
93.03458	0.4
96.96066	0.4
101.02446	0.5
105.89279	0.3
113.02445	0.4
119.03525	0.4
133.02965	0.3
156.11148	0.3
161.04631	0.4
173.04500	0.3
179.05606	0.3
180.34743	0.3
191.05707	0.6
199.09821	0.3
202.87578	0.3
212.13731	0.5
227.95943	0.3
284.03403	0.4
285.03949	1.9
286.04385	3.6
302.19168	0.3
315.52005	0.3
352.30823	0.3
353.56833	0.3
389.21848	0.7
448.09412	1.4
448.22958	0.6
449.24069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.9
60.01717	1.5
61.98828	100.0
62.64692	0.3
64.23635	0.3
69.35332	1.9
69.35745	0.6
71.01393	1.5
73.02958	0.6
85.02970	0.4
89.02477	0.3
101.02435	0.6
113.02384	0.3
161.04622	0.4
194.94547	0.3
204.76178	0.3
211.50484	0.3
212.24466	0.4
256.03210	0.4
268.01620	0.3
284.03271	0.8
285.03796	2.8
286.04361	3.0
388.20255	0.5
401.79034	0.3
448.09674	3.3
448.22922	0.5
449.24222	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70681	0.3
53.67064	0.3
54.57332	0.3
56.38464	0.3
59.01377	18.4
60.01716	1.8
61.98827	100.0
69.52855	1.6
69.53265	0.7
71.01379	1.0
72.01736	0.3
81.86618	0.3
89.02409	0.7
98.19867	0.3
101.02485	0.4
117.31277	0.3
139.10646	0.3
162.04915	0.3
181.95222	0.3
210.69067	0.3
298.32962	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91292	0.3
59.01381	6.3
60.01715	0.7
61.98829	100.0
69.37663	1.3
71.01374	1.1
72.01755	0.3
79.38232	0.2
85.02966	0.2
89.02444	1.3
89.50108	0.2
91.43514	0.2
101.02467	0.7
113.02505	0.3
119.03503	0.3
153.09207	0.5
161.04524	0.6
162.04950	0.3
162.81746	0.3
179.05661	0.4
191.05609	0.4
225.14891	0.6
226.15288	1.1
285.03729	0.4
328.05396	0.5
388.20639	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78950	0.5
59.01373	5.3
61.98823	1.8
69.03455	2.3
70.25346	1.6
70.42355	0.5
85.06538	0.5
94.26226	0.5
96.96020	2.4
109.06581	1.0
167.10786	3.2
168.11171	0.5
179.10806	0.8
179.14403	3.9
195.13878	10.0
205.12306	9.9
205.14076	0.8
211.13362	0.8
223.13382	100.0
224.13696	4.7
252.16098	0.5
253.16553	0.6
275.58899	0.5
284.03143	0.9
285.04099	1.2
447.09204	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	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.6
59.01380	73.2
60.01688	1.3
61.98793	2.0
63.02392	1.9
63.56614	1.1
69.33356	11.3
71.01381	6.7
73.02939	1.8
81.05521	1.8
83.05027	3.3
85.02933	4.0
85.06599	5.5
89.02436	2.2
92.46851	1.4
97.06602	2.8
101.02431	3.5
101.06071	3.5
107.01401	2.5
113.02434	3.2
115.07642	8.6
123.08136	1.7
125.09747	2.6
133.02954	3.7
151.00389	4.7
157.11400	1.4
161.04549	5.4
164.27969	1.2
165.12854	9.2
179.05566	1.5
181.12321	7.2
183.13901	1.9
199.03851	2.4
207.13884	1.6
216.09935	1.1
227.03596	1.4
227.12877	2.8
245.13876	2.9
256.03760	4.2
284.03238	57.3
285.04031	100.0
286.04401	4.2
343.21237	17.6
361.22290	57.6
362.22855	2.2
387.20148	5.5
403.23340	60.3
404.23813	5.4
430.40039	1.4
447.09308	76.0
448.09619	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03443	0.9
58.00580	0.5
59.01379	100.0
60.01723	0.9
61.98835	4.7
63.24535	0.4
69.03484	0.5
69.42269	3.1
71.01379	11.0
72.99319	0.7
73.02955	4.1
74.02481	1.2
75.00871	0.6
81.97462	0.5
83.01394	0.9
85.02953	3.2
85.06599	4.6
87.00903	0.4
88.98840	0.6
89.02445	11.8
95.01366	0.6
96.96004	3.1
99.00856	0.6
101.02438	8.6
113.02457	5.8
119.03499	4.4
131.03517	0.7
131.07138	20.5
134.07362	0.5
135.08224	0.5
136.22798	0.5
137.09749	1.1
137.47211	0.4
143.03508	1.6
149.04588	1.1
149.09735	3.7
153.09300	1.0
161.04549	3.9
163.11342	1.2
167.10742	5.0
179.05630	4.3
180.13919	0.9
189.12907	0.8
207.13914	0.8
216.16542	0.4
225.07782	0.6
225.11540	0.8
225.15019	1.0
243.16142	0.6
256.11960	1.2
284.03238	0.7
285.04132	1.9
286.12924	5.1
387.20300	2.2
411.18744	1.2
447.09262	0.8
447.22946	0.8
448.18396	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	447.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57696	0.3
51.87911	0.3
55.01878	0.4
55.44414	0.3
55.48949	0.3
58.00593	0.4
59.01376	100.0
60.01705	0.9
61.98824	2.0
67.15517	0.3
69.88190	0.7
69.88584	0.6
71.01379	8.2
72.99308	0.5
73.02960	1.3
73.18612	0.3
78.91901	0.6
79.95761	0.6
83.01373	0.5
85.02938	2.0
87.00887	0.8
88.98801	0.4
89.02438	9.3
95.01373	0.8
96.96008	14.7
96.96960	0.7
97.06693	0.3
98.95625	0.6
99.00900	0.6
101.02441	4.3
113.02466	3.5
119.03498	3.8
125.02454	0.6
131.03549	0.8
137.09689	0.5
143.03503	0.9
149.04607	0.5
150.51077	0.3
161.04509	2.3
179.05594	3.4
191.05688	0.4
232.67845	0.4
233.06772	0.6
285.04108	0.9
286.13040	0.4
293.08792	1.7
317.16098	0.6
329.27823	0.3
363.66956	0.3
387.12695	0.4
387.20346	1.2
447.09222	0.6
447.15045	0.6
447.22748	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65730	0.7
55.01863	1.3
57.03448	1.2
58.00582	2.8
59.01377	75.8
60.23412	0.5
60.93343	0.6
61.98801	0.6
69.34216	5.3
71.01380	54.2
72.99300	3.5
73.02946	25.3
83.01388	2.6
85.02946	15.7
87.00862	2.5
89.02441	65.8
90.02762	1.0
95.01392	6.8
99.00877	100.0
100.01193	1.3
101.02439	23.1
112.01587	0.8
113.02445	41.4
115.00375	0.7
117.96517	0.7
119.03494	12.0
131.02542	1.0
131.03511	15.0
133.02954	0.7
143.03517	3.9
149.04552	51.0
150.04872	1.1
161.04549	24.2
178.02686	0.6
179.05629	3.9
181.07059	0.9
191.05602	52.9
192.05896	1.5
211.13417	3.2
233.06638	9.6
285.04004	1.0
293.08820	0.9
369.62180	0.6
398.41260	0.8
447.09167	1.4
447.22299	31.5
448.22787	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	447.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57694	0.2
55.01878	5.6
57.03194	0.3
57.03450	4.7
58.00591	3.4
59.01379	81.8
60.01717	0.6
64.70821	0.2
64.83833	0.2
67.01878	0.3
67.40444	0.2
68.18827	0.2
68.99818	0.5
69.03458	2.5
69.33095	0.7
69.33520	1.3
69.39520	0.2
71.01381	100.0
72.01701	1.3
72.99307	4.2
73.02945	23.3
74.03264	0.3
75.00874	1.4
79.01888	0.3
81.03447	1.4
82.97034	0.2
83.01386	13.0
84.02139	0.4
85.02952	32.8
86.00114	0.7
87.00871	5.9
87.01374	0.4
87.04510	0.3
89.02444	63.5
90.02774	0.7
95.01379	4.5
97.02951	4.5
99.00879	10.1
99.01527	0.5
99.04574	0.3
101.02442	58.6
102.02762	0.8
106.23772	0.2
109.02984	0.3
111.00881	5.7
113.02448	27.6
114.02798	0.6
115.00365	0.2
115.04024	1.5
119.03505	4.7
125.02440	7.7
127.04027	0.5
129.01932	1.2
131.03502	30.5
132.03828	0.4
139.03995	0.4
141.01897	0.5
143.03500	4.3
148.05321	0.3
149.04552	19.3
150.04866	0.4
159.02975	3.8
161.04550	33.2
162.04893	0.7
173.04500	0.6
175.23366	0.2
179.05626	0.5
183.13904	0.3
187.91792	0.2
191.05608	5.5
192.05972	0.4
194.73967	0.3
205.03525	0.6
211.13385	6.3
215.05548	1.3
219.13945	0.4
233.06660	4.4
237.14998	0.5
253.09204	0.8
284.03168	1.3
285.03915	1.3
293.08749	3.1
297.16986	0.7
315.18103	29.3
316.18521	2.0
359.17081	0.3
447.09842	1.5
447.22311	67.7
448.22678	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	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.5
55.06464	0.4
57.03445	2.4
58.00600	1.0
59.01380	28.0
65.43604	0.3
68.97612	0.4
69.03470	0.9
69.10584	0.4
69.33749	2.0
69.34155	1.1
70.33846	0.4
71.01379	51.1
72.01727	0.6
72.99303	1.5
73.02944	18.8
75.00871	1.6
81.03434	0.5
83.01382	7.0
84.01701	0.4
85.02946	23.7
85.70716	0.3
87.00876	2.5
89.02443	15.4
92.42456	0.4
95.01376	4.2
97.02951	1.2
99.00880	15.5
101.02438	28.4
111.00868	3.3
113.02447	19.3
119.03503	3.2
125.02448	1.0
129.01956	1.5
131.03476	2.1
143.03453	2.1
149.04538	1.7
159.02966	5.0
161.04547	25.3
162.04921	0.5
179.05698	0.4
191.05620	1.7
205.03448	0.4
211.13403	3.5
223.13409	0.6
253.09250	0.5
315.18100	17.2
316.18399	0.7
447.22308	100.0
448.22650	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	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.3
59.01379	32.5
69.03425	0.6
70.38150	0.9
70.38544	1.0
71.01376	8.2
72.99335	0.4
73.02946	4.4
77.90946	0.4
79.53404	0.4
83.01385	1.0
85.02934	3.4
87.00883	0.7
89.02441	4.9
93.11469	0.5
95.01391	0.9
97.02919	0.6
101.02432	5.5
107.01373	0.9
113.02441	3.4
113.06037	0.4
115.00296	0.6
119.03495	1.0
125.02454	1.0
129.01903	0.5
131.03500	1.6
133.03011	0.5
137.02507	0.5
137.09697	1.5
149.04517	2.8
151.00363	1.1
155.10789	1.2
161.04541	1.9
170.27127	0.6
171.10233	1.5
183.13977	0.6
191.05640	0.9
193.12509	0.6
211.13391	12.5
212.13576	0.6
223.17035	11.2
223.65460	0.5
225.14949	88.0
226.15234	4.8
242.05858	0.9
244.09766	0.8
249.14868	0.7
253.09233	1.4
256.03470	1.2
267.16037	1.5
283.02570	0.8
284.03137	5.0
285.04010	8.2
285.17059	100.0
286.17429	5.8
291.15698	0.6
315.18228	1.2
327.18008	1.9
387.20053	0.7
409.20560	2.8
447.09198	6.4
447.22290	22.3
448.22449	2.0
473.27148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29148	0.4
59.01378	100.0
60.01703	1.0
61.98829	1.1
70.69656	1.1
71.01380	5.5
73.02954	0.7
85.02947	0.8
89.02436	7.4
89.02946	0.6
93.83588	0.4
95.01387	0.4
101.02428	3.1
113.02460	2.7
119.03484	3.3
130.93544	0.3
143.03532	0.5
160.53867	0.4
161.04552	3.1
170.33655	0.4
175.62190	0.4
176.34996	0.4
179.05641	1.6
189.12877	1.7
207.13887	0.8
208.54066	0.4
351.28412	0.4
387.20245	4.7
388.20132	0.5
447.22464	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	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.7
59.01378	100.0
59.98002	1.5
61.98793	1.8
62.58221	1.7
71.01376	12.6
71.04976	2.3
71.31238	1.8
73.02934	6.4
83.01384	2.6
83.05032	1.8
85.02940	6.0
85.06584	1.7
89.02439	4.6
92.77699	1.6
101.02429	11.3
101.06014	2.2
113.02441	6.5
115.07634	5.3
118.14352	1.8
119.03477	2.4
125.09673	5.2
161.04526	10.8
165.12840	9.7
181.12318	4.7
207.13872	2.1
225.14955	3.9
227.12862	2.1
284.03259	3.0
285.03940	6.2
343.21121	13.5
361.22278	43.8
387.20160	15.0
403.23334	38.4
404.23526	3.9
447.09024	4.0
447.21848	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	447.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.8
59.01377	100.0
60.01705	1.7
70.85245	1.8
71.01379	12.5
71.05036	0.9
73.02949	3.9
83.01414	1.7
85.02525	0.7
85.02929	4.1
89.02448	5.7
95.01434	1.1
99.00875	1.1
101.02430	8.1
113.02448	6.7
119.03532	2.0
138.06818	6.0
141.77678	0.7
143.03493	1.1
153.09204	14.1
159.02960	1.7
161.04533	16.1
179.05675	2.8
204.46536	0.8
207.13933	1.0
225.14940	30.9
226.15221	1.6
302.37634	0.8
310.59641	0.9
316.82596	0.8
387.20209	23.7
388.20709	2.1
447.22589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01378	100.0
60.01736	0.9
61.98827	11.7
70.69470	1.2
70.69851	1.2
71.01381	13.0
72.99306	0.8
73.02957	4.5
75.85526	0.6
83.01402	1.5
85.02956	5.0
87.00863	0.9
89.02451	6.5
95.01437	1.0
99.00912	1.7
101.02441	9.0
101.29948	0.6
109.06841	0.6
111.31843	0.6
113.02435	6.7
113.03024	0.6
113.92351	0.6
119.03503	3.7
136.63313	0.6
143.03470	1.2
159.03049	1.0
161.04546	10.4
179.05664	2.0
189.12811	0.9
195.13870	1.2
212.19139	0.7
225.11618	0.7
225.14951	0.9
249.65662	0.6
333.57623	0.5
387.20236	14.0
387.24731	1.0
388.20557	0.8
411.19028	1.7
447.22385	1.3
457.24756	0.7
462.56506	0.6
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
55.32819	0.3
57.02221	0.3
57.03453	0.5
59.01379	100.0
60.01714	0.6
60.83854	0.3
61.98835	2.3
62.00790	0.3
64.24442	0.3
70.38090	0.3
70.69707	0.7
70.70072	0.4
71.01374	3.9
73.02960	0.9
77.17143	0.3
85.02956	1.1
86.03353	0.3
86.76919	0.3
89.02443	2.1
99.00864	0.5
101.02426	2.4
112.81191	0.3
113.02442	2.1
119.03521	0.7
123.08159	1.6
137.09763	0.7
146.70923	0.3
148.95110	0.3
155.75537	0.3
156.52135	0.3
159.02979	0.5
161.04544	2.9
163.11227	1.8
164.11682	0.3
169.91319	0.3
179.05591	0.7
188.82762	0.3
189.12856	2.8
207.13913	4.2
225.15047	1.4
312.80109	0.3
329.00211	0.4
387.20187	2.5
399.17639	0.4
404.50641	0.3
447.22623	1.0
451.38840	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
57.03431	0.5
59.01377	100.0
60.01717	0.7
61.98823	2.6
69.03465	0.6
71.01378	15.5
71.55372	0.5
73.02940	3.6
80.13057	0.4
83.01393	1.6
85.02960	4.9
87.00886	1.2
89.02444	8.3
93.03507	0.6
95.01389	1.1
96.96031	0.6
97.02952	0.6
97.06571	0.7
99.00877	6.1
101.02436	6.8
113.02448	5.1
115.00376	3.2
119.03528	1.8
123.04479	0.5
131.03545	1.1
133.01474	1.1
133.02956	5.6
134.03741	4.2
135.04567	1.2
140.70575	0.5
143.03586	0.7
149.04526	3.5
151.00435	0.7
155.10886	0.6
159.03044	0.7
160.01697	1.2
161.04530	4.0
175.03992	1.2
177.01991	0.9
178.02751	1.2
179.05554	0.6
183.13950	3.9
189.05650	1.2
190.06380	0.5
191.05676	1.9
211.13387	46.2
212.13824	1.8
233.04530	0.7
234.05267	0.5
253.09265	4.9
255.03076	2.3
256.03479	3.3
259.93939	0.5
275.09302	0.9
283.02417	0.7
284.03189	7.1
285.04034	9.3
286.04547	0.7
293.10373	3.7
315.18201	1.0
331.11859	1.1
429.25427	0.7
432.84125	0.6
447.09134	9.2
447.22491	6.2
447.27280	1.8
448.09695	0.9
448.22543	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
59.94733	0.2
62.96395	0.9
65.78572	0.2
69.95627	0.8
78.95901	32.9
92.03699	0.2
96.95992	0.9
96.96964	2.4
98.19965	0.3
112.26186	0.2
114.99994	0.2
135.21457	0.2
138.23929	0.2
149.00089	17.6
152.99625	0.6
158.92538	1.6
179.01152	2.1
205.15988	1.1
240.96565	0.3
267.11606	0.3
277.00464	0.2
285.04126	0.4
333.06784	0.3
347.08350	0.5
384.85513	0.2
417.12347	0.7
431.10266	2.5
432.10519	0.2
447.13397	100.0
448.13748	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05599	0.4
57.03416	0.6
59.01377	26.0
59.01653	1.0
60.01646	0.6
61.98828	6.1
63.02380	0.5
65.00288	0.5
69.60448	2.8
71.01377	5.5
72.99282	0.7
73.02943	3.3
78.91284	0.4
82.64871	0.4
83.01342	1.3
84.05424	0.4
85.02901	1.9
87.00834	1.5
87.04504	1.1
89.02448	2.4
90.49960	0.4
96.95979	1.1
97.06543	0.5
101.02455	3.3
102.91591	0.4
107.01388	1.0
113.02405	1.4
119.03424	1.1
122.67153	0.5
125.02418	0.4
130.14456	0.5
133.02936	6.7
135.08116	0.7
137.09721	4.4
141.09093	0.4
149.02417	1.3
151.00359	4.2
153.09183	0.6
155.10774	45.0
156.11078	1.4
161.04514	1.8
163.11266	0.5
169.12285	0.5
175.04025	2.5
179.05615	0.6
181.12202	0.5
187.03990	0.6
189.56767	0.5
199.03958	1.4
199.09747	44.8
200.10042	2.4
201.01920	0.8
207.13922	0.7
209.11737	0.6
211.13438	5.4
213.05528	0.6
213.11224	0.4
217.05020	1.2
225.14963	0.8
241.05055	0.8
241.10777	1.4
243.02924	0.9
253.09341	0.8
254.26137	0.5
255.02936	0.6
256.03589	1.0
284.03217	11.3
285.04022	100.0
286.04379	5.1
297.17853	0.5
312.44907	0.5
331.11938	0.7
343.21402	1.1
361.22333	3.7
387.20062	2.6
403.23352	3.5
447.09357	15.0
447.22223	5.6
447.26816	0.4
448.09821	2.0
448.22900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	luteolin-4'-O-glucoside
Peak:m/z	Relative Intensity
55.00076	0.1
58.66334	0.2
59.01109	0.2
59.01380	3.1
61.98825	1.1
63.02391	0.2
65.00318	0.7
68.78884	0.2
69.36333	1.4
71.01384	0.5
73.02942	0.2
76.62996	0.2
83.01382	0.7
85.02974	0.2
89.02423	0.4
101.02445	0.2
107.01385	1.8
113.02430	0.2
119.03468	0.2
121.02924	0.3
133.02946	7.3
134.03249	0.3
149.02458	1.5
151.00371	4.2
161.04640	0.2
171.04575	0.3
174.03235	0.2
175.03999	2.3
189.05519	0.2
197.06174	0.2
198.03323	0.2
199.04001	2.1
201.01918	0.8
211.03923	0.3
211.13382	0.6
213.05443	0.3
215.03452	0.2
217.05095	1.1
223.03990	0.2
225.14851	0.2
240.04082	0.2
241.05099	1.0
243.02966	0.6
255.02933	0.2
256.03745	2.0
257.04266	0.3
267.02963	0.2
284.03290	5.0
285.04028	100.0
286.04367	5.5
387.20230	0.3
405.71359	0.2
447.09302	25.5
448.09619	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.7
59.01375	5.6
69.20351	4.1
69.20763	1.0
71.01379	6.8
71.31441	0.6
72.99309	0.9
73.02940	1.5
80.12883	0.6
81.03454	1.6
83.01386	1.7
84.42464	0.5
85.02949	6.4
89.02446	3.4
90.19090	0.6
93.03481	0.7
95.01408	1.3
96.96005	2.3
97.02968	0.8
99.00874	3.5
99.78822	0.5
101.02450	3.1
108.02170	40.1
109.02956	27.4
113.02438	3.6
119.03458	0.9
121.02976	0.7
122.78284	0.5
123.00882	1.0
123.04520	11.9
131.03476	0.9
135.04546	0.9
149.04553	0.6
151.03957	0.6
152.01144	56.5
153.01935	51.7
153.05559	13.8
154.02261	1.8
161.04668	0.7
163.04007	1.6
241.07086	1.0
293.08942	0.9
297.07727	0.6
447.11371	100.0
448.11655	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	446.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22517	0.5
54.24426	0.5
59.01377	3.4
59.89906	0.5
61.98830	100.0
71.55791	0.4
89.02460	0.5
96.96004	2.7
106.34863	0.5
117.42082	0.4
119.41636	0.5
155.74059	0.5
211.13371	0.9
227.74469	0.5
255.03078	1.0
283.02557	0.8
284.03302	0.7
285.03973	1.0
446.08853	1.2
446.30173	0.8
447.09387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0931
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
59.01110	0.3
59.01378	5.0
60.92491	0.3
63.02382	0.8
64.99058	0.3
65.00324	0.9
69.51753	1.9
83.01385	0.7
85.02943	0.7
87.87215	0.3
89.02396	0.5
99.00882	0.4
101.02427	1.3
106.55059	0.3
107.01385	1.9
109.02933	0.6
113.02412	1.0
121.02938	0.3
133.02957	3.9
134.03690	0.7
139.47398	0.3
148.01735	0.3
149.02446	0.6
150.70140	0.3
151.00371	4.5
161.04568	1.6
171.04465	0.4
171.72786	0.3
175.03969	1.7
175.27090	0.3
183.04536	0.6
187.03976	0.3
188.04761	0.4
199.03934	1.2
200.04692	0.4
201.01942	0.5
211.03943	0.8
213.05577	0.4
217.05006	1.0
225.15004	0.7
227.03432	1.5
240.04092	0.4
241.05112	0.8
243.02882	0.5
255.02969	0.9
256.03720	3.7
257.04395	0.5
259.89328	0.3
283.02582	0.6
284.03247	60.4
285.04019	100.0
286.04367	6.5
297.03940	0.4
327.04968	0.8
361.22302	1.0
387.20233	1.1
403.23276	0.8
427.82059	0.3
447.09293	74.5
448.03723	0.6
448.09616	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	445.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01717	0.7
61.98828	3.8
68.13817	0.4
71.01367	0.6
71.25438	0.5
71.25798	0.4
77.85795	0.3
78.95909	0.5
89.02444	0.8
90.41483	0.3
90.67873	0.3
91.03986	2.4
96.96038	1.9
101.02414	0.4
124.68207	0.3
125.09757	0.5
135.04518	0.4
139.11397	0.3
152.99576	0.7
165.12904	0.6
166.52448	0.4
171.10344	1.0
183.13960	0.3
193.12379	1.0
200.01747	0.4
209.11943	0.6
211.13458	1.4
227.12877	0.9
255.03044	1.5
283.02536	0.6
293.21304	1.3
311.22250	17.1
312.22736	1.5
372.29712	0.4
419.48999	0.4
423.77740	0.4
445.11700	0.4
445.20416	1.6
446.08694	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43600	0.4
55.21523	0.3
59.01381	100.0
60.01726	0.8
65.93179	0.4
69.54373	2.7
91.04031	1.5
96.96014	2.4
112.70908	0.4
112.98575	0.5
179.22610	0.4
211.13486	1.1
293.21317	1.1
311.22284	10.1
312.22723	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.6
61.98827	100.0
71.01381	0.9
71.54454	0.5
84.90437	0.3
85.02936	0.4
89.02411	0.5
96.96026	1.2
108.02193	1.5
109.02973	0.6
130.08755	1.1
152.01166	2.0
153.01985	1.1
247.94809	0.3
447.11374	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	445.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75328	0.6
53.87008	0.6
55.01870	0.8
57.03444	1.2
58.00591	1.4
59.01379	85.4
60.01697	0.8
60.53776	0.6
61.73599	0.7
61.98823	1.8
71.01382	26.1
71.01781	1.4
71.55109	0.9
72.99313	1.9
73.02952	1.6
73.73000	0.6
76.38285	0.6
83.01399	2.0
85.02956	5.8
87.00888	2.4
89.02441	17.6
95.01392	1.6
96.96004	0.7
97.02916	0.7
99.00891	0.9
101.02431	10.9
113.02451	7.9
115.00375	5.6
117.03477	1.1
119.03502	5.9
121.02968	1.3
125.44588	0.6
133.01460	3.3
133.02951	11.5
134.03769	8.1
135.04582	3.9
135.39847	0.6
161.04584	1.1
162.03259	0.9
165.03281	0.6
177.01936	1.4
178.02676	1.3
179.03526	1.4
195.11145	0.6
205.07310	1.2
209.11917	3.4
231.10233	1.2
255.02956	10.2
265.18179	1.9
275.09293	2.1
283.02411	5.6
284.03424	0.7
293.10300	9.2
327.21747	0.8
391.12167	1.5
427.09979	0.8
427.23395	4.2
428.09576	1.0
445.24408	100.0
446.08487	6.5
446.24673	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	445.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.2
63.50122	0.4
69.34146	1.8
69.34580	2.0
78.95908	12.2
98.20665	0.8
98.66618	0.4
101.41550	0.4
104.97479	0.6
110.98536	7.7
167.01158	9.1
185.02190	4.4
259.20694	0.7
260.20288	0.4
267.81894	0.5
277.21719	100.0
278.22040	6.2
314.05896	0.4
445.23624	15.7
446.24081	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Dendroside G
Peak:m/z	Relative Intensity
55.01886	0.6
57.03450	0.8
59.01378	100.0
59.69774	0.5
61.98822	2.5
69.46792	3.5
71.01377	9.0
71.13423	0.5
72.99328	0.5
73.02960	1.2
75.09966	0.5
83.01411	0.9
85.02962	2.8
85.95981	0.6
87.00895	2.3
89.02438	12.1
96.96050	0.5
101.02436	6.9
113.02438	4.1
119.03490	7.4
123.21951	0.5
131.03522	0.6
143.03514	1.4
149.04605	0.8
161.04578	3.9
179.05594	4.0
181.12405	0.8
187.11230	3.6
204.11588	0.9
205.12349	3.9
209.11807	7.9
233.11804	2.5
253.09229	0.9
259.13437	1.0
277.14532	2.3
283.11310	0.6
312.09943	0.5
341.85709	0.5
350.98306	0.5
353.61099	0.7
359.21091	0.6
385.18698	5.3
401.21906	1.0
445.21082	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Dendroside G
Peak:m/z	Relative Intensity
52.46859	0.5
55.01859	1.9
55.23353	0.4
57.03435	1.5
58.00569	0.6
58.26786	0.5
59.01377	21.0
61.98835	2.3
63.35848	0.4
69.03461	0.7
71.01379	9.1
71.55556	0.8
72.99298	1.0
73.02944	56.8
73.34724	0.4
75.00883	0.8
83.05000	1.2
85.02950	2.4
86.31456	0.5
87.00900	0.8
87.04490	1.2
89.02450	4.9
95.01379	0.7
95.04933	0.5
96.95987	0.5
97.06588	1.8
97.98840	0.5
99.04518	1.0
101.02435	4.4
109.06586	1.6
113.02460	3.5
115.00381	0.8
115.04021	0.7
119.03483	1.8
133.01457	0.6
135.04501	0.8
135.08185	0.5
149.04488	0.7
161.04582	1.3
165.12840	8.7
191.10764	0.5
203.14357	1.4
209.11813	21.2
209.13811	1.1
210.12068	0.7
221.15483	8.8
223.13397	1.3
224.73105	0.5
227.87791	0.5
231.10245	1.5
239.16470	4.6
265.14395	2.1
275.09164	1.2
283.15488	100.0
284.15771	4.8
307.15570	0.9
325.16470	2.6
385.18527	0.8
445.14694	0.9
445.20572	12.5
446.20996	0.8
468.97910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87125	0.5
58.00591	1.1
59.01378	100.0
60.01707	1.0
69.46532	4.1
71.01376	20.9
72.99328	1.0
73.02988	1.3
75.18726	0.5
85.02969	2.8
87.00878	1.3
89.02441	30.7
95.01399	0.7
98.20602	1.3
101.02443	9.7
113.02441	9.3
116.43290	0.5
119.03499	13.7
131.03516	2.0
138.06897	1.0
143.03528	3.1
149.04607	1.6
151.07640	0.8
152.08478	1.6
153.09204	3.5
161.04558	5.0
179.05592	18.5
205.12466	0.9
216.98418	0.6
223.13298	2.6
385.18723	3.8
401.45453	0.6
445.20718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03451	2.9
58.00560	0.4
59.01376	15.5
61.98837	2.2
69.03440	0.5
69.75905	1.0
69.76315	1.7
70.29807	0.4
71.01376	7.4
71.23338	0.4
72.99278	0.7
73.02943	55.1
75.00880	0.9
83.01391	0.7
83.05029	1.0
85.02940	3.0
87.00871	0.7
87.04509	3.0
89.02432	3.3
95.01346	0.7
96.95983	0.7
97.06596	1.7
98.20568	0.6
99.00866	1.2
99.50400	0.4
101.02454	3.3
108.02186	0.4
113.02435	3.7
115.00353	1.3
115.04020	0.9
117.01959	0.6
119.03488	0.8
121.02958	0.6
133.01488	0.4
135.04463	0.8
136.01625	0.6
137.02402	0.5
142.84731	0.4
149.04523	0.8
161.04524	1.3
165.12822	9.9
179.05586	0.8
181.12335	1.5
191.10738	1.5
202.06335	0.4
204.16396	0.4
205.12303	0.6
209.11812	23.5
210.12149	1.2
221.15446	5.8
231.10205	1.0
239.16483	6.0
239.38422	0.5
265.14389	1.1
275.09189	1.3
283.15482	100.0
284.15820	6.8
285.07870	0.9
313.16360	0.5
325.16531	6.3
385.18707	0.8
409.20581	0.9
445.11383	0.7
445.20535	13.1
446.21017	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03842	0.7
55.01873	1.0
56.90344	0.6
57.03446	2.0
58.00582	1.3
59.01378	100.0
65.19019	0.6
69.46463	4.3
69.46780	1.2
71.01380	21.3
72.99333	0.9
73.02959	2.3
83.01405	2.4
85.02944	3.1
87.00876	1.5
89.02442	25.8
95.01401	1.2
95.87735	0.6
97.06615	0.8
99.00840	0.9
101.02440	18.1
113.02450	8.1
119.03498	13.6
121.06612	0.9
131.03513	0.7
143.03517	1.9
147.86021	0.6
149.04634	0.6
159.02943	0.8
161.04558	8.2
163.11221	0.6
165.09247	1.5
169.38702	0.7
170.53491	0.6
179.05614	7.5
205.12370	2.2
209.11830	0.8
223.13391	9.2
224.13950	1.0
233.11928	1.2
235.13385	1.3
237.15097	1.8
247.13419	1.1
255.08896	0.7
265.14413	5.0
304.09509	0.6
445.20941	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	41.1
61.98817	8.7
69.03439	3.2
71.01379	22.0
71.15063	6.6
71.15408	4.3
73.02943	13.7
78.91843	3.6
85.02987	5.5
85.99014	3.4
89.02442	37.3
96.96006	58.4
99.00869	44.1
101.02427	20.0
107.03938	3.6
113.02451	16.2
119.03533	5.4
129.05550	12.2
131.03468	4.1
149.04544	50.1
161.04558	13.2
191.05531	20.4
193.04988	4.3
233.06580	10.1
290.76935	3.7
315.50479	3.4
409.17130	100.0
410.17380	7.9
445.14709	68.4
446.15247	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	445.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66532	0.5
53.25834	0.5
59.01373	9.6
61.98828	0.9
71.01379	3.3
71.54002	0.6
72.55200	0.5
75.00868	72.8
76.01270	0.6
79.94669	0.6
85.02999	0.6
85.10104	0.5
89.02444	4.9
101.02459	1.6
103.00367	100.0
104.00677	1.2
104.03527	1.1
113.02448	1.3
119.03461	1.3
161.04523	0.7
163.75583	0.6
179.05637	2.9
242.29938	0.6
254.15411	0.5
341.10849	10.4
342.11099	0.7
369.66031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01360	0.8
59.01378	11.2
61.98822	4.7
71.01377	3.7
71.54666	1.3
72.00912	1.4
74.02468	0.9
75.00872	67.1
89.02444	6.3
95.37715	0.8
101.02441	2.8
103.00370	100.0
104.00744	0.9
104.03534	10.0
113.02419	2.0
115.25322	0.9
119.03481	1.5
131.03566	0.9
143.03552	0.9
162.64296	0.8
179.05585	2.4
195.08846	0.8
211.47069	0.9
252.82141	0.8
291.59415	1.0
311.91174	1.0
341.10895	12.9
409.17212	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
59.01379	9.4
61.91607	0.4
61.98830	100.0
69.03426	0.5
71.01380	4.9
71.54532	0.4
72.99284	0.4
73.02944	1.4
83.05035	0.5
85.02950	1.5
87.00886	1.0
89.02459	2.4
91.45268	0.4
93.03461	0.5
96.96020	1.2
97.24576	0.5
99.00886	0.5
101.02425	2.3
103.15161	0.4
113.02444	1.9
115.00339	0.8
118.33822	0.3
119.03507	0.5
119.05030	1.1
120.05392	0.5
129.22810	0.4
133.01411	0.6
161.04524	3.2
161.59952	0.4
163.04016	0.9
168.72879	0.4
179.05571	0.6
179.10789	0.8
180.75951	0.3
181.04352	0.4
193.12286	0.4
205.12283	0.6
209.11807	6.1
211.07668	1.2
223.13321	0.8
232.68593	0.4
238.09557	0.4
253.09340	0.7
261.46027	0.4
265.10764	3.2
279.21927	0.4
283.09793	0.8
284.10031	0.7
327.08691	1.0
328.09039	4.7
385.18845	0.7
402.14801	1.1
445.21109	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.1
61.16163	0.6
61.98832	100.0
71.01406	0.6
71.55923	1.2
71.56277	0.7
96.96005	7.7
109.09872	0.7
129.00360	0.6
149.36166	0.6
286.06152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01703	0.7
61.98834	0.5
62.12231	0.3
65.17104	0.4
65.63821	0.3
68.99567	0.5
70.83723	0.8
77.37154	0.3
91.04018	1.3
92.25288	0.4
95.04980	0.4
96.96011	10.0
96.96594	0.6
109.06617	1.1
111.08193	0.8
112.98579	0.5
121.02929	0.6
135.04529	0.8
154.35931	0.3
162.14278	0.4
197.11844	1.9
207.10278	1.4
211.13348	0.7
220.23669	0.3
291.19666	3.7
309.20734	8.6
310.21335	0.5
329.17242	0.4
425.09851	0.8
443.24020	2.0
444.24713	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01017	0.5
52.28492	0.5
53.43694	0.5
54.02714	0.5
59.01379	100.0
60.01719	0.9
61.98834	1.6
68.26141	0.5
69.18937	4.1
69.19343	0.8
71.01385	1.4
78.95895	0.6
79.95753	0.6
89.02450	1.3
91.04006	6.3
96.96008	12.1
96.96966	0.6
97.02986	0.5
97.06604	0.5
101.02430	1.1
105.66507	0.6
109.06595	7.7
111.08170	2.4
121.06618	0.8
135.04576	1.5
141.56267	0.5
151.57220	0.5
163.11292	2.7
197.11801	7.6
207.10242	12.1
211.13586	0.7
230.19124	0.5
253.09317	3.1
263.20126	0.8
287.96274	0.6
291.19666	5.1
309.20682	18.1
310.21088	0.7
362.18759	0.5
383.13074	1.0
443.25854	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01702	1.0
61.98840	1.1
62.03632	0.5
68.99567	0.9
71.01387	0.5
85.02945	0.5
89.02455	0.7
91.04021	1.8
96.96016	0.6
101.02459	1.2
109.06573	2.4
111.08184	1.2
112.98563	0.6
163.11333	1.5
173.68468	0.5
197.11826	2.5
207.10222	4.9
220.75273	0.5
252.46565	0.6
253.09183	1.3
291.19598	5.9
309.20688	14.7
310.20953	0.8
316.19238	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
59.01379	9.4
61.91607	0.4
61.98830	100.0
69.03426	0.5
71.01380	4.9
71.54532	0.4
72.99284	0.4
73.02944	1.4
83.05035	0.5
85.02950	1.5
87.00886	1.0
89.02459	2.4
91.45268	0.4
93.03461	0.5
96.96020	1.2
97.24576	0.5
99.00886	0.5
101.02425	2.3
103.15161	0.4
113.02444	1.9
115.00339	0.8
118.33822	0.3
119.03507	0.5
119.05030	1.1
120.05392	0.5
129.22810	0.4
133.01411	0.6
161.04524	3.2
161.59952	0.4
163.04016	0.9
168.72879	0.4
179.05571	0.6
179.10789	0.8
180.75951	0.3
181.04352	0.4
193.12286	0.4
205.12283	0.6
209.11807	6.1
211.07668	1.2
223.13321	0.8
232.68593	0.4
238.09557	0.4
253.09340	0.7
261.46027	0.4
265.10764	3.2
279.21927	0.4
283.09793	0.8
284.10031	0.7
327.08691	1.0
328.09039	4.7
385.18845	0.7
402.14801	1.1
445.21109	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48408	0.3
59.01105	0.6
59.01382	8.7
61.98842	0.6
69.03438	0.4
71.01396	2.5
71.14659	0.8
73.02947	0.3
73.03499	0.3
73.42757	0.3
77.07109	0.3
79.95737	1.9
85.02948	0.7
89.02457	2.2
91.28373	0.3
93.03438	0.7
96.96014	100.0
97.03000	0.4
97.95911	0.4
101.02453	1.7
113.02470	0.6
113.92632	1.0
115.00381	0.4
119.03526	0.6
129.61276	0.3
137.02449	1.2
176.03470	0.5
207.10236	0.4
269.99872	0.4
283.08658	1.5
325.09686	0.4
345.22842	2.3
346.23059	0.4
390.12045	1.6
426.09805	1.3
443.23193	9.3
444.10400	0.5
444.23322	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26307	0.4
55.49142	0.4
59.01378	100.0
60.01705	0.4
61.98829	1.3
69.54931	2.6
71.01357	0.4
76.42529	0.4
92.92834	0.4
93.89092	0.5
141.36760	0.4
163.39577	0.4
168.82736	0.4
175.47618	0.3
209.11893	0.7
229.22038	0.4
249.91063	0.4
291.19598	2.7
298.08215	0.4
309.20676	4.6
310.21164	0.5
359.56201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03031	0.6
59.01376	100.0
61.98836	3.8
64.09714	0.7
71.55873	1.1
89.79097	0.8
96.96009	15.7
102.53738	0.8
105.17393	0.6
109.06616	0.8
110.54708	0.8
124.94252	0.8
145.67110	0.7
163.84929	0.7
167.01382	0.9
199.34268	0.6
209.11858	1.3
249.84425	0.8
285.05807	2.3
291.19733	4.0
309.20715	7.5
409.41293	0.7
443.27338	0.9
462.32712	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01077	5.2
59.01377	100.0
61.98826	21.1
69.85915	4.1
69.98751	21.1
71.01382	27.1
73.02940	8.8
74.02465	19.1
77.95093	4.2
85.02923	9.7
89.02458	10.5
93.03466	7.6
96.96021	23.6
97.94786	4.9
98.95561	13.3
99.00889	4.9
101.02418	10.1
107.05036	58.7
109.06604	5.9
113.02457	8.7
115.00353	19.6
133.01436	28.6
134.03693	12.9
135.04089	5.0
136.01759	5.0
137.02208	4.7
149.04416	6.0
161.04596	4.7
168.00574	4.8
171.10245	12.9
179.07079	8.0
193.03203	8.7
207.10161	6.7
221.08023	9.2
221.11771	15.0
239.10597	4.6
282.13449	27.2
283.09500	7.4
327.13327	8.5
401.14365	6.6
407.18988	4.7
443.12149	20.3
443.16718	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1921
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01878	1.9
57.03435	1.9
58.00583	1.5
59.01381	36.2
63.16432	0.4
69.42348	1.1
69.42762	2.3
71.01382	24.7
71.41701	0.5
72.99312	2.2
73.02946	3.8
75.00890	0.5
83.01375	3.0
85.02955	7.6
85.88057	0.5
87.00866	1.1
89.02447	17.0
93.59970	0.5
95.01384	2.1
96.53149	0.5
96.95994	0.9
99.00874	1.7
101.02446	17.2
102.02798	0.5
106.44572	0.5
111.04522	1.2
113.02451	8.7
119.03521	6.7
119.05025	0.6
130.88864	0.4
159.02937	0.6
161.04602	1.1
179.05629	0.5
189.12801	1.4
219.13844	0.5
237.15175	0.6
248.74937	0.5
290.42163	0.5
327.08743	2.1
395.02673	0.5
443.19208	100.0
444.19516	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	442.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
61.41503	0.3
61.98827	100.0
62.59099	0.3
69.91531	1.7
71.01373	1.7
78.95899	0.8
83.19137	0.3
96.96037	0.9
98.20620	0.4
101.02437	0.5
115.00403	0.6
117.55297	0.3
119.05052	0.9
129.37775	0.4
131.03354	0.3
163.04073	0.5
193.05171	0.5
200.34555	0.4
277.05438	0.4
283.09946	0.5
327.08762	4.0
442.19434	1.3
443.19324	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83350	0.4
55.01876	3.3
55.43435	0.4
57.03450	1.9
57.26741	0.4
58.00603	0.4
59.01379	100.0
60.01720	1.0
61.98821	0.7
67.71120	0.4
69.03461	1.6
71.01380	36.2
71.54285	0.5
72.99315	1.2
73.02946	19.3
74.03284	0.4
75.00890	0.9
81.03488	0.5
83.01388	5.7
83.99305	0.4
85.02953	16.2
86.00098	0.4
87.00887	1.4
89.02448	6.5
93.03448	0.5
95.01385	2.4
96.96037	0.7
97.02951	2.2
99.00882	10.4
101.02443	24.7
102.02786	0.5
107.05048	0.8
111.00888	0.7
112.01670	1.1
113.02453	15.3
115.00348	0.5
121.02946	0.5
125.02470	1.9
129.01959	0.9
131.03522	1.8
133.01427	0.7
143.03508	2.6
159.02995	3.2
161.04552	16.0
163.04057	0.4
170.96494	0.4
181.12276	0.5
185.00912	0.7
191.05605	0.7
203.07108	0.9
203.10703	1.8
241.81837	0.3
249.11037	0.9
251.09283	3.1
269.10287	25.7
270.10657	0.9
311.11346	6.1
327.08517	0.4
344.63123	0.5
361.22552	1.8
383.13583	1.7
383.20447	1.5
401.14511	44.2
402.14780	2.9
443.15540	50.5
444.15894	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	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.3
59.01378	100.0
60.01706	0.8
61.98835	0.9
68.99588	0.3
69.23998	0.6
69.24404	1.8
71.01380	5.3
72.99319	0.3
73.02940	1.3
83.01383	0.5
85.02946	2.4
87.00887	0.3
89.02443	1.8
89.53159	0.2
93.12978	0.2
96.96017	0.8
99.00876	0.4
101.02432	2.6
113.02455	2.5
114.36732	0.2
119.03510	0.8
149.60614	0.2
154.62598	0.2
161.04552	1.9
179.05701	0.4
199.16222	0.2
231.32173	0.2
284.03384	0.3
341.19781	0.3
399.24081	0.7
441.14981	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.0
61.98819	1.8
71.01382	3.2
71.54762	1.3
71.55167	1.9
73.02950	1.9
85.02953	3.0
86.23888	1.5
89.02495	2.7
96.95996	3.4
101.02409	7.0
120.07026	1.4
131.03459	3.5
161.04552	18.6
162.83910	3.9
237.92952	1.5
279.23288	100.0
280.23669	7.0
346.29349	1.6
394.29745	1.6
441.20102	2.2
441.25479	3.2
443.88998	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	442.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.2
61.66179	0.2
61.98827	100.0
62.07221	0.2
62.57161	0.2
69.43801	1.5
71.01396	1.1
73.02938	0.4
73.70058	0.2
78.61269	0.2
82.05702	0.2
82.09875	0.3
87.71606	0.2
93.03407	0.3
96.96036	0.7
101.02481	0.3
115.00388	0.7
116.94856	0.2
119.05033	1.2
133.01436	0.5
141.09206	0.2
156.91515	0.2
163.03954	0.4
214.04794	0.3
215.09271	0.6
216.09743	0.3
237.09212	0.4
283.09790	0.5
297.08615	0.2
301.90793	0.2
327.08728	3.3
381.56558	0.3
408.22015	0.2
442.18555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2491
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
59.01378	100.0
60.01705	0.5
61.98833	0.4
70.67284	0.3
70.67603	0.6
71.01375	3.9
72.99305	0.4
73.02947	3.5
82.02942	0.3
83.01398	0.9
85.02946	0.7
89.02440	2.7
95.01385	0.4
96.96016	0.4
101.02441	3.2
104.76576	0.3
104.87391	0.3
113.02457	1.4
119.03468	0.8
123.74784	0.3
131.03539	0.4
135.04620	0.4
148.87813	0.3
161.04553	0.7
248.31941	0.3
332.36050	0.3
441.21323	0.7
445.74203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01718	0.8
61.98823	0.5
69.44896	1.0
69.45321	0.9
71.01384	5.1
73.02948	3.0
82.13048	0.3
83.01409	1.0
85.02972	0.8
89.02431	2.5
96.96030	0.7
101.02439	3.5
104.39772	0.3
108.60136	0.2
113.02448	1.5
119.03484	0.7
131.03535	0.4
143.03485	0.4
161.04550	0.8
179.05632	0.4
381.30710	0.3
407.55612	0.3
418.22552	0.3
419.59842	0.3
441.21149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31945	0.9
59.01379	100.0
60.01715	1.0
61.98819	2.8
65.51176	0.9
70.55798	1.1
71.01380	1.5
76.44424	0.9
80.63413	0.9
92.92759	1.3
96.95959	1.9
98.20669	2.1
147.03001	1.0
151.36334	1.1
155.15820	1.0
155.17249	1.1
201.50131	1.0
229.46176	1.0
230.32385	0.9
241.11548	0.9
241.14348	1.6
283.99341	1.0
289.18088	6.1
293.21225	2.5
307.19196	6.0
386.41611	1.1
441.17346	1.1
441.24438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2489
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
54.10677	0.4
59.01377	100.0
60.01719	1.0
61.98837	1.1
68.58245	0.3
69.03452	0.6
71.01380	5.3
71.55531	0.4
72.99309	0.6
73.02950	2.2
75.75723	0.3
83.01404	0.9
85.02940	2.3
87.00896	0.4
89.02461	1.5
95.01377	0.5
96.55910	0.3
96.96011	1.2
97.02959	0.4
99.00871	0.6
99.92607	0.3
100.36501	0.3
101.02439	3.0
106.20218	0.3
113.02453	2.3
116.92857	0.4
119.03524	0.6
127.07609	0.3
130.49187	0.3
131.04694	0.3
140.13715	0.3
143.03572	0.3
148.05295	0.4
159.03001	0.5
161.04538	2.7
163.07690	0.6
175.41705	0.3
277.01434	0.3
399.23972	2.0
441.21445	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2031
Annotation	Grandilodine A
Peak:m/z	Relative Intensity
56.97270	0.6
65.99839	2.0
69.17293	6.3
73.91881	0.6
96.56371	0.7
96.96023	0.9
100.53783	0.6
101.06081	2.1
117.64569	0.8
196.11282	1.2
233.47290	0.7
254.15463	9.5
266.22125	0.7
278.11819	2.4
280.16953	1.8
294.14957	6.2
295.15567	0.8
332.16327	0.9
333.17191	2.1
348.19550	3.3
350.17899	1.4
381.20416	1.2
384.13190	3.4
441.20279	100.0
442.20554	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	441.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01718	0.8
61.98831	1.5
69.43472	1.9
69.43897	1.1
70.06068	0.4
71.01408	0.5
86.48082	0.4
91.04882	0.4
93.65770	0.4
96.96002	0.5
98.19891	0.7
129.33337	0.4
248.28989	0.4
289.03705	0.5
289.18008	3.9
290.04245	0.7
307.19070	4.1
440.13828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2495
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
58.76243	0.2
59.01381	100.0
60.01721	0.8
61.98818	0.3
62.39857	0.2
68.99572	0.5
69.19532	0.2
69.19872	2.7
71.01385	5.6
72.45826	0.2
73.02971	1.4
74.21210	0.2
83.01405	0.6
85.02953	2.1
89.01399	0.3
89.02454	2.4
93.94810	0.2
95.01414	0.4
99.00890	0.6
101.02446	3.4
112.98595	0.6
113.02441	2.0
119.03510	0.8
131.03487	0.3
137.21718	0.3
161.04553	1.2
179.05678	0.2
180.52603	0.3
182.06172	0.2
201.20331	0.2
209.85484	0.3
230.50708	0.2
327.52924	0.3
381.22672	0.3
399.24081	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39046	0.7
55.01873	2.8
57.03448	3.2
59.01379	22.5
61.98840	9.3
69.30489	5.6
71.01380	32.3
71.01779	1.6
72.99318	1.6
73.02948	17.9
83.01395	5.8
83.01811	1.0
85.02950	15.5
86.30979	0.9
87.00879	3.0
89.02455	7.6
95.01383	2.3
96.96011	4.4
97.02968	1.5
98.95586	1.1
99.00896	6.7
101.02442	33.7
111.00811	0.9
113.02444	13.6
115.00362	0.9
115.04025	1.2
119.03471	2.1
125.02448	2.2
129.01900	1.3
131.03526	1.0
133.01425	1.7
134.03767	1.3
135.04460	1.2
139.07690	0.8
143.03490	1.9
145.55814	1.0
159.02995	3.9
161.04565	11.2
163.73254	0.8
193.05081	1.3
212.93829	0.8
222.23721	0.9
233.06691	1.2
249.13423	34.4
250.13895	1.6
279.14334	1.9
293.09009	0.9
348.11243	1.0
381.17642	100.0
382.17935	7.7
441.08566	1.3
441.18314	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	441.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.6
57.03445	2.1
58.00608	1.1
59.01377	20.9
59.97221	1.3
61.98809	3.5
69.03429	1.9
69.65560	7.3
71.01379	29.3
72.99281	2.1
73.02937	18.5
79.95736	2.2
83.01375	8.0
85.02944	13.7
89.02431	4.6
95.01347	2.3
96.96014	9.7
99.00896	6.6
101.02438	31.4
113.02435	11.1
125.02442	1.7
129.01913	1.3
131.03474	1.4
133.01443	1.6
135.04459	1.5
143.03459	2.1
143.32133	1.2
159.02943	1.3
161.04561	8.6
193.05046	1.4
214.87794	1.2
243.12231	2.7
249.13400	36.8
283.09833	1.7
381.17639	100.0
382.18036	6.9
441.07938	2.2
441.17407	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.7
61.98821	16.4
62.47506	3.8
69.17154	28.9
69.17579	11.5
71.01382	19.7
73.02953	4.2
85.02935	6.4
89.02412	7.0
96.96021	10.8
98.95652	3.9
101.02429	12.8
115.00344	6.2
133.01282	4.0
138.85257	4.6
183.82156	4.0
257.78442	3.7
274.61108	3.9
309.15332	6.8
325.09442	6.8
379.16544	4.7
417.33990	4.4
441.08932	7.0
441.18958	100.0
441.29156	4.3
442.19260	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	441.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47136	1.2
59.01381	71.3
61.98840	7.7
70.78261	1.1
71.01383	27.6
71.55814	1.2
79.95737	25.2
85.02934	1.6
89.02442	3.9
95.95229	19.4
96.96014	64.4
97.06606	2.7
101.02447	3.1
107.92502	1.0
108.02153	2.4
109.02979	2.0
110.97595	6.1
113.02457	1.3
115.00367	22.6
121.02949	2.8
133.01437	13.7
134.03740	86.4
135.04565	9.3
136.01662	61.3
136.99149	3.5
137.02383	4.0
151.04070	1.0
164.18417	1.0
165.05537	1.0
167.00194	33.0
179.05630	1.6
187.07623	3.0
191.11005	1.1
201.11165	1.2
205.37589	1.0
223.17615	1.0
231.10255	28.4
232.10571	3.6
233.08188	7.9
251.11412	1.7
269.98923	1.2
275.09247	1.7
279.09167	1.2
287.06058	1.2
293.10327	9.8
311.86887	1.0
325.12909	100.0
326.13245	7.4
331.12085	1.2
426.09912	1.6
441.12265	78.0
442.12637	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	441.1762
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
52.53643	0.9
57.03443	1.8
58.00567	1.8
59.01379	95.2
61.98823	4.2
71.01382	55.1
71.54781	1.2
71.84100	1.3
72.99293	5.0
73.02940	3.5
79.39805	1.3
81.64410	1.0
83.01385	2.9
85.02947	11.8
87.00864	3.4
89.02444	57.8
90.02731	1.0
93.03455	7.7
93.54560	1.1
95.01379	3.9
96.96003	10.1
97.02947	1.7
99.00883	2.1
101.02442	34.9
109.02972	6.9
111.04449	2.1
113.02441	23.2
115.00378	1.6
119.03492	22.5
121.06563	1.4
122.03696	1.4
123.04533	1.4
124.05283	1.1
127.29936	1.0
130.08707	1.2
131.03534	2.6
133.01451	3.2
133.06598	12.9
134.03706	2.2
135.04530	3.9
137.02448	1.8
137.06126	1.6
139.07664	12.7
143.03481	4.5
145.02971	5.0
148.05344	1.5
149.04575	2.7
149.06070	2.6
150.06956	1.3
151.07579	1.3
155.10803	2.3
161.04591	6.3
161.05724	1.0
162.96587	1.0
169.08705	2.0
179.05620	7.1
183.10228	1.7
187.11288	1.3
187.76006	1.2
199.09808	1.2
199.13371	1.4
205.12369	4.4
217.12311	4.8
219.06293	1.4
235.13405	2.5
241.00143	2.3
243.12425	2.9
279.09241	1.5
282.11349	2.3
325.07135	7.5
330.13205	23.0
331.13870	14.2
395.19189	1.3
397.18790	5.7
405.17627	1.9
432.24609	1.2
441.17697	100.0
442.18228	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	440.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.1
61.98824	57.8
62.20679	1.5
69.57165	10.3
70.13898	1.5
71.01381	5.4
73.02941	3.3
77.06671	1.4
81.02651	1.4
85.02930	3.4
89.02459	4.5
96.95989	3.4
98.20800	1.6
99.00892	1.6
101.02448	1.9
113.02464	2.4
114.02631	1.3
123.08135	3.6
138.78987	1.4
141.09190	25.6
153.09221	9.6
154.88174	1.5
171.10262	31.1
185.08159	5.8
197.08136	6.3
215.09218	100.0
216.09555	3.8
257.10352	3.2
279.10605	1.3
377.14490	29.4
378.14825	1.8
380.16397	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	440.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46064	1.2
52.50222	1.1
53.90558	1.1
59.01376	7.1
61.98829	51.3
65.24143	1.4
69.56575	9.0
71.01380	6.1
73.02944	4.2
83.01399	1.2
85.02970	3.1
86.31844	1.1
89.02445	3.8
92.58775	1.3
96.96018	3.3
101.02442	2.7
112.54988	1.3
113.02454	1.8
123.08145	4.2
135.08151	1.6
141.09218	25.9
153.09210	12.5
171.10260	29.9
185.08167	5.9
197.08171	5.9
215.09229	100.0
216.09566	4.3
239.09282	1.4
257.10327	2.7
302.57233	1.3
377.14508	27.2
378.14621	2.2
379.15836	1.9
380.16434	8.6
440.17163	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29906	0.6
55.19263	0.5
58.56011	0.5
59.01378	33.7
61.98825	4.8
69.20325	6.0
71.01382	15.5
71.86579	0.6
78.91887	1.9
79.95733	29.9
80.96496	0.9
85.02950	1.2
87.00867	1.2
89.02461	3.3
93.03452	2.9
95.35526	0.6
95.94604	0.9
95.95229	22.7
96.96006	80.1
97.06571	0.9
101.02454	2.0
108.02151	0.8
109.02937	2.3
110.97581	8.1
113.02449	0.9
115.00370	10.8
119.03565	0.9
121.02991	1.5
123.04527	1.3
129.01984	0.8
133.01424	8.1
134.03735	39.5
135.04543	4.4
136.01657	23.1
136.99144	5.4
137.02461	3.6
140.73692	0.6
141.95776	0.9
145.02910	1.2
159.04494	1.3
161.04558	0.6
165.05589	2.1
167.00182	42.1
168.00458	0.9
179.05545	1.3
179.07130	0.8
187.04030	0.8
187.07599	1.9
193.05005	0.7
202.06352	0.8
214.70744	0.6
231.10231	13.5
232.10664	0.8
233.08133	3.6
253.08652	3.0
259.02756	0.9
273.04367	1.6
279.09189	0.9
279.12308	0.9
287.05963	1.2
293.10156	3.1
303.05356	2.5
325.07352	4.3
325.12891	36.5
326.07285	0.8
326.13245	2.7
327.53424	0.7
361.16608	1.4
395.08136	1.0
426.09921	2.6
441.12198	100.0
442.12515	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	439.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.7
55.07227	0.4
56.28008	0.5
57.03450	4.1
59.01376	31.8
59.01651	1.5
61.98826	5.5
64.32149	0.4
69.03423	1.1
69.24407	3.8
69.24815	0.8
69.76624	0.4
70.37541	0.5
71.01379	21.2
72.99268	1.1
73.02946	5.2
75.00838	0.6
75.49779	0.5
78.95897	0.7
79.95735	0.7
80.91638	0.6
83.01371	2.5
85.02947	8.7
87.00420	0.7
87.00868	7.8
87.04485	1.5
89.02444	8.4
93.03396	0.8
95.01334	1.4
96.40388	0.4
96.96007	26.0
97.02946	0.6
98.20650	1.2
99.00879	2.3
101.02436	13.8
111.00854	1.0
113.02435	7.0
115.00378	3.0
119.03478	1.0
125.02388	1.4
127.11287	6.8
129.01881	0.7
131.03479	3.1
133.01414	3.1
134.03714	0.6
143.03499	0.8
146.03726	5.0
148.05241	1.5
149.04504	2.3
159.02966	0.8
159.04234	0.6
161.02353	1.1
161.04527	4.9
171.10236	1.6
174.03206	2.5
175.07632	12.0
179.05563	1.1
201.11302	1.0
203.07130	6.4
203.11761	0.7
217.14420	100.0
218.14752	5.2
233.04546	0.7
233.06598	0.9
235.06042	1.2
235.09738	4.6
235.11768	1.0
241.10796	1.1
241.14391	3.7
247.09718	1.2
248.55568	0.5
284.06915	1.6
291.08664	3.4
292.74023	0.5
299.09213	1.9
307.17581	12.0
308.18042	0.6
319.17618	0.8
323.11469	0.6
329.10193	0.6
359.11444	0.7
396.18015	0.8
397.17188	3.3
439.06931	4.4
439.17114	1.5
439.21991	18.5
440.22424	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	439.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37209	0.5
55.01841	1.1
57.03447	4.2
58.00574	0.8
59.01377	38.6
59.01656	1.2
61.98829	7.1
67.41373	0.6
69.03430	1.6
71.01379	25.6
71.55688	1.0
72.01680	0.9
72.99296	1.0
73.02948	5.8
78.95869	1.1
79.95719	1.1
83.00094	0.6
83.01389	3.8
85.02946	8.7
87.00880	7.4
87.04453	1.1
89.01954	0.8
89.02443	10.1
91.90193	0.5
95.01349	1.6
95.64709	0.6
96.96004	30.5
97.02931	1.0
99.00883	3.7
101.01810	1.0
101.02436	17.0
102.46090	0.5
111.00871	1.5
113.01714	0.7
113.02434	8.0
115.00342	3.1
119.03479	1.4
125.02415	1.1
127.10468	0.7
127.11287	5.3
131.03499	3.5
133.01433	4.4
135.04474	0.9
146.03735	5.3
148.05273	2.0
149.04501	2.6
150.03148	0.8
157.06468	0.6
159.03018	1.3
161.02397	0.9
161.04521	4.8
171.10222	1.8
174.03232	1.4
175.07632	11.4
176.81773	0.6
179.03381	0.7
191.05544	1.2
201.09300	0.8
201.11288	1.7
203.07114	6.0
217.14426	100.0
218.14722	3.4
229.08621	0.7
235.06041	1.2
235.09676	3.9
235.11769	0.7
241.10718	1.5
241.14452	4.4
247.09694	1.3
260.17865	0.6
263.58740	0.6
270.18689	0.7
291.08691	3.0
299.09216	1.7
307.17624	16.1
308.17712	0.9
323.11487	1.1
337.18884	1.1
344.18591	0.8
379.20020	0.7
396.18362	0.7
397.17178	2.7
439.07150	3.2
439.16946	2.1
439.21954	20.4
440.22198	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77954	0.8
55.01854	1.2
59.01102	1.6
59.01380	18.2
61.98827	6.8
71.01385	14.9
71.24247	1.5
72.99264	1.0
73.02943	6.4
75.00864	2.3
79.95738	2.1
83.01369	1.5
85.02948	5.6
89.02448	6.7
93.03426	1.1
96.92209	2.8
96.96011	100.0
99.00865	2.1
101.02436	11.4
109.02940	1.0
113.02455	6.9
119.03491	1.5
119.05032	1.4
131.03525	1.1
135.04507	7.3
137.02452	2.1
138.05568	1.0
141.09148	1.5
143.03481	1.3
149.02490	1.7
149.06107	1.5
150.03250	3.5
153.05592	2.5
161.04538	7.1
165.01965	1.5
165.05565	5.0
179.03499	1.8
180.04257	2.6
185.08212	1.1
195.06647	5.3
197.04353	1.1
214.58139	1.1
215.09229	1.2
241.00148	1.5
247.11911	6.8
278.07477	1.1
278.10349	3.4
379.16006	31.8
380.16501	2.3
395.15460	1.9
411.13663	1.0
439.04858	2.7
439.17499	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	439.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10538	0.9
54.15536	0.9
59.01374	6.9
61.98829	4.2
67.11134	0.8
70.38576	3.2
71.01370	3.8
75.00907	1.0
78.95925	1.3
79.95751	2.2
85.95671	0.9
89.02445	2.8
93.58323	1.0
96.96011	100.0
96.96999	3.7
101.02435	1.8
113.02441	1.3
127.90318	1.0
133.06577	2.0
135.04527	2.7
138.05623	1.9
165.01929	2.7
165.05550	2.6
180.04218	2.1
195.06616	3.7
225.07683	1.9
277.00250	2.6
314.15521	1.0
439.17505	22.5
440.17337	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	439.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.1
61.98819	4.2
63.00989	1.0
63.73905	0.9
71.01386	5.5
71.53901	1.3
73.02935	2.9
75.09197	0.9
77.15190	0.9
78.39688	0.9
78.95914	1.1
79.95745	2.1
83.01388	1.1
85.02954	3.1
88.57350	0.9
89.02435	4.2
96.96010	100.0
96.97009	3.0
99.00890	1.0
101.02467	5.9
113.02461	4.8
119.03517	1.5
123.04485	1.0
129.05586	1.2
135.04541	1.8
137.02464	1.9
150.03253	1.8
152.01161	2.0
153.01958	1.7
161.02470	1.2
161.04558	3.3
165.01898	2.9
165.05548	2.2
167.03464	1.4
177.01955	2.5
179.03531	1.5
180.04256	1.9
185.59627	1.0
193.04875	0.9
195.06606	3.6
223.06082	3.0
277.03369	1.3
277.12793	1.3
319.13858	1.7
337.14914	1.3
342.91290	1.0
379.16003	2.4
391.13931	1.3
399.34186	1.0
403.12039	1.3
404.00705	1.6
439.08383	3.4
439.17661	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	439.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05312	0.4
59.01375	10.9
61.98532	0.6
61.98829	6.6
69.03440	0.8
69.52254	2.5
69.92641	0.4
71.01379	1.6
73.02925	0.9
77.28358	0.4
78.91942	0.4
79.95728	14.7
85.02937	0.5
88.06367	0.4
88.98778	0.9
89.02464	0.9
90.42152	0.4
95.95225	3.8
96.21701	0.4
96.96004	100.0
97.02973	0.4
97.06599	0.4
97.95926	0.5
98.19939	0.8
101.02449	1.1
104.85377	0.4
108.02163	0.5
110.97572	9.2
113.02411	0.5
115.00298	0.6
122.97600	0.4
125.76350	0.4
129.85945	0.3
134.03755	0.5
135.04539	1.0
136.01599	0.4
137.02411	0.7
139.84726	0.4
151.00638	0.5
151.03958	0.5
161.04536	0.4
163.03976	0.6
179.03508	0.9
185.00844	0.6
191.07190	0.4
193.05098	0.7
228.12596	0.4
229.08562	0.4
236.96542	0.4
251.05588	0.8
254.05899	0.4
259.02731	0.8
260.03455	0.8
269.08176	2.6
283.09805	0.4
299.09332	2.1
300.10266	0.4
311.09323	0.6
314.11615	4.9
315.12234	0.8
323.11221	0.5
326.11505	1.1
329.13931	2.6
339.81607	0.4
341.13858	0.6
394.07352	2.4
409.09552	7.9
410.09750	0.7
421.09686	0.9
424.08188	0.9
425.08810	0.4
439.10602	69.1
440.10828	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	439.1065
Annotation	Hallactone B
Peak:m/z	Relative Intensity
62.74686	0.4
71.31381	0.5
79.95737	52.4
80.96510	1.1
95.95229	14.3
96.96010	98.9
108.02139	0.6
109.03004	0.5
109.96777	0.8
110.97585	5.3
123.04581	0.6
135.04608	0.5
137.02406	2.0
139.24538	0.5
141.80157	0.4
141.95764	1.6
149.99919	1.9
160.05362	0.5
163.03941	0.4
164.98665	0.4
175.07568	0.4
177.05577	0.8
178.06349	0.8
200.45288	0.4
259.02759	2.2
273.04434	0.7
315.05521	0.9
402.23560	0.5
422.49643	0.4
424.08344	3.7
439.10651	100.0
440.11053	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	439.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12612	0.2
59.01378	0.4
61.98830	1.9
71.01373	0.6
71.14546	0.4
73.99170	0.2
78.95907	1.5
79.95740	2.0
83.32125	0.2
90.22527	0.2
90.97141	0.3
96.92205	1.3
96.96007	100.0
96.96886	3.3
97.95977	0.4
118.96604	2.1
132.98178	0.5
135.04512	0.7
146.86574	0.2
160.97697	0.6
175.72728	0.2
210.99194	0.4
217.00304	2.2
217.02472	0.3
229.00375	0.3
235.98056	0.3
241.00281	0.3
250.66925	0.3
259.01300	1.0
341.10742	0.2
399.59830	0.2
439.07468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69535	0.3
59.01379	9.3
61.98833	2.2
66.33979	0.3
69.03450	1.1
71.01387	1.4
71.55045	0.4
72.65563	0.3
73.02945	0.6
79.95735	13.9
83.04951	0.4
85.02940	0.6
88.98770	0.4
95.07554	0.3
95.95236	3.7
96.96010	100.0
99.00868	0.4
101.02451	0.4
108.02174	0.6
110.97576	10.3
113.02374	0.4
115.00343	0.7
119.05009	0.5
121.02931	0.6
122.97577	0.5
123.04508	0.3
125.80459	0.3
135.04489	0.8
149.02454	0.3
151.04033	1.0
179.03525	0.7
180.07774	0.6
185.00928	0.7
223.09589	0.4
253.04971	0.4
259.02780	0.8
260.03622	0.8
268.03516	0.4
269.08157	3.3
274.36066	0.3
274.43344	0.3
283.09576	0.4
299.09283	1.4
300.09729	0.4
311.09192	1.2
313.10666	0.5
314.11526	5.9
315.11847	0.7
323.11362	0.5
325.10907	0.3
326.11572	1.3
329.13843	3.4
341.13892	0.8
379.05154	0.4
393.06308	0.4
394.07251	2.6
395.07840	0.7
409.04517	0.5
409.09637	8.2
410.10107	0.6
421.09235	1.9
424.08240	0.9
439.10635	69.7
440.10858	6.3
440.16330	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99315	0.4
54.02907	0.4
59.01377	35.2
61.98827	100.0
71.01380	3.6
71.56286	0.5
72.99335	0.5
73.02939	1.0
78.95897	0.4
79.22883	0.3
79.95722	0.5
83.01408	0.4
85.02972	0.9
87.04562	0.5
87.64405	0.4
89.02458	1.3
93.03492	0.4
96.96012	3.2
101.02454	1.6
103.04025	1.0
106.65911	0.4
111.85177	0.4
113.02448	1.2
115.00375	0.6
122.02486	4.4
133.01430	0.5
134.03745	0.7
135.04512	0.9
136.04889	0.5
137.02483	0.6
143.03561	0.4
147.04501	1.1
158.61716	0.4
161.04599	1.0
166.41144	0.4
167.29135	0.4
179.03450	0.7
180.03893	0.7
184.14751	0.4
253.08917	0.5
255.02971	0.5
285.88272	0.4
322.24890	0.4
375.20193	6.9
376.20685	0.5
379.21893	0.4
397.22501	0.8
438.10150	0.5
439.14111	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	439.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.7
59.84275	0.2
61.98814	0.4
63.09818	0.2
65.15774	0.2
70.00363	0.9
70.00780	0.4
71.01369	0.4
78.95892	2.0
79.95745	1.4
96.96011	100.0
96.96895	3.8
97.95911	0.4
98.19920	0.3
109.16173	0.2
118.96641	0.8
148.02902	0.2
156.98187	0.3
160.97618	0.3
217.00320	0.6
341.10938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43739	0.4
78.95887	1.4
79.95739	1.6
94.12670	0.3
94.95726	0.3
96.92203	0.6
96.96009	100.0
96.96893	4.2
97.95926	0.4
135.71104	0.2
142.37877	0.3
178.97801	0.4
181.70471	0.3
248.44981	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66087	0.3
54.91834	0.3
56.11676	0.3
59.01377	8.8
60.01695	0.4
61.24058	0.3
61.98828	100.0
69.03475	0.4
69.81720	0.8
69.82111	0.6
71.01384	1.7
72.01708	0.4
75.75060	0.3
89.02434	1.9
90.02800	0.4
96.96004	1.1
98.19975	0.5
99.00933	0.4
101.02420	0.7
113.14035	0.3
115.00381	0.3
125.02433	0.8
131.80075	0.3
133.01448	0.3
143.10788	0.6
144.11145	0.5
149.04491	0.5
149.21819	0.3
167.74286	0.3
187.88661	0.3
233.06601	0.4
294.09067	0.4
339.43677	0.3
438.29498	0.4
439.13492	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86656	1.8
57.03456	3.2
59.01380	64.1
61.98828	33.3
71.01397	9.1
71.55471	2.3
72.99311	2.2
73.02930	3.9
74.15255	1.6
85.02946	3.8
89.02452	2.4
93.03469	3.5
96.96012	10.9
101.02439	5.0
103.96725	1.6
106.06599	2.3
108.02147	3.5
108.04520	5.4
109.02975	3.3
113.02416	3.5
118.06641	2.8
119.05003	1.8
120.04575	3.7
121.02869	2.0
122.02495	5.4
123.03231	5.6
124.04053	5.5
124.98763	2.0
129.05763	2.7
134.03807	2.4
135.04593	2.2
136.04036	6.6
137.04807	6.5
138.05606	5.4
144.08179	6.9
145.02832	1.9
146.06134	3.4
147.03224	2.4
148.04024	9.5
149.04860	2.4
150.05592	33.6
151.06339	1.8
152.07169	2.6
160.04019	4.7
160.07671	4.2
161.04619	3.1
162.05611	60.1
163.06218	3.4
164.07170	56.9
165.07588	2.1
171.10260	2.2
173.04807	10.5
174.05559	4.0
176.07162	71.4
186.05594	1.9
187.06447	2.1
188.07161	100.0
189.07816	8.3
189.58054	1.9
190.08727	2.1
199.07663	1.7
222.05962	44.2
247.09560	2.4
272.16559	7.6
280.12964	1.9
286.42300	1.7
290.13840	4.9
298.14462	5.0
305.10312	1.8
309.68195	1.8
316.15500	63.0
317.15817	3.8
324.15982	2.2
330.17102	6.0
334.16586	99.8
335.16873	9.5
342.17081	13.5
348.18164	15.4
360.18124	19.0
376.15768	5.1
394.16925	50.6
394.22009	2.9
395.17130	4.2
438.23886	5.6
439.13943	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	437.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01723	1.0
61.98841	4.4
69.03474	2.7
70.75092	0.6
71.01376	4.7
71.55888	0.9
71.56262	0.7
72.27450	0.5
72.68569	0.7
73.02960	2.5
77.76811	0.5
79.88017	0.5
85.02984	0.8
87.04517	39.8
88.04863	1.0
88.98806	0.6
89.02454	0.9
96.96005	1.5
97.02978	0.9
99.00880	1.4
101.02469	2.5
113.02498	0.8
124.53270	0.6
125.02428	0.8
169.69086	0.6
185.00980	1.8
186.89935	0.8
201.11372	1.0
215.14430	0.8
295.14175	1.2
377.21957	0.9
381.09601	1.5
437.17758	0.7
437.30890	2.0
459.66290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54254	0.2
59.01381	0.7
60.68517	0.2
61.22363	0.2
61.98828	100.0
67.84505	0.2
70.81238	0.5
71.01393	0.5
78.95894	0.5
79.95733	0.5
88.71561	0.2
89.02444	0.5
92.64894	0.3
94.92513	0.5
96.96009	33.3
96.96890	1.3
99.00925	0.3
152.77335	0.2
158.42104	0.2
164.07170	0.4
164.74609	0.2
217.00204	0.5
241.07199	0.3
325.13141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	28.8
61.98820	19.5
69.03426	3.1
70.03178	8.3
71.01373	19.8
72.01722	2.7
73.02942	5.1
74.78823	1.8
75.00852	2.1
76.49089	2.0
78.95894	2.0
83.01364	2.5
85.02950	5.1
87.00885	3.5
89.02442	8.3
95.05006	2.1
96.96009	26.8
97.02951	1.9
98.19878	2.4
101.02433	8.5
102.02779	2.8
107.33229	1.8
113.02467	5.8
114.16810	1.8
115.00422	2.1
120.01243	100.0
120.87112	1.8
122.06146	3.9
126.02790	2.2
131.03493	1.9
131.07129	3.3
133.01408	3.7
134.06125	10.0
135.04472	1.8
136.04028	20.8
136.07678	45.2
137.08041	2.2
154.35637	1.6
159.05632	2.0
160.79962	1.7
161.04575	3.5
175.07631	4.8
177.10260	2.3
203.07031	2.4
212.10779	7.8
215.09547	2.6
226.07593	2.3
230.11858	8.9
239.08173	3.1
240.09039	7.0
247.09665	2.4
255.11362	80.0
256.11719	5.1
273.12405	56.9
274.12601	3.8
283.13300	3.2
289.10144	5.2
298.15573	27.0
299.10382	17.7
306.16522	5.3
317.11472	7.0
319.17465	2.9
333.08997	6.6
342.14532	26.0
401.14581	3.4
402.14954	4.7
438.12436	6.6
438.20602	13.9
439.11292	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	437.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19811	0.4
57.03437	0.5
59.01379	100.0
60.01703	0.5
61.98841	2.4
71.01379	7.2
71.54708	0.6
73.02948	1.6
85.02940	3.1
87.00911	0.5
89.02455	2.6
95.01445	0.5
97.02917	0.6
99.00910	1.4
101.02438	5.3
106.64161	0.4
109.96054	0.5
113.02469	2.9
119.03510	1.0
143.03603	0.6
145.08766	0.5
149.04552	0.6
159.02942	0.7
161.04601	1.8
173.15529	0.6
179.03391	0.4
191.54350	0.4
305.19888	0.9
317.19781	2.0
335.20731	11.6
336.21198	1.1
377.21771	5.2
437.23529	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	437.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01723	1.0
61.98841	4.4
69.03474	2.7
70.75092	0.6
71.01376	4.7
71.55888	0.9
71.56262	0.7
72.27450	0.5
72.68569	0.7
73.02960	2.5
77.76811	0.5
79.88017	0.5
85.02984	0.8
87.04517	39.8
88.04863	1.0
88.98806	0.6
89.02454	0.9
96.96005	1.5
97.02978	0.9
99.00880	1.4
101.02469	2.5
113.02498	0.8
124.53270	0.6
125.02428	0.8
169.69086	0.6
185.00980	1.8
186.89935	0.8
201.11372	1.0
215.14430	0.8
295.14175	1.2
377.21957	0.9
381.09601	1.5
437.17758	0.7
437.30890	2.0
459.66290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45139	0.5
55.01881	1.0
57.03435	1.2
58.00555	0.6
59.01378	54.6
61.98824	1.4
69.03442	0.8
71.01369	11.8
72.99306	1.6
73.02946	4.6
76.89555	0.6
79.95728	2.0
83.01391	3.7
85.02947	8.2
86.00096	0.7
87.00868	1.2
89.02427	2.4
93.03471	0.8
95.01351	1.2
96.95998	4.5
99.00856	3.2
101.02436	12.5
111.00871	1.4
113.02442	4.6
119.03435	0.7
135.04561	1.7
147.04514	0.9
159.03012	1.1
159.04362	0.6
161.04494	1.7
165.01793	0.7
179.03462	0.9
215.16435	1.3
224.08481	1.1
235.07718	1.0
240.07814	0.7
251.07082	1.9
252.07765	0.8
263.07104	1.3
264.07877	2.6
267.06610	2.7
268.07327	8.2
269.07825	0.7
279.06552	0.9
280.07190	3.0
283.09705	9.1
296.06842	1.4
308.06866	4.7
309.07578	2.8
312.06494	1.9
324.06277	3.4
327.08719	8.7
339.08722	7.2
357.09796	1.9
360.17776	0.6
377.21719	5.3
419.22818	4.2
420.22784	0.7
437.05481	28.5
437.23883	100.0
438.05859	3.9
438.24240	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	437.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
57.03446	1.7
59.01379	60.1
60.01687	1.1
61.98826	1.0
64.24072	0.7
68.01715	0.7
69.38160	3.2
69.38571	1.5
71.01006	1.2
71.01379	16.2
72.99274	1.6
73.02952	7.0
79.95737	2.7
83.01386	3.5
85.02947	8.8
87.00850	0.7
89.02457	4.4
95.01377	1.2
96.96007	6.8
97.02963	0.6
98.20734	0.7
99.00897	3.0
101.02445	13.4
111.00874	1.8
113.02453	8.0
115.00433	0.7
119.03528	0.9
121.02837	0.7
135.04492	1.3
137.02443	0.7
139.16364	0.6
145.02881	1.0
147.04547	1.2
149.25909	0.7
159.03000	1.2
159.34596	0.6
161.04526	2.1
161.16422	0.7
165.01811	0.8
166.70294	0.6
178.70882	0.7
179.03459	2.7
180.04216	1.1
180.63741	0.6
195.06567	1.3
215.16490	1.0
223.07410	0.8
224.08342	1.1
234.92703	0.6
235.07658	1.1
239.12740	0.7
251.07071	1.6
252.07942	0.9
263.07098	1.3
264.07886	2.7
265.05130	0.6
265.08572	1.0
267.06619	2.8
268.07367	12.7
269.07806	0.8
275.18521	0.7
279.06519	1.2
280.07535	3.9
283.09720	10.1
296.06915	1.1
305.15964	0.8
308.06912	5.2
309.07541	3.3
312.06503	2.1
324.06448	4.1
325.06790	0.8
327.08762	7.3
327.39890	0.7
339.08707	7.8
340.08777	0.9
357.09677	1.9
377.21863	6.1
378.22430	0.7
405.11853	0.9
419.22940	3.4
437.05463	35.6
437.23904	100.0
438.05841	4.0
438.24252	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	437.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14308	1.0
59.01381	11.3
61.21371	0.9
61.98832	9.5
64.91483	0.9
66.31628	1.1
68.72095	0.9
69.43987	7.7
71.01382	6.4
72.99315	1.3
75.00871	1.8
79.95742	2.0
85.02945	2.5
87.00875	1.8
89.02439	6.2
94.92485	5.2
96.96007	100.0
98.95627	1.9
101.02457	2.3
113.02438	2.5
116.92847	2.1
134.03708	1.8
135.04498	1.0
151.03975	1.2
177.01903	5.2
179.05618	1.9
185.02167	2.0
193.05022	1.8
215.03203	1.9
232.97629	3.9
240.94363	1.0
247.96352	3.0
274.98746	6.2
377.18274	1.4
399.17883	1.5
437.15735	32.4
438.16034	2.2
455.06281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	58.9
58.03773	1.4
59.01378	74.2
61.98816	1.8
71.01382	2.7
73.02948	2.1
75.50086	0.9
81.03453	49.6
82.03801	1.1
83.01379	13.6
83.05008	1.3
85.02950	1.6
89.02428	1.6
93.09454	0.8
95.05031	2.1
96.95983	1.6
97.02953	2.6
99.04518	2.8
101.02438	28.3
107.01471	0.8
109.02946	2.7
109.06554	3.0
111.04500	2.8
113.06084	100.0
114.06370	1.8
115.04012	9.7
120.98875	0.8
121.06588	1.9
122.03725	4.1
123.04517	1.3
124.05296	9.6
125.02370	1.7
125.06082	2.0
129.01949	1.3
129.83989	0.8
133.06560	5.9
134.03696	1.5
135.04497	1.9
136.05371	0.9
137.06058	3.7
139.04070	1.3
139.07642	69.5
140.07994	1.7
149.06035	2.4
149.09578	1.0
151.07625	2.1
157.10231	1.3
168.07916	3.2
169.08705	13.8
171.08185	1.1
175.06104	46.5
176.06448	1.5
180.19455	0.9
181.08687	16.7
187.11313	4.9
190.10033	1.0
205.12338	6.4
210.08997	1.1
211.09737	13.3
217.12271	1.6
222.49850	1.0
225.57617	1.1
226.71785	0.8
231.10130	1.1
235.13429	4.6
249.11212	1.6
253.10820	6.1
261.11234	2.6
279.12354	6.9
295.06021	1.6
296.06790	1.2
326.13541	3.5
335.20694	1.2
437.18820	2.2
437.24084	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.0
59.42009	0.3
61.98841	1.7
62.48293	0.3
69.40823	2.1
71.01370	1.3
78.95904	0.5
79.95731	2.5
85.02946	0.4
87.00848	0.3
89.02448	1.0
94.92520	1.0
96.96011	100.0
99.00879	0.4
101.02434	0.6
113.02443	0.5
119.03481	0.3
128.18999	0.4
133.02977	0.7
133.36539	0.3
134.03738	0.5
137.02441	0.4
149.06071	0.3
151.04045	0.5
161.04614	0.4
163.03931	0.4
177.01932	6.8
178.02510	0.4
193.05051	1.1
200.00903	0.5
201.72032	0.3
215.03227	0.9
221.06569	0.4
232.97694	2.9
247.96358	1.6
274.98724	5.4
303.33200	0.3
339.07144	0.7
340.27997	0.3
375.96954	0.3
377.01749	0.5
415.72818	0.3
437.03998	0.9
437.15967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33152	0.4
54.44489	0.4
55.01886	0.4
57.03453	0.5
59.01377	100.0
60.01698	0.7
61.98826	2.3
65.16062	0.4
65.99301	0.4
69.03460	1.9
70.96866	0.4
71.01383	5.1
71.15203	1.0
72.99300	0.4
73.02946	3.2
83.01397	0.8
83.83253	0.4
85.02957	1.7
89.02454	1.2
95.01381	0.5
96.36748	0.4
96.96014	0.6
97.02950	0.9
99.00899	0.7
101.02438	4.3
113.01754	0.4
113.02451	2.6
113.91659	0.3
119.03516	0.7
131.03546	0.5
134.03752	0.4
135.04591	0.4
149.04622	0.5
151.00478	0.5
161.04594	1.1
185.00931	1.4
199.09737	0.5
201.09128	0.5
224.80348	0.4
249.11227	0.5
287.22382	0.9
375.23672	0.5
381.09827	2.7
399.11069	1.2
410.11334	0.4
451.11658	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2748
Annotation	(-)-Salvisyriacolide
Peak:m/z	Relative Intensity
52.16512	0.9
57.03437	1.7
59.01384	6.2
61.98820	2.8
62.00112	1.0
64.68993	1.0
65.03954	2.3
69.03463	1.9
71.01381	1.3
71.55602	1.4
75.09785	1.3
79.05537	0.9
81.03449	1.4
83.05028	6.6
90.86642	0.9
93.02953	1.0
93.03448	5.5
95.05032	2.4
97.06590	4.9
105.07050	1.0
107.05035	1.3
109.06573	1.5
111.08148	3.8
119.04998	4.1
121.06601	1.2
123.08179	2.6
125.09711	15.2
127.11256	1.4
133.06590	2.1
135.08138	2.4
137.09743	2.1
149.09689	2.7
157.10153	1.4
159.85982	1.1
161.09694	1.1
163.11343	1.5
171.08806	2.2
171.10268	41.3
172.10654	1.3
193.12485	1.0
195.13725	1.0
203.14342	2.3
205.15967	1.6
207.10368	1.1
209.11803	7.8
211.13393	3.7
213.12860	2.3
215.14430	2.3
221.15408	1.3
225.14909	1.2
231.13850	7.6
233.15445	31.7
234.15703	1.6
245.15488	3.2
247.17012	18.3
249.14941	6.5
251.16422	3.6
263.16486	20.5
264.16946	1.5
277.18408	1.1
297.21017	1.6
313.25482	1.5
323.23776	1.4
331.26276	3.3
332.26465	1.1
341.24799	3.7
357.24469	1.3
359.26080	1.6
365.98907	1.1
367.22711	1.4
375.25366	3.6
385.23779	10.1
399.25208	2.4
403.24777	8.4
407.28003	2.8
416.18845	1.0
417.26440	100.0
418.26855	10.1
435.27475	50.7
436.09488	0.9
436.27988	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	435.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41835	0.1
52.03610	0.2
57.03446	8.8
57.57807	0.1
59.01378	9.8
59.03844	0.1
61.98830	1.2
69.03452	0.2
71.01373	2.4
71.04958	0.1
73.02946	1.0
75.00877	0.2
83.01398	0.4
85.02956	1.4
87.04520	0.8
89.02454	0.5
90.75340	0.1
96.95970	0.3
99.00863	0.3
99.87777	0.1
101.02435	2.1
103.04008	100.0
104.04348	1.6
108.17812	0.2
113.02455	1.0
113.09731	0.3
115.00371	0.2
145.12358	0.7
148.07050	0.1
149.04663	0.2
159.03014	0.2
161.04576	0.7
161.05746	0.1
175.81604	0.1
185.00978	0.2
199.09782	0.2
273.20749	0.3
289.16522	0.4
303.18192	0.5
307.17612	1.9
349.18689	0.8
363.28296	0.2
364.61990	0.2
367.49109	0.2
389.34995	0.2
435.22198	0.8
435.26306	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32690	0.2
51.37106	0.2
57.03445	9.4
59.01377	8.8
61.98830	0.8
69.40437	0.8
69.40849	0.5
71.01385	1.9
73.02943	0.8
83.01385	0.3
85.02958	1.2
87.00877	0.2
87.04511	2.3
89.02435	0.6
99.00878	0.3
101.02439	1.7
103.04007	100.0
104.04337	1.7
113.02440	0.9
145.12318	0.7
146.76617	0.2
147.67229	0.2
147.99539	0.2
158.45679	0.2
159.02898	0.2
161.04567	0.6
161.67813	0.2
197.84799	0.2
213.44331	0.2
217.31102	0.2
289.16647	0.4
307.17569	1.9
349.18637	0.6
360.97925	0.2
377.02200	0.2
384.72791	0.2
435.22034	0.6
435.26163	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2234
Annotation	HC-toxin
Peak:m/z	Relative Intensity
55.01870	1.5
57.03448	1.3
59.01379	79.7
60.01722	1.0
61.01807	0.6
61.98835	1.5
69.03499	0.7
70.47575	0.6
71.01379	16.6
71.55005	0.7
72.99319	1.3
73.02949	9.2
75.00864	0.8
76.23817	0.5
83.01382	4.1
85.02952	13.0
87.00883	1.6
88.98820	1.0
89.02454	3.5
95.01395	1.0
95.85879	0.6
96.96020	1.0
97.02928	1.1
99.00876	3.8
101.02440	18.1
111.00883	0.9
113.02455	7.3
115.00388	0.6
119.03558	1.0
122.78555	0.7
135.04550	0.8
139.11287	0.9
155.10796	0.6
159.03020	1.8
161.04581	3.7
165.01918	2.7
169.12404	0.6
171.10426	0.9
179.03488	1.0
180.04337	1.9
181.12366	0.9
183.10303	1.4
195.06665	1.8
199.09738	3.2
213.11324	0.6
220.41333	0.5
225.07782	1.3
226.60472	0.6
243.12311	5.5
243.14247	0.5
261.13437	2.0
319.17859	0.8
357.19135	5.6
393.17789	2.3
417.21228	4.9
435.22458	100.0
436.22812	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	435.2236
Annotation	HC-toxin
Peak:m/z	Relative Intensity
53.26889	0.9
55.01877	2.1
57.03440	2.6
58.00595	4.2
59.01379	100.0
60.01713	0.7
61.98830	11.7
69.41274	2.5
69.41691	3.0
71.01382	66.4
72.01733	1.4
72.99334	4.0
73.02944	23.2
75.00833	1.1
83.01376	4.1
85.02958	19.1
87.00887	2.7
89.02444	85.5
90.02781	1.0
95.01392	7.0
96.96027	1.2
98.20660	1.4
99.00880	90.6
100.01221	1.6
101.02442	31.3
112.42900	0.7
113.02448	44.6
119.03499	18.8
123.34581	0.7
125.02452	1.1
131.03499	16.4
134.82402	0.8
143.03490	6.8
148.79721	0.7
149.04556	42.5
152.62119	0.8
161.04549	23.3
179.05598	7.4
191.05602	47.1
192.05936	1.5
202.67592	0.7
233.06625	9.0
293.08676	1.9
303.18109	0.9
373.26065	0.8
435.22287	65.0
436.22562	6.1
453.79141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98824	11.3
69.75325	13.5
69.75736	13.5
71.01369	8.6
73.02931	7.0
73.81986	5.0
76.78898	4.2
81.40730	4.2
85.02969	4.6
98.20499	6.8
99.08087	4.3
112.21032	5.1
174.91739	4.0
256.96948	5.1
257.34113	5.1
279.04932	5.3
435.09006	7.7
435.26025	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	435.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.2
59.01104	3.6
59.01380	40.5
61.98830	100.0
63.87323	2.3
68.36737	2.5
69.03435	2.5
71.01385	10.7
71.55309	3.3
71.98225	2.4
85.02980	3.5
87.00867	4.6
89.02430	3.4
93.99665	2.4
97.02979	3.0
99.00890	2.9
101.02457	8.6
103.78976	2.3
113.02425	5.0
113.26584	2.6
117.98773	2.6
124.60914	2.4
125.09834	2.4
198.55606	2.3
199.09752	7.2
211.07733	4.0
247.23172	2.3
259.71378	2.4
359.05743	2.5
373.26025	4.6
381.09933	14.1
399.10983	5.7
435.20929	4.6
435.25760	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	435.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.2
55.19105	0.6
57.03429	0.6
59.01377	100.0
60.01719	1.0
61.98854	0.8
69.35300	0.7
69.40967	5.1
71.01382	4.4
73.02945	0.6
75.00867	1.1
77.73996	0.8
81.96606	0.6
85.02965	1.6
89.02434	2.4
93.50736	0.7
95.01410	0.9
98.19832	1.1
101.02433	3.2
106.15076	0.7
109.06632	0.8
113.02437	5.4
119.03506	2.5
135.08177	6.0
137.09715	53.6
138.10088	2.8
161.04561	1.4
181.08833	0.9
195.10210	0.7
213.11308	59.7
214.11702	2.7
221.06616	0.7
227.12965	1.5
255.12474	2.7
383.08694	0.8
424.24338	0.7
435.09430	1.3
459.56662	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	23.1
60.01720	2.5
61.01797	0.6
61.98830	100.0
69.40796	2.8
71.01377	2.4
73.02946	1.1
74.89487	0.3
77.90215	0.3
83.01385	0.4
85.02975	0.4
86.91548	0.4
89.02433	0.7
101.02442	1.5
102.02837	0.4
108.89693	0.3
113.02427	0.7
151.00417	0.4
166.03337	0.6
184.04352	0.4
194.08792	0.4
255.85651	0.4
272.06305	0.7
392.19580	0.5
434.11337	0.5
434.21149	6.8
435.21774	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00570	2.1
59.01370	4.0
63.83527	0.9
70.45083	2.0
70.45450	2.0
71.01386	3.5
73.02940	1.3
78.95905	1.4
79.95683	1.2
84.46073	0.9
85.02940	1.3
87.00868	5.5
89.02447	1.2
92.92797	4.3
96.96014	34.4
96.96973	2.8
98.08144	0.8
101.02450	2.1
113.02413	2.6
121.02935	3.0
127.52708	0.9
135.04431	1.1
145.02963	2.9
149.01279	1.9
149.02434	33.7
150.03229	41.6
151.03612	0.9
161.02420	3.4
161.04561	5.8
162.03206	3.6
164.04788	17.9
165.05562	100.0
166.05858	3.0
169.40733	0.9
177.05527	1.8
180.04231	4.8
195.04810	1.7
195.06622	33.5
196.06931	1.3
198.10872	1.0
220.72734	0.9
296.93625	0.9
309.64417	1.1
327.10867	28.4
328.11307	1.2
332.47153	1.0
339.02081	1.0
348.37994	1.0
354.04077	1.0
356.30493	1.0
357.11795	1.5
381.24774	1.0
446.64536	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	33.7
60.01719	2.7
61.01802	0.6
61.98830	100.0
71.01381	3.4
71.55747	0.7
73.02945	1.2
81.95065	0.4
83.01402	0.6
85.02960	1.8
89.02451	1.2
93.03466	0.7
96.95998	0.5
99.00888	0.7
100.57788	0.4
101.02433	2.8
102.02781	0.4
110.51920	0.4
113.02444	1.1
161.04584	0.4
181.47137	0.4
183.10220	0.9
198.12331	0.5
237.09297	0.7
243.12262	2.0
265.12827	0.4
405.55606	0.4
417.21094	0.5
434.20953	2.5
435.22220	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	434.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.56676	0.5
60.01713	10.9
61.01804	1.5
61.98829	88.7
71.01379	6.9
73.02946	1.7
83.01379	0.6
85.02947	2.5
89.02444	2.5
90.02811	0.6
99.00920	0.6
101.02445	3.4
102.02706	0.6
113.02409	1.9
119.03483	1.2
161.04492	2.6
162.04886	0.6
196.79483	0.6
199.09665	0.9
225.60904	0.6
229.35982	0.7
337.29291	0.6
374.22458	1.9
375.15958	0.7
434.20486	2.7
435.22101	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	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44135	0.3
59.01377	100.0
60.01711	1.0
61.98834	1.3
71.01381	4.2
71.31705	0.7
73.02946	1.8
83.01386	0.5
85.02970	1.2
85.92179	0.4
89.02440	2.6
99.00985	0.4
101.02438	3.2
113.02437	1.9
119.03518	1.1
161.04616	1.0
197.11826	0.9
201.22858	0.4
209.11862	0.5
211.13516	0.6
237.09116	0.6
271.02652	0.5
331.17798	1.1
373.18701	1.4
391.19714	0.9
433.20593	5.9
434.21420	1.1
455.28134	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
56.43894	0.3
58.29569	0.3
59.01379	100.0
60.01712	1.2
61.98833	1.3
70.99674	0.6
71.01382	5.4
73.02961	1.7
83.01423	0.6
85.02962	2.4
89.02454	1.1
95.01399	0.4
99.00908	0.5
101.02437	3.9
113.02462	2.5
119.03525	0.7
120.48013	0.3
122.92061	0.3
143.03503	0.6
159.03008	0.5
161.04567	4.4
271.02591	0.5
300.02887	0.4
301.03488	0.4
373.22260	5.2
374.22726	0.4
393.66806	0.4
433.24655	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	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39121	6.5
59.01107	8.1
59.01380	100.0
61.98814	11.4
68.88664	7.1
71.01371	48.4
73.02940	19.4
79.39835	6.5
85.02949	16.7
89.02443	35.1
98.20667	15.0
99.00885	6.9
101.02437	26.7
103.98064	6.7
113.02412	20.1
119.03505	13.8
119.04967	16.2
133.01399	24.9
143.11662	6.7
149.41310	7.5
161.04504	15.3
167.10757	11.5
253.14302	9.5
275.89697	7.3
317.15009	18.8
373.14740	8.8
385.87509	7.0
413.99841	7.1
433.20508	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.171
Annotation	Lonchocarpic acid
Peak:m/z	Relative Intensity
55.01860	2.3
57.03442	1.4
59.01378	100.0
61.98830	5.9
69.03442	2.0
71.01009	2.3
71.01382	44.8
71.26224	2.7
72.01716	1.7
72.99291	2.2
73.02946	12.9
75.00867	2.3
79.56281	1.2
83.01385	5.9
85.02950	21.3
87.00878	1.9
88.98804	3.0
89.02446	18.5
94.49384	1.0
95.01395	3.0
96.96004	14.6
97.02974	2.0
99.00861	6.9
101.02438	25.5
102.02809	1.3
113.02448	19.6
119.03503	4.3
123.03246	4.6
123.04083	1.2
124.03598	2.1
125.02448	2.8
126.02743	1.4
131.03535	1.2
135.04440	1.7
138.05600	35.5
139.04927	1.8
139.05952	23.8
142.52135	1.3
143.03491	3.7
159.02937	4.4
160.02608	2.1
161.04543	42.0
181.08684	23.3
209.21756	1.2
293.08786	1.6
294.08932	1.3
301.06750	1.3
329.15979	2.0
335.39877	1.3
343.13907	3.5
373.14999	65.9
374.15323	4.3
397.16953	2.5
417.13931	5.1
433.15659	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	433.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33508	0.6
59.01377	100.0
60.01712	1.0
61.98826	11.1
63.99240	1.7
68.16356	0.7
69.24146	6.4
71.01379	10.2
72.99314	1.6
73.02964	2.7
73.17207	0.8
78.84413	0.7
82.95441	0.8
83.01395	1.3
85.02946	2.3
87.00863	0.9
89.02438	5.9
89.79254	0.8
96.95999	7.0
98.20596	1.4
98.95600	1.3
99.00880	1.1
101.02431	6.3
113.02422	5.1
115.92113	1.0
116.92859	1.1
119.03535	1.4
119.05074	0.9
122.03745	0.8
131.03502	1.0
138.02003	1.0
139.07651	1.2
149.02463	0.6
149.56403	0.7
152.07196	3.1
153.05644	0.8
161.04568	6.7
165.05597	0.7
167.10814	2.0
172.09854	1.1
179.05714	1.5
181.05119	2.4
196.07468	2.6
211.09727	10.0
217.05048	1.2
233.06665	0.8
235.05934	0.7
238.99155	0.6
330.60925	0.7
338.59259	0.9
373.14938	4.1
373.19086	0.7
397.11249	0.9
433.21234	3.5
434.19632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78580	0.3
59.01102	0.5
59.01379	5.8
61.98830	100.0
64.38553	0.3
71.01385	1.8
71.55089	0.6
73.02969	0.5
75.85239	0.3
87.96035	0.4
89.02436	0.9
96.96049	0.3
101.35667	0.4
102.21378	0.3
104.03532	0.8
107.82642	0.4
113.02470	0.4
115.00326	0.4
133.01450	1.4
197.11813	0.9
268.03723	0.9
269.04224	1.4
270.04904	0.5
327.21954	0.5
389.25342	0.4
390.25974	0.4
432.10342	1.0
433.24402	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32360	1.1
59.01384	18.7
61.98833	100.0
63.82790	1.1
69.62408	5.5
70.20763	0.9
78.95914	1.1
82.56819	1.2
96.96033	6.5
98.19898	1.8
99.92587	1.2
115.17568	0.9
116.92853	2.1
170.82841	1.0
182.62419	1.0
267.07541	1.0
353.02292	1.2
382.21515	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85903	2.6
59.01380	39.0
61.98803	4.0
69.43018	14.3
69.43428	5.2
71.01382	26.3
72.99321	3.5
73.02934	8.5
85.02948	10.6
89.02445	15.9
95.01347	3.2
96.96008	46.3
99.00877	4.4
101.02437	20.6
113.02422	11.7
114.80249	3.2
119.03578	3.6
125.02457	3.2
135.04552	3.7
138.05583	6.5
161.02451	3.4
161.04495	15.6
162.68015	2.7
178.02512	2.7
179.05557	3.3
181.08675	6.9
184.96858	3.3
195.51546	2.8
197.06235	2.7
221.84467	2.9
246.86794	2.9
259.74170	2.6
265.12860	13.0
265.77457	3.0
293.08890	3.1
372.99490	3.1
373.14948	6.8
397.17136	100.0
398.17542	9.3
433.14777	88.0
434.15192	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	432.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94736	0.3
59.01377	36.7
60.01712	1.3
61.01794	0.5
61.98827	100.0
68.96088	0.3
69.66041	0.9
69.66454	0.9
71.01382	3.4
72.99355	0.3
73.02939	0.8
85.02966	1.0
89.02436	1.6
92.53175	0.3
101.02433	1.6
102.02088	0.3
113.02444	0.8
119.03503	1.2
119.67047	0.3
161.04572	1.0
179.05646	0.6
180.71329	0.3
181.53172	0.3
186.42975	0.4
373.18552	0.3
398.64554	0.3
433.24356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
59.01377	12.4
60.99303	0.3
61.98827	3.8
67.39064	0.3
68.01389	0.4
69.03452	0.8
71.01382	10.7
71.54597	0.3
71.54973	0.6
72.34678	0.3
72.99309	0.6
73.02946	2.5
75.00896	0.9
81.03461	0.4
83.01391	1.1
85.02959	2.1
86.02445	0.4
87.00861	0.9
87.70719	0.3
88.98797	1.5
89.02439	11.5
95.01398	0.4
96.96007	3.8
97.02972	1.1
99.00880	3.5
101.02438	4.6
105.59972	0.3
106.41428	0.3
108.08270	0.3
113.02454	3.0
115.04019	1.0
118.98065	0.5
119.03476	0.4
122.02443	0.4
123.03265	7.9
124.07650	0.3
125.02453	4.7
131.03477	1.8
135.04539	0.4
137.02452	0.5
138.05603	100.0
139.05952	3.2
140.07188	0.6
143.03531	0.9
149.04562	2.5
150.90535	0.4
152.07170	0.6
159.03017	0.6
161.04576	2.6
165.04268	0.5
168.06555	0.4
180.06615	2.0
181.08658	1.6
191.05603	1.4
205.14662	0.3
233.06613	4.9
235.06186	0.4
293.08749	5.5
300.10913	1.3
302.16165	0.3
373.14972	4.4
397.17313	0.4
432.15100	22.7
433.15585	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
57.03450	1.0
59.01378	100.0
60.01723	0.9
70.37412	0.4
71.01380	9.8
73.02943	2.7
82.55393	0.7
83.01405	1.3
85.02942	3.8
89.02441	3.9
95.01397	0.9
95.42812	0.5
99.00864	0.9
101.02434	7.0
113.02430	4.3
117.03490	0.7
119.03510	1.8
143.03560	0.9
151.00426	0.8
159.03024	0.9
161.04556	8.8
179.05655	1.3
195.04561	0.7
209.15492	1.7
230.18791	0.7
239.03471	1.0
240.04306	1.6
268.03751	30.3
269.04510	7.7
273.07657	0.5
278.84186	0.5
301.17810	0.6
371.20761	6.3
431.09811	20.7
431.22925	1.1
432.10220	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.4
59.01379	39.7
59.40687	0.8
61.98829	4.4
64.64120	0.8
64.72354	0.8
69.35230	7.2
71.01391	1.5
71.05019	1.6
72.99339	0.8
83.05018	2.9
85.02934	1.6
90.30690	0.9
95.05029	1.9
97.06550	1.3
99.08145	11.4
101.06063	5.4
109.06563	1.1
111.08163	1.1
123.08173	1.7
125.09756	5.0
137.09727	1.2
139.11224	1.2
141.09219	1.5
150.43690	0.8
151.11246	1.7
153.12860	1.6
163.11314	1.2
165.11414	1.4
165.12830	28.2
166.12997	0.9
169.12273	0.9
181.12331	11.3
183.13901	5.9
186.58708	0.9
227.12920	2.8
245.13976	3.0
251.32005	0.8
268.03674	2.3
274.83865	0.9
327.21735	29.5
328.22061	2.3
345.22791	100.0
346.23026	6.9
387.23846	73.7
388.24133	5.5
431.09659	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	432.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15665	0.2
56.62691	0.2
58.00578	0.2
59.01375	8.1
60.01734	0.3
60.65981	0.2
61.98830	0.5
68.01420	0.5
68.63409	0.2
69.03453	0.5
69.92278	0.7
71.01380	7.5
71.01778	0.4
72.65795	0.2
72.99291	0.3
73.02944	1.6
74.35953	0.1
75.00877	0.3
77.00881	0.2
81.03477	0.3
83.01389	0.5
85.02946	1.2
85.06608	0.5
87.00867	0.4
89.02441	10.6
90.02779	0.2
95.01411	0.3
95.05025	0.3
96.96010	0.8
97.02921	1.0
98.19990	0.3
99.00874	3.0
101.02434	2.6
108.02171	0.7
108.08186	0.3
111.00792	0.3
113.02457	1.6
115.04004	0.5
119.03481	0.4
119.05129	0.2
122.02479	0.4
123.03262	9.5
124.07690	0.5
125.02445	4.1
127.04018	0.2
131.03506	1.8
131.06241	0.2
131.07164	2.0
137.04820	0.3
138.02010	6.2
138.05605	100.0
139.05962	3.2
140.07156	0.6
141.01947	0.2
143.03438	0.5
149.04556	2.2
152.07173	0.5
154.08743	0.3
161.04594	0.9
162.66298	0.2
168.06731	0.3
168.13455	0.2
173.04576	0.2
180.06650	2.0
191.05611	1.7
195.06653	0.4
196.07050	0.3
210.07733	0.6
233.06645	4.7
234.06950	0.3
293.08765	4.8
294.09229	0.3
300.10913	1.2
305.28976	0.2
313.14313	0.2
362.64658	0.2
414.14166	0.2
432.15082	23.5
433.15430	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01713	0.7
61.24924	0.4
64.95675	0.4
68.59460	0.4
69.63136	2.0
69.63538	0.8
71.01382	4.6
73.02952	1.0
85.02957	1.3
86.68932	0.4
89.02431	3.9
89.62184	0.4
95.01387	0.5
98.20645	0.6
101.02456	2.3
108.09859	0.4
113.02467	1.9
119.03494	2.2
161.04567	1.7
179.05597	1.2
198.17793	0.4
256.79355	0.4
259.44244	0.5
371.20801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
57.03444	0.6
59.01378	100.0
59.80447	0.4
60.01727	0.8
61.98862	0.4
71.01380	6.2
73.02947	2.0
83.01393	0.8
85.02940	1.8
87.00893	0.5
89.02447	3.7
96.96010	0.5
99.00909	0.6
101.02440	4.8
113.02444	3.1
119.03525	1.3
149.04546	0.4
151.00418	0.4
159.03035	0.6
161.04552	5.4
165.12881	0.8
179.05647	1.3
191.14488	0.3
207.14046	0.4
209.15541	1.0
225.15218	0.3
228.63692	0.4
268.03754	8.5
268.06601	0.5
269.04483	2.5
269.14023	1.3
284.03214	3.5
285.04086	1.8
293.17593	0.5
325.57559	0.4
371.20749	4.1
372.20953	0.4
431.09802	9.3
431.22794	4.8
432.10425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04131	0.2
57.03448	0.3
59.01378	100.0
60.01721	0.6
61.34347	0.2
61.98834	0.5
63.36081	0.2
66.61974	0.2
68.12702	0.2
68.59914	0.2
69.83323	0.4
69.83725	0.9
71.01379	6.0
72.99319	0.3
73.02965	1.2
83.01419	0.6
85.02949	1.5
87.00900	0.4
88.98832	0.2
89.02444	6.2
91.41615	0.2
95.01427	0.2
96.96012	0.3
99.00887	0.4
101.02432	4.0
113.02451	2.9
119.03510	2.9
122.99350	0.2
131.03532	0.5
133.24722	0.2
143.03418	0.4
146.02119	0.2
159.03026	0.4
159.27379	0.2
159.84525	0.2
161.04559	2.3
179.04005	0.4
179.05627	2.7
194.05888	0.2
209.08217	0.4
341.76578	0.2
371.20728	1.4
383.00739	0.2
389.21732	0.3
393.17719	0.3
431.23001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36850	0.7
51.59420	0.6
57.03451	1.3
58.00603	1.0
59.01379	100.0
60.01720	4.8
61.01808	4.4
61.98836	7.3
62.43463	0.7
65.15665	0.7
69.03465	1.7
69.37748	6.2
71.01382	14.3
73.02937	3.7
74.99092	2.0
83.01391	1.7
85.02938	4.1
87.81456	0.9
88.98811	2.4
89.02447	11.2
96.95988	1.8
97.06578	1.2
99.00895	1.9
101.02451	8.4
113.02444	4.8
119.03503	2.8
122.03783	1.2
128.72636	0.7
131.03462	1.3
135.04520	1.2
136.99159	1.8
143.03537	1.2
149.04460	1.1
161.04561	4.4
165.00169	4.9
165.09151	3.1
166.00955	8.1
167.01631	0.9
169.44614	0.7
171.03842	0.9
179.05551	1.0
181.03268	7.6
205.12309	2.8
209.08136	2.8
209.11823	1.0
220.08842	0.8
225.14999	0.8
227.15533	1.1
269.04761	1.7
276.81299	0.9
283.06201	1.6
283.46710	0.9
311.05551	2.5
343.08484	5.7
371.16879	2.1
393.17776	9.2
431.09882	2.3
431.14896	4.4
431.19302	3.2
431.31326	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98828	47.5
69.03450	11.4
69.37159	21.9
70.03774	3.5
71.01391	14.9
73.02940	6.5
85.02968	7.0
89.02448	9.6
92.08013	2.6
97.02956	2.6
98.19871	4.9
101.02418	10.4
113.02486	3.8
161.04527	7.6
179.05586	3.5
185.00922	6.5
186.01334	3.6
230.66292	2.6
263.14938	7.0
298.64667	2.9
395.19211	39.5
431.16998	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29682	0.4
53.58691	0.4
60.99006	0.7
60.99306	13.5
70.64455	1.4
79.91190	0.5
84.69530	0.4
88.98804	100.0
89.02440	1.5
89.99116	1.0
102.57693	0.4
104.83492	0.4
107.66916	0.5
264.06949	0.6
371.06931	0.5
419.50070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.098
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
55.48536	0.2
58.93995	0.2
59.01378	6.4
61.98827	1.0
63.02403	1.0
65.00042	0.2
65.00325	0.8
65.28086	0.2
67.98318	0.2
68.84632	0.2
69.22058	1.7
71.01379	0.9
73.02940	0.4
77.26939	0.2
83.01378	0.9
83.01859	0.2
85.02940	0.3
89.02456	0.4
101.02438	0.8
107.01385	1.9
113.02422	0.3
117.03426	1.9
121.02923	0.3
123.00909	0.2
127.87735	0.1
134.36411	0.2
146.02281	0.2
147.00912	0.2
148.01666	0.6
149.02464	1.4
149.99562	0.5
151.00369	3.5
156.05733	0.3
158.03758	0.2
159.04486	0.3
161.04517	0.3
167.05037	0.2
168.05823	0.2
171.04492	0.7
172.05298	0.8
180.05826	0.2
183.04475	0.4
184.05302	0.5
195.04436	0.5
196.05292	0.6
199.03918	0.2
200.04716	0.7
201.05495	0.2
211.03975	1.7
212.04811	0.8
215.06989	0.2
224.04840	0.3
225.05556	0.5
239.03452	3.4
240.04251	4.4
241.04683	0.2
263.15036	0.5
267.02917	1.6
268.03745	100.0
269.04456	28.4
270.04828	1.3
282.05319	0.2
283.06049	0.6
311.05704	0.6
351.73239	0.2
374.83145	0.2
395.19199	3.4
396.19693	0.2
431.09793	79.6
432.10135	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	430.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88501	0.3
59.01374	4.7
60.50531	0.3
61.98827	100.0
71.01378	0.9
71.32061	0.5
81.61034	0.3
97.02956	0.3
101.02442	0.6
101.25608	0.3
165.10873	0.3
165.64183	0.3
179.03494	0.4
194.05809	0.4
194.36250	0.3
209.08165	1.1
297.34021	0.3
431.15872	0.4
451.27139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.9
61.98832	100.0
68.95065	1.2
70.04008	5.8
71.75961	1.2
72.31286	1.1
79.95728	2.0
81.33089	1.2
96.96011	97.0
99.92593	10.7
106.74912	1.2
111.24677	1.3
115.92044	2.0
118.89995	5.8
134.89487	3.1
135.90251	1.6
142.38013	1.2
231.52693	1.4
233.95377	1.3
236.16376	1.3
268.03781	3.8
323.05841	2.5
337.81677	1.2
341.02499	1.7
381.52023	1.3
394.14447	5.3
412.87347	1.3
430.12103	2.9
431.09839	3.7
431.31863	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	429.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01704	0.9
61.98836	2.1
64.90720	0.5
65.02887	0.4
71.55548	0.7
82.33329	0.5
87.00874	0.6
89.02447	0.6
91.04017	2.6
96.96009	22.4
97.79983	0.5
98.95589	2.9
99.92602	0.9
100.92633	0.5
102.76720	0.4
112.29566	0.5
120.89760	0.4
142.18393	0.5
183.14087	0.5
185.79971	0.5
195.13902	1.1
216.36115	0.5
277.21722	1.2
295.22781	12.9
295.25897	0.9
296.23184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.8
61.98828	100.0
70.44128	0.2
71.01391	0.8
71.49970	0.4
88.98827	0.3
89.02434	0.3
90.64683	0.2
96.96011	2.4
99.00916	0.2
101.02425	0.4
108.04537	2.2
128.79407	0.2
134.01917	0.2
134.03769	0.8
135.04137	0.7
136.04051	1.0
137.02487	0.3
178.02713	0.5
178.68988	0.2
179.03149	0.3
193.05022	1.6
194.05353	1.5
251.75835	0.2
252.72281	0.2
430.14063	0.7
431.15106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11161	0.3
58.78245	0.3
59.01385	1.5
59.73199	0.3
61.98831	100.0
69.73235	1.7
71.01394	0.8
74.22523	0.3
88.98830	0.7
91.78101	0.3
96.96036	1.0
101.02466	0.5
106.77769	0.4
113.02484	0.4
118.89088	0.3
128.52406	0.4
137.02415	0.4
151.79161	0.4
189.00708	0.3
263.09818	0.4
431.15396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10492	0.3
53.38775	0.3
54.21290	0.3
55.81149	0.3
57.92329	0.3
59.01378	100.0
60.01707	1.1
61.98841	0.7
62.75426	0.3
71.01385	0.4
71.54720	0.4
71.55113	0.3
71.76373	0.3
84.73445	0.3
91.04024	2.1
96.96040	0.9
134.63329	0.3
195.13876	1.4
277.21909	0.8
295.22778	12.1
296.23270	1.1
306.79340	0.3
353.68100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97265	0.8
59.01381	100.0
61.98824	3.8
70.49824	0.9
71.01416	0.9
75.25563	0.9
80.22635	0.9
89.42999	0.8
96.96017	11.5
98.95531	1.2
101.34959	0.9
109.99725	0.9
112.81568	0.8
148.64078	0.8
156.72591	1.0
167.47145	1.0
228.67859	0.9
429.30380	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47603	1.4
57.03432	3.3
59.01379	100.0
61.98828	24.0
69.03442	2.7
71.01382	17.0
71.12705	1.6
71.67908	1.8
72.99313	8.0
73.02931	4.1
80.96553	1.4
81.03449	2.3
83.05016	2.6
85.02949	6.6
87.00879	2.3
89.02447	7.8
95.22952	1.8
97.06578	7.2
99.00880	2.2
101.02450	10.3
101.06119	2.5
113.02411	2.2
115.00402	2.6
119.03475	5.4
125.09689	3.2
135.01204	8.5
135.02969	6.9
143.03395	1.6
159.06735	2.1
161.04480	2.5
165.09221	2.2
165.12860	11.8
181.12315	5.6
183.13947	3.3
207.13885	6.5
211.13319	2.1
225.14957	6.1
227.12828	4.2
267.16013	2.3
275.09122	2.6
284.03229	2.4
285.04004	2.8
325.20245	17.6
343.21225	56.6
344.21558	5.4
385.22253	40.0
386.22565	3.5
429.08075	3.5
429.21057	7.5
446.17422	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44093	0.3
57.03426	0.3
57.86504	0.3
59.01378	100.0
60.01703	1.0
60.01971	0.3
61.36064	0.2
65.12981	0.2
69.03463	0.6
70.33426	0.2
70.54544	0.3
70.54885	0.5
71.01386	3.9
71.05035	0.5
73.02942	1.7
83.01427	0.4
85.02953	1.3
86.20156	0.2
86.62373	0.3
89.02456	1.2
95.01399	0.7
99.00900	0.6
101.02455	1.9
111.04539	0.3
113.02439	3.0
119.03523	0.3
135.04533	0.4
138.06876	2.9
153.09212	9.2
161.04515	1.4
163.06195	0.5
207.13962	0.9
225.14944	12.9
226.15317	0.5
369.19150	3.9
369.23529	0.3
370.19489	0.3
387.20392	1.0
393.17554	0.5
429.21210	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01718	1.1
60.32339	0.5
69.03453	1.3
69.50557	2.3
69.50957	0.9
71.01378	11.4
72.99294	0.6
73.02937	1.1
85.02966	2.0
87.00857	0.6
89.02440	17.4
95.01371	0.7
99.00938	0.5
101.02447	6.7
113.02435	4.2
118.66878	0.4
118.93315	0.5
119.03497	7.1
131.03558	0.8
134.03755	1.4
135.04150	0.9
137.09697	2.8
143.03531	1.7
161.04596	2.1
172.57663	0.5
177.79744	0.5
179.05615	4.7
185.00922	1.2
187.79187	0.5
255.39200	0.5
311.11292	0.4
313.12268	0.8
431.15323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35287	0.1
59.01388	0.7
60.03061	0.1
69.17217	0.1
70.25330	0.6
71.01382	0.2
82.86095	0.1
99.92581	5.9
100.92675	0.3
100.93365	4.7
101.93320	0.2
113.92598	0.2
115.79775	0.2
115.92081	100.0
116.92085	4.5
116.92865	6.2
117.92501	0.3
130.94391	0.2
132.92340	1.0
141.74408	0.2
142.94435	0.2
155.95253	0.2
172.95464	4.5
188.69249	0.1
255.23314	0.7
257.27548	0.1
271.58881	0.2
355.15704	0.6
371.15372	0.3
381.17230	0.9
411.18332	0.3
429.19482	6.3
430.19791	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77058	0.3
59.01377	100.0
60.01715	1.0
69.03453	0.7
69.79126	1.5
71.01392	1.4
73.02950	1.0
85.02938	0.3
97.02963	0.4
98.20671	0.3
101.02454	0.9
113.02452	0.4
122.02522	0.4
141.01988	0.5
149.20419	0.3
161.04521	0.6
163.11316	0.5
170.93944	0.3
180.81403	0.3
185.00945	0.7
189.12880	0.5
207.10300	0.8
207.14001	0.5
243.12292	0.6
253.79494	0.3
311.74469	0.3
340.74582	0.3
387.16714	0.5
429.18005	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	429.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03453	1.2
58.00595	0.8
59.01381	100.0
60.01714	1.1
61.98835	1.9
69.03461	6.3
71.01384	14.5
72.99310	1.0
73.02946	10.3
78.95905	1.6
83.01401	1.5
85.02964	5.9
87.00895	1.4
89.02441	5.5
93.03466	2.1
95.01370	2.6
96.96014	3.3
97.02948	5.4
99.00877	2.6
101.02439	8.5
110.98560	1.3
113.02449	8.0
113.03159	0.7
115.00357	1.2
119.03531	1.8
122.02538	1.1
125.02466	0.6
128.11621	0.4
131.03526	1.0
134.03763	1.0
135.02769	1.8
137.02431	0.9
137.09717	0.8
139.11273	2.7
141.01935	3.6
143.03561	0.7
149.04604	0.7
149.06126	0.5
149.26924	0.5
159.02980	0.5
161.04599	1.7
163.11263	4.6
167.01239	0.7
171.10313	1.6
179.01793	1.3
181.12398	1.5
183.10211	2.7
185.00908	7.1
185.02255	0.6
185.11897	0.7
189.12862	0.9
191.05542	0.6
193.05099	1.9
199.13445	0.9
203.02039	1.7
206.11758	0.5
207.10265	10.4
207.12128	0.8
207.13960	1.4
215.12903	0.9
225.11279	3.1
243.12364	6.5
261.13635	0.8
265.68604	0.5
266.90829	0.6
269.12741	0.5
303.23148	0.5
369.15540	8.5
387.16586	8.0
391.16089	0.8
393.17642	4.8
411.14163	6.7
429.17844	46.7
430.18256	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	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
58.00590	0.9
59.01380	100.0
60.01712	0.9
61.98822	1.0
62.55319	0.6
68.83239	0.6
69.65622	3.4
70.93441	0.6
71.01384	16.6
71.05000	1.0
72.99338	1.3
73.02949	2.0
82.01530	0.6
83.01392	2.7
85.02971	3.8
87.00871	5.5
87.82483	0.7
89.02446	17.4
95.01412	1.1
97.06590	5.1
97.94801	0.6
98.20617	1.3
101.02431	8.1
107.05033	11.0
107.05720	1.0
113.02451	7.3
119.03497	5.1
120.05792	2.3
120.99664	14.8
121.02976	0.7
125.02438	0.7
131.03491	1.0
134.03745	1.2
135.04530	2.6
135.08157	0.8
141.05592	0.8
141.73169	0.7
143.03482	1.2
149.04614	0.8
159.08131	1.0
161.04596	2.4
161.09737	10.2
161.13358	2.6
163.11305	1.5
179.05641	2.4
187.11295	11.0
188.11691	0.9
189.09193	4.2
203.10817	2.1
205.12344	5.0
207.10294	3.5
223.13391	52.0
224.13725	3.8
229.12373	1.1
231.10393	0.8
231.32861	0.7
249.11319	7.0
267.12366	68.9
268.12646	3.7
291.12573	1.3
309.13434	2.0
339.14490	0.7
401.18643	0.7
429.17386	10.7
430.17996	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03453	1.2
58.00595	0.8
59.01381	100.0
60.01714	1.1
61.98835	1.9
69.03461	6.3
71.01384	14.5
72.99310	1.0
73.02946	10.3
78.95905	1.6
83.01401	1.5
85.02964	5.9
87.00895	1.4
89.02441	5.5
93.03466	2.1
95.01370	2.6
96.96014	3.3
97.02948	5.4
99.00877	2.6
101.02439	8.5
110.98560	1.3
113.02449	8.0
113.03159	0.7
115.00357	1.2
119.03531	1.8
122.02538	1.1
125.02466	0.6
128.11621	0.4
131.03526	1.0
134.03763	1.0
135.02769	1.8
137.02431	0.9
137.09717	0.8
139.11273	2.7
141.01935	3.6
143.03561	0.7
149.04604	0.7
149.06126	0.5
149.26924	0.5
159.02980	0.5
161.04599	1.7
163.11263	4.6
167.01239	0.7
171.10313	1.6
179.01793	1.3
181.12398	1.5
183.10211	2.7
185.00908	7.1
185.02255	0.6
185.11897	0.7
189.12862	0.9
191.05542	0.6
193.05099	1.9
199.13445	0.9
203.02039	1.7
206.11758	0.5
207.10265	10.4
207.12128	0.8
207.13960	1.4
215.12903	0.9
225.11279	3.1
243.12364	6.5
261.13635	0.8
265.68604	0.5
266.90829	0.6
269.12741	0.5
303.23148	0.5
369.15540	8.5
387.16586	8.0
391.16089	0.8
393.17642	4.8
411.14163	6.7
429.17844	46.7
430.18256	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	429.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00460	4.6
58.28277	4.2
59.01380	31.6
65.18770	3.9
71.01370	12.2
73.02949	14.1
76.15968	4.3
83.01385	4.5
85.02938	5.4
89.02448	7.8
98.20637	14.6
101.02435	12.2
113.02438	6.1
151.50261	4.7
163.11342	7.3
177.01924	15.0
192.04236	12.1
207.06618	19.2
261.13406	15.9
262.96176	4.9
393.17639	58.9
429.15210	100.0
430.15564	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	429.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.1
61.98826	0.4
69.75102	0.8
69.75522	0.4
71.01366	0.3
78.00075	0.2
78.95883	0.2
79.95747	1.6
94.60468	0.2
96.38391	0.2
96.96006	100.0
97.95949	0.4
99.67201	0.2
99.92583	1.3
100.92584	0.5
115.92076	0.6
116.92866	0.4
118.89960	0.6
119.89986	0.3
121.81110	0.2
123.21834	0.2
128.24821	0.2
134.04752	0.2
134.89461	0.5
135.89404	0.3
142.63455	0.3
164.79935	0.2
196.89761	0.2
291.80350	0.3
306.05023	0.3
323.05927	0.3
324.05927	0.3
349.85324	0.3
393.13248	0.7
429.15921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.6
57.03443	1.2
59.01377	54.4
60.01719	1.7
61.98828	1.3
67.14933	0.8
69.03453	100.0
69.16769	6.8
69.17186	2.5
70.03773	1.3
71.01386	9.1
72.99293	1.9
73.02930	2.2
79.01895	5.9
83.01387	1.6
85.02943	3.9
85.03436	0.8
87.00862	2.0
89.02448	6.3
95.01398	3.2
96.96024	2.5
97.02947	17.8
99.00878	28.0
101.02464	4.2
107.05029	2.6
109.02934	1.6
113.02429	3.3
113.67040	0.8
115.00387	1.6
119.03500	2.6
122.59835	0.9
123.00900	1.2
134.03740	4.5
135.04086	1.8
136.01576	1.0
136.04309	0.8
139.11290	2.6
141.01941	11.2
161.04510	1.3
161.09682	3.3
183.10228	3.7
185.00905	89.8
186.01212	3.1
187.11295	3.2
189.09290	1.5
196.67183	0.8
199.13490	0.9
205.12285	2.0
207.10216	1.4
213.98227	0.8
223.13377	15.2
224.79062	1.0
243.12331	14.4
246.75093	0.9
249.11272	1.7
267.12366	21.9
297.13245	1.6
309.13516	1.2
313.11880	3.3
429.13577	15.5
430.14371	1.1
442.15350	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65488	0.3
58.40202	0.3
59.01370	1.1
61.40266	0.3
61.98834	0.4
62.18924	0.3
71.01389	0.5
71.32277	0.5
79.95735	1.5
80.96544	0.3
96.96009	100.0
97.95947	0.5
99.92570	0.8
115.92072	0.5
116.92867	0.7
117.01878	0.4
122.73537	0.3
134.89473	0.5
168.14275	0.4
327.21878	0.5
373.10577	0.6
391.11807	0.5
411.49579	0.4
427.14279	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3212
Annotation	CHEBI:70533
Peak:m/z	Relative Intensity
59.01367	1.3
61.98828	0.5
69.96568	0.8
69.96980	1.2
71.67284	0.4
77.64854	0.4
85.00256	0.4
98.20605	0.8
99.00905	0.5
125.62292	0.4
128.21648	0.4
225.35498	0.4
253.21675	0.6
427.32144	100.0
428.26700	0.7
428.32507	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	429.1396
Annotation	Shermilamine C
Peak:m/z	Relative Intensity
59.01377	7.8
61.98817	1.9
69.00517	0.9
69.03446	0.9
71.01373	4.4
73.02926	0.9
85.02956	1.9
89.02403	1.5
93.03456	0.8
95.01350	0.8
96.96015	1.1
98.19912	2.3
101.02439	2.7
111.74483	0.6
113.02409	1.1
119.03526	0.9
119.05018	1.1
121.02934	1.6
133.02919	1.2
134.03729	95.0
135.04016	3.7
136.01680	1.4
137.02434	8.2
139.04008	2.6
147.04616	1.0
149.06067	41.5
150.06406	1.7
153.05458	1.1
160.05316	1.1
162.13654	0.7
169.26515	0.7
175.07596	0.8
178.02687	33.1
178.62726	0.9
179.03038	0.8
185.00929	1.5
187.43507	0.8
193.05037	51.8
194.05383	2.6
249.07697	1.0
324.96445	0.8
429.13925	100.0
430.14301	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	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86909	0.4
55.47951	0.4
56.61628	0.4
59.01377	100.0
60.01726	0.6
61.73746	0.4
61.98832	1.0
69.61775	2.3
71.01395	0.4
88.58668	0.4
89.02478	0.7
91.04014	3.3
92.92818	1.7
96.96018	1.4
158.45717	0.4
194.60620	0.4
216.60339	0.4
223.13397	0.6
275.20285	0.8
289.80869	0.4
293.21216	15.1
294.21606	0.9
311.22379	2.2
326.43500	0.4
385.15332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16368	0.6
57.55109	0.7
59.01378	100.0
60.01706	0.9
61.98827	2.6
66.32151	0.6
68.31438	0.6
75.97939	0.7
85.32895	0.7
96.96009	21.1
98.19936	1.6
99.92616	1.2
104.22024	0.6
105.43290	0.8
118.89983	1.5
175.20589	0.7
229.06293	0.6
293.21216	6.1
352.69324	0.7
428.10379	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45744	0.6
59.01378	100.0
60.01714	1.3
61.98838	2.6
64.26245	0.6
64.92213	0.6
71.01381	1.2
91.04010	3.7
92.92802	0.9
94.92521	1.7
96.47740	0.5
96.96008	17.3
99.92601	0.6
118.90002	1.1
119.94679	1.0
235.17169	0.8
275.20221	2.7
293.21228	12.2
294.21643	1.0
311.22296	4.2
325.18546	1.0
337.42819	0.8
344.64645	0.7
346.82935	0.7
427.21649	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
57.03439	1.8
57.23227	0.4
58.00588	0.8
59.01375	100.0
60.01715	1.0
61.98825	1.1
69.03457	1.1
71.01378	15.3
72.99299	0.7
73.02943	7.4
75.00866	0.5
79.05995	0.3
81.03461	0.4
83.01377	3.1
83.05052	0.6
83.30811	0.3
85.02946	4.1
86.00088	0.4
87.00869	1.7
89.02441	3.6
95.01397	1.2
96.96063	0.3
97.02932	0.5
99.00889	1.1
101.02435	8.5
104.29976	0.4
105.01755	0.3
107.05035	1.0
109.02966	1.5
109.14954	0.3
111.08173	0.8
113.02444	4.4
115.00390	0.9
119.03493	1.9
121.02965	0.4
125.02500	0.4
128.77745	0.3
133.01428	0.8
134.03749	4.3
135.04532	1.2
136.01691	0.7
137.02422	0.8
137.09735	0.6
143.03488	0.6
149.04524	0.3
151.04031	0.9
151.11270	0.9
153.12868	0.5
161.04559	1.6
161.09715	0.6
163.11285	10.9
164.11700	0.5
165.09238	1.3
165.12917	0.5
171.08179	0.7
173.37833	0.4
179.03458	0.4
179.10748	0.9
181.12323	23.0
182.12642	1.1
187.07603	0.6
187.11261	3.1
189.09181	0.6
189.12842	4.1
190.09966	5.2
193.12276	0.5
200.05670	0.5
202.06348	0.5
203.05682	0.5
203.10979	0.5
204.11549	0.7
205.12308	7.6
209.11749	0.4
221.11819	0.4
223.09654	0.4
223.13327	1.9
229.12346	1.1
231.10233	2.2
231.13919	0.5
247.13464	1.5
275.09293	1.1
284.20688	0.4
293.10388	0.4
311.11359	3.3
349.16656	0.6
367.17447	1.7
385.18466	0.8
427.19836	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	427.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82806	0.4
57.03453	0.5
59.01376	100.0
60.01704	0.4
69.03451	0.9
69.41904	1.1
69.42327	2.3
71.01379	18.5
72.99321	1.0
73.02955	6.4
83.01391	2.4
85.02936	5.0
87.00921	0.6
89.02441	3.9
93.03456	0.5
95.01423	1.8
95.05042	0.6
96.96017	0.7
97.02935	1.2
97.06599	0.6
99.00826	1.0
101.02444	6.3
108.05794	0.5
109.02905	0.5
113.02454	9.9
115.00375	3.7
119.03473	0.8
122.02446	4.7
123.08186	1.1
125.06095	1.1
133.01387	2.3
134.03723	13.6
135.04530	2.3
136.01631	4.1
136.05318	1.8
137.02470	3.7
138.06886	5.3
139.07640	1.5
141.01909	0.6
143.03552	0.8
149.06076	0.4
151.07639	6.5
152.04776	0.5
152.08423	17.5
153.09209	32.8
154.09547	0.9
159.03020	0.6
161.04529	3.2
161.09766	0.5
165.09232	1.0
169.28941	0.5
176.04808	1.3
177.09229	1.7
179.05661	0.5
179.10812	0.5
187.07753	0.5
190.06302	0.7
190.10114	0.6
205.08780	2.7
205.12309	15.1
206.12685	0.7
223.13361	4.7
231.10234	4.9
233.08250	0.9
249.11349	3.8
267.12341	3.1
293.10352	0.9
311.11359	8.6
312.11758	0.5
367.17575	13.8
368.18213	1.5
385.18820	1.8
409.13290	0.7
427.08588	0.8
427.19812	1.6
443.84851	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26021	0.6
57.81752	0.7
59.01378	21.7
59.99012	0.7
66.03433	0.6
69.65121	4.7
71.01379	19.7
72.99318	1.2
73.02942	0.9
75.47425	0.7
81.03491	1.1
97.06579	3.3
98.19939	1.5
107.05063	0.9
108.02195	2.0
109.02945	27.1
115.00381	17.2
121.02944	3.4
123.04536	1.8
131.16292	0.9
133.01425	9.2
134.03743	100.0
135.03084	1.0
135.04570	18.3
136.00606	1.1
136.01654	23.0
137.02443	10.4
151.03995	12.7
153.09247	3.9
161.09741	2.0
179.10867	0.9
187.07646	1.8
195.03004	6.6
196.03734	0.8
205.08646	3.7
205.12309	2.2
209.11798	5.4
223.13382	18.3
224.13672	1.2
227.12862	2.2
227.80264	0.8
231.10254	31.8
232.10550	2.6
233.08218	4.5
281.10303	2.4
293.10287	10.5
311.11365	60.5
312.11700	3.9
427.17548	1.4
444.65762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.9
61.98830	5.3
63.57948	0.4
71.01374	1.9
71.34035	1.1
75.00902	0.5
78.95903	1.3
79.95746	3.1
85.02983	0.8
85.61162	0.5
87.00878	0.7
89.02450	0.8
96.96008	100.0
99.00890	0.9
101.02446	1.0
101.90572	0.5
101.91325	0.4
102.94766	0.6
118.94224	1.4
119.05012	0.7
121.02897	0.7
123.04509	4.0
132.98183	1.4
135.04538	0.7
154.72424	0.5
160.95226	0.6
161.04482	0.6
167.03510	1.0
179.03455	1.5
188.04796	1.4
188.94640	0.5
193.93756	0.6
203.07224	1.0
204.99126	1.5
206.05815	0.9
219.58015	0.5
221.01320	0.9
221.08217	3.1
231.10266	1.1
241.00305	1.3
265.00339	5.4
265.02957	0.8
293.67337	0.6
317.05258	0.5
329.08896	1.4
345.13049	0.9
367.04767	0.7
427.03116	4.8
428.03333	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82095	0.6
55.01875	0.8
57.03452	0.7
59.01380	9.3
59.55693	0.6
61.39336	0.6
61.98833	27.6
62.98523	0.6
69.03455	1.7
69.96433	2.2
71.01382	14.2
72.99297	1.4
73.02944	5.7
75.00880	0.7
78.95893	0.8
79.95741	30.2
80.47585	0.6
80.96518	8.6
83.01385	3.1
85.02953	5.2
87.00888	3.5
89.02458	2.2
95.01386	0.8
95.95222	1.5
96.96014	52.7
97.02946	1.1
98.20581	0.8
98.95592	0.8
99.00877	15.3
101.02441	11.7
102.94723	15.0
105.50507	0.7
111.00885	1.5
113.02454	6.6
115.00376	3.6
117.03462	0.9
118.94209	33.6
119.05031	15.6
120.95795	4.1
122.97596	1.6
125.02437	1.7
129.01964	0.7
131.03539	1.4
133.01433	2.6
134.03725	2.0
134.04774	0.6
135.04533	17.7
136.95232	1.0
138.97078	18.2
139.00146	2.6
141.01840	0.8
143.03448	0.8
144.95770	1.3
147.04523	0.7
150.97057	1.3
159.03003	1.3
159.04370	0.7
160.95270	8.9
161.04558	3.4
163.04079	1.5
166.96562	2.5
172.95276	2.2
178.96384	0.6
179.03500	21.5
180.98059	0.7
182.99152	1.0
185.00842	1.2
185.02328	1.5
187.07594	1.5
188.94781	5.7
190.96278	0.7
191.10760	1.8
192.98204	0.7
202.06232	0.7
202.96352	1.4
205.08655	1.8
220.03711	3.2
222.99141	5.9
231.10249	5.3
232.97340	4.1
235.06149	1.8
235.11870	9.9
239.00232	0.7
241.00235	24.4
244.97423	0.9
249.11301	5.2
260.96686	0.9
262.98395	14.2
265.07071	6.5
293.10336	1.7
306.97394	1.6
311.07687	5.3
311.11395	3.2
367.11523	1.3
367.16086	24.1
367.20618	1.4
368.16400	0.9
383.04135	1.2
391.16287	0.8
401.61981	0.9
427.03134	100.0
428.03506	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	426.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40244	5.1
54.14141	4.7
57.91030	4.6
59.00410	4.3
59.01381	41.0
61.98819	38.7
69.03448	11.5
71.01372	53.3
71.54603	7.3
73.02937	5.3
78.95863	6.7
87.00871	19.4
88.04036	21.2
89.02453	9.8
96.96031	8.0
97.93705	4.5
115.00376	54.5
132.03024	20.3
132.04555	12.9
133.01405	34.2
134.03752	8.2
135.04478	6.7
136.01689	8.7
148.05260	10.8
174.03943	6.0
174.06859	13.9
175.03952	10.4
175.07649	6.9
176.04784	59.9
177.09164	29.1
185.00832	6.6
187.07648	15.7
202.06372	17.3
203.10794	16.8
205.08701	91.0
214.93184	5.4
223.06169	7.4
231.10255	90.7
233.08188	32.8
241.79024	4.6
249.11304	100.0
265.84940	5.4
267.12338	30.9
293.10336	43.0
311.11368	37.5
389.18286	13.3
390.18500	29.1
408.12967	25.0
426.13751	13.3
426.18747	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	425.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01362	1.4
61.98814	0.6
70.06834	1.3
71.01385	1.0
71.05031	0.4
72.01821	0.4
77.05244	0.4
78.97092	0.4
83.05025	0.7
96.96012	2.6
97.06568	0.6
127.07581	0.5
128.12007	0.4
134.04672	0.5
159.14977	0.4
167.14445	0.7
177.12839	1.1
183.13898	11.6
184.14267	0.6
193.12325	1.3
195.13885	23.4
196.14253	1.0
211.13385	34.7
212.13771	1.5
213.14941	8.8
223.13400	0.9
309.20587	0.7
315.26944	4.1
316.27325	0.5
337.25687	0.4
341.24896	0.7
359.26013	3.3
371.26013	0.7
377.26962	3.4
407.28030	1.2
425.29077	100.0
426.24939	0.9
426.29483	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	425.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66438	0.5
57.03432	0.6
59.01373	2.3
61.98825	1.2
64.28974	0.5
71.01365	2.9
71.03428	1.2
79.95692	0.5
83.05009	1.1
83.28557	0.5
92.92806	2.8
95.21838	0.5
96.96015	3.9
98.96286	0.6
107.05066	0.7
111.02734	0.7
115.00344	0.7
125.09708	0.9
133.01405	0.6
177.12845	1.0
177.31065	0.5
183.13879	9.8
193.12337	1.2
195.13896	24.0
196.14149	1.4
207.17584	0.5
211.13373	34.1
212.13737	1.7
213.14928	8.2
223.13428	1.3
309.20676	7.6
315.26913	3.4
341.24680	0.7
359.25952	3.1
377.26917	2.5
381.24420	0.6
407.27887	1.3
425.29068	100.0
426.29398	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	425.1845
Annotation	FR901483
Peak:m/z	Relative Intensity
55.65173	0.8
59.01381	9.9
61.98828	1.3
69.03443	2.1
71.01379	2.4
71.55807	0.9
78.95904	6.5
79.95735	4.2
83.34339	0.6
85.02954	1.4
92.74595	0.7
96.96010	100.0
96.96924	12.2
97.02962	1.9
99.00885	1.4
101.06090	1.0
115.00359	0.8
135.04588	1.4
140.00836	0.7
171.10243	1.6
175.04051	1.4
175.07597	0.9
177.05563	1.0
181.62154	0.9
185.01091	0.7
187.07672	1.8
203.07137	2.8
205.08771	1.5
224.06972	0.8
230.09476	1.0
232.07356	4.6
247.09789	2.8
263.06061	0.9
265.07605	4.6
267.09052	7.3
269.07129	1.9
293.05460	2.7
295.08649	5.3
309.10229	3.7
311.08344	1.0
327.11502	1.0
327.21783	4.9
329.14038	1.9
365.16449	3.1
389.16299	1.4
407.17142	3.7
425.18588	9.9
425.23831	1.1
426.19345	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77681	2.5
55.01876	4.7
57.03432	4.0
59.01361	9.8
71.01381	19.0
71.55781	3.4
75.00859	4.1
78.95961	2.7
83.05029	3.3
89.02440	3.6
99.00880	11.9
101.02413	6.0
129.01921	8.7
134.51944	3.3
147.02986	71.9
161.48602	2.5
185.02246	2.6
192.09117	2.8
243.23444	2.4
255.23195	5.2
256.23553	4.3
257.23865	7.5
277.21704	100.0
278.22015	7.7
287.77493	2.7
322.60953	2.9
349.21875	2.8
425.25394	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	424.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96398	0.2
57.16857	0.2
59.01385	0.7
59.47456	0.2
61.98827	100.0
66.31660	0.2
68.41405	0.2
68.55434	0.2
70.77454	0.6
71.01385	0.8
73.02940	0.2
104.61566	0.2
106.96709	0.2
115.00373	0.5
133.01425	0.5
135.04547	0.3
137.09747	0.6
155.10771	7.1
174.03232	0.6
175.07613	0.3
180.03990	0.2
187.07704	0.4
188.07922	0.3
199.09741	14.7
200.10175	0.6
203.07063	0.5
219.06696	0.2
219.13994	0.4
229.08714	0.3
231.10225	0.4
232.10706	0.5
241.11024	0.4
247.09709	0.3
263.12903	0.2
275.09344	0.3
276.09576	1.9
291.08725	0.4
309.09744	0.4
317.38867	0.2
361.15042	1.5
402.05746	0.2
424.18869	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0913
Annotation	8-Deoxy-15-(3'-hydroxy-2'-methyl-propanoyl)-lactucin-3'-sulfate
Peak:m/z	Relative Intensity
59.01374	5.3
61.18466	0.8
61.98821	4.2
69.03443	1.3
69.73053	5.4
70.75665	0.9
71.01371	3.7
73.02937	1.3
79.95732	29.1
82.09154	0.8
85.02960	1.0
86.45249	0.8
88.04017	2.4
89.02437	1.6
96.96012	68.6
98.19891	1.7
98.58534	0.9
101.02458	1.1
108.02158	1.2
115.00348	2.9
117.62183	0.9
121.02940	1.9
122.82534	0.9
132.03015	2.0
133.01425	4.0
134.03731	1.2
135.04533	2.8
136.01672	1.3
137.02454	2.0
151.07588	1.0
167.76572	1.0
174.03195	1.7
175.07533	1.9
187.09741	0.9
200.04759	1.5
203.07092	2.2
241.04994	6.3
247.09720	1.5
255.06618	2.7
256.07330	5.1
258.08664	0.9
269.08209	2.5
274.11087	0.9
283.09836	1.3
291.08722	3.1
296.10461	1.5
297.10748	1.1
299.09332	1.1
300.09998	14.7
301.10831	2.0
309.09921	1.5
311.09109	1.9
312.09891	5.0
315.12366	25.6
316.12650	1.7
327.12344	3.4
345.13486	9.3
389.18173	1.0
408.12958	3.1
414.21222	1.0
422.65753	1.1
425.09106	100.0
425.18619	3.8
426.09302	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	424.146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59609	0.1
58.24651	0.1
58.63160	0.1
59.01366	1.0
61.98828	100.0
62.98534	0.2
64.11268	0.1
71.01387	0.9
71.55252	0.2
73.02944	0.3
85.02938	0.2
94.01636	0.2
96.96041	0.2
100.41207	0.1
101.02485	0.2
113.02465	0.2
115.00378	0.6
133.01427	1.0
134.03752	0.6
135.04533	0.5
137.09737	0.6
145.94032	0.2
155.10773	7.2
156.11064	0.3
159.04521	0.5
160.05011	0.2
172.05292	0.2
173.06145	0.2
174.03265	0.7
175.07652	0.6
176.01132	0.2
185.05873	0.2
187.07703	0.5
188.08034	0.7
199.09747	14.0
200.04793	0.3
200.10138	0.6
201.09183	0.2
202.06273	0.3
203.07118	0.9
203.10846	0.3
204.11494	0.2
214.09579	0.2
219.06616	0.4
219.13972	0.4
229.08607	0.3
231.10320	0.4
232.10617	0.7
241.10793	0.3
247.09802	0.2
263.13025	0.5
272.51373	0.2
275.09293	0.7
276.09583	1.9
291.08801	0.8
293.32532	0.2
308.12305	0.4
309.09973	0.7
361.15088	1.4
362.15622	0.2
394.25415	0.2
425.18622	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60039	0.3
55.72905	0.4
57.03419	0.3
59.01378	100.0
59.55198	0.3
60.01712	1.1
61.98828	3.8
69.03455	7.0
69.73130	1.5
71.01375	6.0
72.99297	0.6
74.99121	0.4
76.49299	0.3
85.02970	1.2
89.02439	1.0
96.96019	0.8
97.02934	1.9
98.20731	0.4
101.02467	0.9
108.78930	0.3
113.02481	0.5
115.00368	2.6
120.99744	0.4
125.02467	0.6
129.01973	1.2
133.01411	2.4
134.03763	1.1
136.99098	0.4
141.01920	0.5
143.08733	0.3
147.02985	0.4
173.06070	0.8
174.06866	2.3
175.07722	1.0
179.05589	0.5
187.07716	1.0
198.99278	0.5
202.06393	2.1
203.10741	2.2
213.09279	1.2
215.07109	1.9
231.10251	2.0
246.05418	0.4
255.05492	4.9
257.08267	0.4
275.09238	9.3
291.03000	0.3
307.08682	4.7
307.12018	5.1
321.19290	0.9
335.08023	2.9
363.20319	0.7
379.07339	0.9
423.07419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06125	0.2
53.35838	0.3
59.01380	100.0
59.95577	0.3
60.01719	0.8
61.98838	2.7
67.01900	0.4
69.03458	12.5
69.31078	2.3
71.01380	5.2
72.99340	0.6
73.02948	0.4
78.95903	0.4
79.05475	0.3
85.02961	0.8
87.00883	0.4
89.02464	1.1
90.97157	0.3
96.96012	1.1
97.02953	3.0
101.02466	0.7
113.02470	0.6
115.00370	2.9
115.23701	0.3
120.99722	0.3
121.06601	0.4
129.01997	0.7
129.09261	0.3
133.01454	2.0
134.03743	0.9
135.04552	0.5
136.99232	0.4
141.01971	1.2
144.98206	0.7
149.30936	0.3
152.99597	0.5
159.04541	0.5
172.97693	0.3
173.06149	0.6
174.06874	1.9
175.07680	1.3
177.01973	0.3
187.07632	1.8
187.11368	0.5
192.73308	0.3
195.10280	0.6
197.01425	0.4
198.99329	1.2
201.00839	0.4
202.06366	1.7
203.10805	2.2
205.12329	0.5
213.09276	1.0
215.07233	1.2
231.10249	2.6
237.05272	0.3
245.08098	0.4
253.04015	0.7
255.05495	7.5
256.06006	0.7
257.08401	0.4
275.09241	9.2
279.12247	0.4
281.07037	0.5
299.04602	0.6
303.18146	0.4
307.08725	7.8
307.12024	5.5
308.09033	0.5
308.12378	0.4
311.04541	0.6
321.19360	0.6
335.08182	5.8
336.08533	0.3
363.20197	0.7
379.07034	1.9
386.51584	0.3
387.31610	0.3
423.13538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.8
55.24169	0.4
57.03438	2.8
58.00581	1.2
59.01379	31.3
60.01717	0.6
61.23867	0.4
61.98818	1.3
68.99804	0.5
69.03463	0.7
71.01381	47.1
72.99300	2.3
73.02945	24.3
75.00877	1.6
83.01386	9.7
85.02950	22.0
86.00094	2.0
86.96008	0.4
87.00886	2.7
89.02446	7.6
90.31954	0.4
95.01382	3.4
96.96012	0.7
97.02943	2.2
99.00887	10.8
101.02443	44.1
102.02765	0.6
111.00858	1.4
112.01679	0.7
113.02443	16.8
115.00349	1.7
119.03509	0.4
125.02415	1.3
127.11326	0.6
129.01942	3.0
131.03510	1.5
133.01393	0.9
133.02954	1.2
134.03746	4.0
135.04497	1.2
137.02461	0.9
143.03458	1.3
149.02443	1.2
149.04532	0.6
159.03017	3.3
161.04553	13.2
162.03227	0.5
169.26649	0.5
177.01915	2.5
178.02705	3.7
191.05632	0.7
199.13513	0.5
202.62068	0.4
218.25145	0.6
225.14911	0.6
229.04248	0.5
231.10295	0.6
275.09128	2.5
291.18130	61.4
292.18539	3.2
307.11816	1.8
335.17188	0.7
423.22327	100.0
424.22687	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.8
59.01379	12.0
61.98833	6.0
69.03419	0.8
69.39571	0.7
69.39975	4.1
71.01379	8.1
72.99332	1.2
73.02938	0.7
83.01418	0.6
85.02967	1.6
85.56695	0.6
87.00848	0.7
89.02447	3.9
96.96030	0.7
97.06585	11.5
98.06922	0.7
98.20722	0.7
101.02455	3.6
102.79175	0.6
109.19814	0.5
113.02458	1.8
115.00373	12.1
119.03471	1.2
123.08167	5.6
125.09723	100.0
126.10081	3.2
133.01425	28.0
135.04445	0.7
143.10762	1.7
151.79680	0.6
161.04552	1.2
169.08704	2.9
179.05589	0.7
183.04599	0.5
187.09746	84.4
188.10120	4.3
193.45822	0.6
199.09750	1.0
205.12337	0.7
209.11778	0.9
213.09186	0.9
231.10168	0.9
245.08359	0.7
253.09303	2.8
261.13373	0.7
263.09280	0.9
307.11862	2.3
361.22278	1.7
381.17368	0.6
405.17908	1.4
423.18686	92.6
424.19086	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	423.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70968	0.8
53.38853	0.9
54.28207	0.8
57.03439	1.0
58.00584	1.9
59.01379	76.6
60.10363	0.8
61.98832	7.4
69.50749	2.0
69.51173	3.8
71.01381	24.3
72.99303	2.4
73.02946	8.7
75.00871	1.1
78.95898	6.7
79.95728	2.9
80.96497	1.1
83.01389	1.6
85.02946	7.4
87.00885	1.8
87.04023	1.6
87.04514	22.1
89.02443	27.2
95.01392	3.2
96.96013	100.0
96.96931	12.9
97.40692	0.8
98.19968	1.7
99.00885	25.1
99.01526	1.5
101.02448	14.4
112.45400	1.0
113.02449	15.0
119.03517	6.5
119.05007	3.2
121.02959	1.3
122.06113	1.1
131.03474	3.8
135.04482	1.7
137.06087	1.3
139.11284	4.3
143.03496	1.9
149.02405	1.0
149.04535	11.3
150.03128	1.1
150.05653	2.3
161.04558	8.5
163.03938	1.4
165.05544	1.0
178.05057	1.0
179.03467	1.7
179.05637	4.2
181.05028	2.6
183.10191	0.9
191.05609	9.8
193.01758	1.6
200.99622	4.6
201.11313	36.9
202.11717	1.3
203.79124	1.0
215.12971	0.8
218.99655	2.0
223.06090	1.8
225.11244	3.4
233.06604	2.3
235.02924	2.8
241.00208	3.0
243.12149	1.8
255.12433	1.1
261.00797	8.8
285.12399	2.0
285.21451	0.9
291.14487	5.0
293.08868	1.1
303.13580	1.2
309.95602	0.9
311.10526	1.0
329.11224	1.6
347.12506	1.1
363.16614	7.1
387.16437	1.7
423.06973	1.6
423.13626	0.9
423.18671	21.9
424.19110	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	423.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
56.89801	0.8
57.03456	1.2
58.00575	1.1
59.01378	69.6
60.01719	0.8
61.98827	19.6
69.49448	0.7
71.01376	26.7
71.31895	1.4
72.99294	2.2
73.02949	7.2
75.00872	3.1
78.95898	5.2
79.95741	4.8
83.01382	2.1
85.02950	9.8
87.00901	2.1
87.04025	1.1
87.04517	13.0
88.98798	1.3
89.02446	23.5
95.01368	2.1
96.96011	100.0
96.96913	8.5
97.06584	0.8
99.00877	10.2
101.02441	18.1
106.59951	0.8
113.02454	13.7
115.03999	0.8
117.03473	1.4
118.96970	0.7
119.03528	7.5
119.04980	6.0
120.01276	0.7
120.11366	0.7
121.02959	1.8
123.24947	0.7
125.02446	1.8
131.03493	3.2
134.03763	0.9
135.04544	2.1
137.06088	1.1
139.11310	1.5
143.03493	3.3
149.04532	6.5
150.03166	1.0
150.05585	1.5
151.03986	0.9
152.07106	0.9
158.03822	0.8
161.04547	7.4
163.04031	2.9
179.03487	1.3
179.05624	3.2
179.07092	0.8
183.10283	1.3
191.00227	1.0
191.05655	2.7
193.01793	3.5
200.99597	6.3
201.01707	2.3
201.11314	19.9
202.11717	1.1
213.57559	0.8
216.06255	0.8
218.99777	2.5
223.05927	1.0
225.11421	2.0
233.01350	1.8
233.06598	1.1
235.02864	4.3
241.00247	2.7
243.11996	1.0
261.00772	10.6
270.09082	1.1
285.11697	1.2
291.14450	6.3
303.14032	0.9
329.11411	0.8
331.09390	1.5
347.12543	1.2
363.03915	1.4
363.16562	20.1
363.20892	1.3
364.16931	1.3
423.07062	2.4
423.13242	1.2
423.18497	20.8
424.12543	1.5
424.18298	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	423.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	94.3
61.18287	5.5
61.98835	100.0
62.86082	6.9
71.01369	55.1
71.54613	9.1
72.99284	5.8
73.02935	7.0
84.31667	6.3
85.02952	7.7
88.02404	6.3
89.02460	14.5
96.95996	21.4
97.63132	7.1
98.89788	6.1
98.95608	16.8
101.02444	21.2
113.02452	15.1
115.00402	36.5
116.68998	6.8
125.09746	15.6
133.01442	83.4
134.03708	9.2
161.04547	14.6
187.07718	7.1
187.09761	7.8
187.47688	6.2
189.54138	6.6
199.09590	9.0
231.10246	8.9
243.00148	9.6
261.13281	7.5
284.02948	6.9
285.03973	9.3
307.11804	7.4
390.58920	6.9
423.08286	13.7
423.18164	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01159	1.8
59.01381	23.8
60.16124	2.3
61.17199	1.9
61.98826	11.7
69.03471	2.2
69.32540	5.0
69.32961	11.6
71.01395	10.9
73.02936	3.3
73.55330	2.3
79.95732	6.7
83.01325	1.7
85.02946	5.4
86.56535	2.3
89.02412	5.6
96.95979	8.3
101.02431	8.6
113.02444	3.1
115.00391	5.9
133.01413	9.7
135.04514	7.7
150.03151	2.3
158.03691	4.1
161.04466	3.6
165.94806	2.1
181.46053	2.3
187.07632	5.4
197.71504	2.0
198.87627	2.1
231.10173	3.5
245.08069	3.4
255.05511	7.5
280.07123	2.5
295.09717	7.3
307.08414	4.0
310.08582	3.3
313.10709	3.9
325.10931	2.4
343.11841	5.7
361.18756	12.3
368.88998	2.2
405.12421	2.1
423.08087	28.0
423.17776	100.0
423.22601	14.1
424.18060	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	423.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67241	3.8
59.01377	56.7
60.52300	3.1
67.54530	3.8
69.18008	34.6
71.01376	15.0
89.02425	10.3
91.79703	3.2
101.02445	8.7
113.02476	6.1
148.34830	3.5
163.11246	5.2
207.10188	9.3
387.16547	100.0
388.16995	5.9
423.07047	3.9
423.17865	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	423.166
Annotation	[3aR-(3aR*,5E,9Z,11aR*)]- 2,3,3a,4,7,8,11,11a-Octahydro-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid
Peak:m/z	Relative Intensity
57.03445	36.7
59.01378	64.4
61.98816	3.4
67.90758	1.0
68.34218	1.0
69.03451	2.8
70.55345	3.2
71.01373	4.6
73.02927	1.1
79.95741	2.1
83.05054	2.4
85.28307	0.9
89.02437	1.3
95.05013	1.5
96.96003	4.4
97.02947	11.8
99.04516	19.3
101.02446	9.2
107.05027	1.4
109.02943	8.4
109.06593	12.0
111.04533	4.8
113.02499	1.6
115.00366	2.2
119.08633	4.5
121.06575	4.1
122.03736	11.3
122.22467	1.0
123.04490	2.9
123.08156	2.2
124.05312	5.6
125.02424	15.1
125.06075	1.7
129.01909	1.3
130.04225	0.9
133.01414	3.5
133.06642	1.5
134.03697	1.7
135.08131	2.2
136.05286	2.4
137.06078	11.7
137.09700	2.3
139.07648	36.2
143.03487	1.5
145.10196	2.6
147.08134	3.0
148.05249	1.4
161.04594	2.6
162.06787	1.8
163.07643	5.4
163.11238	4.0
164.54155	1.0
165.09204	1.5
168.07922	6.3
169.08630	1.9
169.42447	1.1
171.08133	2.5
172.08958	1.8
173.06017	1.2
175.11226	1.5
177.09239	1.5
177.12869	4.8
187.07684	1.8
187.09563	2.1
187.11266	41.3
188.11627	3.4
189.09204	2.0
190.09996	8.9
194.11609	1.1
201.05611	2.0
205.12318	100.0
206.12695	4.9
217.12344	6.9
231.10268	2.4
235.13373	26.8
236.13564	1.9
243.66574	1.2
249.11296	7.5
261.11313	3.6
275.09180	2.2
276.88907	1.2
279.12360	74.8
280.12692	6.2
307.11798	2.3
321.13376	12.3
322.13623	1.3
361.16415	2.9
423.16623	6.7
423.25912	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	423.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18532	0.7
57.46904	0.7
59.01380	17.4
61.98837	3.7
65.43176	0.7
69.31369	6.3
71.01372	8.0
78.95901	3.5
79.95740	3.1
85.02958	1.9
85.12278	0.8
94.98098	1.0
96.00944	1.0
96.96008	100.0
96.96904	7.0
98.20727	0.9
102.05569	2.0
109.02962	1.0
121.02944	7.2
134.03754	1.4
151.03999	0.9
182.98953	0.7
209.11732	0.8
233.10251	2.8
239.70477	0.8
251.95103	0.7
281.08176	1.3
282.09033	1.0
283.08652	1.6
291.08661	1.5
297.06598	1.3
307.19257	1.3
325.20233	1.6
326.06848	1.8
336.08878	1.3
345.14041	1.3
354.09995	5.9
363.14874	2.8
381.11902	1.3
381.77322	0.8
405.16150	1.1
423.13245	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	423.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67241	3.8
59.01377	56.7
60.52300	3.1
67.54530	3.8
69.18008	34.6
71.01376	15.0
89.02425	10.3
91.79703	3.2
101.02445	8.7
113.02476	6.1
148.34830	3.5
163.11246	5.2
207.10188	9.3
387.16547	100.0
388.16995	5.9
423.07047	3.9
423.17865	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	423.1661
Annotation	Ainslioside
Peak:m/z	Relative Intensity
50.85855	0.5
57.03447	26.0
59.01379	38.8
61.98806	0.6
69.03439	1.1
71.01379	1.4
71.05034	0.5
71.51658	0.5
71.53970	0.5
74.80033	0.4
75.70480	0.4
81.03479	0.8
83.05013	1.0
85.02940	0.7
95.05038	2.0
97.02939	4.5
97.06573	0.6
99.04517	19.6
101.02429	6.6
107.05042	1.0
109.02949	3.2
109.06628	3.2
111.04498	2.4
119.08644	0.6
121.06596	2.1
122.03751	6.5
123.04527	1.7
123.08173	0.6
124.05305	13.8
125.02416	1.6
125.06107	3.2
133.01460	1.0
133.06599	5.0
134.03786	0.7
135.04520	4.3
137.06085	8.0
139.07646	100.0
140.07990	4.2
147.08113	2.6
149.06061	1.4
157.10188	0.6
161.04573	5.8
162.06793	0.5
163.07607	1.1
163.11281	1.0
168.07912	17.6
169.08714	11.1
171.08142	1.1
175.11108	0.7
177.12857	0.7
179.03543	1.1
181.08716	3.5
181.12158	0.6
187.11276	10.4
189.09151	0.7
190.09961	2.0
195.44855	0.5
205.12323	19.3
206.12683	1.2
210.08919	1.7
211.09706	3.7
217.12292	2.1
220.13292	0.7
221.11801	1.2
225.11275	1.3
231.10237	1.4
235.13358	5.0
236.13593	0.5
249.11284	6.4
250.11885	0.5
251.12868	1.2
261.11295	1.0
275.09375	0.6
279.12363	67.4
280.12717	4.5
307.11896	1.3
321.13388	2.8
341.08432	0.8
361.16382	0.6
423.16519	6.2
424.16980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.3
59.01380	2.2
60.54925	0.2
61.98827	0.3
68.86554	0.2
69.17554	2.7
71.01380	49.1
72.01720	0.5
72.99312	0.5
73.02946	0.9
75.30925	0.2
78.28770	0.2
85.02951	0.6
89.02455	0.5
93.03453	0.3
96.99287	0.2
97.06587	6.0
98.06947	0.2
99.00928	0.3
101.02432	1.3
104.16143	0.2
105.03472	0.7
106.04253	0.7
110.37515	0.2
115.00368	14.7
121.02976	0.3
129.01958	0.6
133.02956	5.3
134.03737	100.0
135.04585	8.4
136.04868	0.4
137.02464	2.7
139.04001	0.7
146.69249	0.2
149.02338	0.3
149.04469	0.3
177.01930	7.3
178.02699	22.1
179.03372	2.1
231.10243	4.4
275.09222	9.5
276.09607	0.5
291.18164	1.6
307.11844	73.3
308.12204	6.0
317.66147	0.2
423.22235	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	423.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.9
57.03444	1.8
59.01377	14.9
61.98816	1.8
67.59480	1.1
68.87796	1.0
69.31385	1.0
69.31691	10.4
71.01381	70.8
73.02933	11.4
75.00848	1.5
83.01375	3.6
85.02959	10.4
87.00833	1.3
89.02434	5.9
93.03449	2.5
95.05022	1.7
97.06568	2.8
99.00878	5.3
101.02444	26.9
105.03447	7.3
111.00869	1.4
113.02441	8.8
115.00371	25.8
121.02973	6.1
127.11174	1.1
127.97977	1.4
130.14656	1.0
131.03430	1.4
133.02954	73.3
134.03740	84.6
135.04575	12.5
137.02440	33.6
139.04018	9.9
150.03180	3.5
156.81982	1.3
159.02983	1.7
161.04543	7.9
165.02000	1.5
177.01926	100.0
178.02702	71.8
179.03438	7.3
197.87070	1.1
213.09178	2.2
231.10211	8.4
232.10713	1.4
275.09241	84.7
276.09494	6.1
284.98926	1.2
289.09100	1.4
291.18118	38.3
292.18243	1.3
302.22266	1.2
307.11859	43.5
307.97867	1.1
308.12064	2.5
341.85474	1.1
423.13364	2.0
423.22369	45.1
423.28125	2.5
424.22781	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	423.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67976	1.2
59.01385	1.0
69.35264	3.6
69.35683	4.4
71.01382	64.8
72.01735	1.4
84.95742	1.0
93.03486	1.5
96.38223	1.0
97.06608	2.1
98.20683	1.8
105.03490	1.8
115.00366	17.5
115.62940	1.0
121.02961	2.0
133.02954	16.4
134.03745	55.3
135.04593	7.7
137.02458	14.2
139.04010	3.8
150.03236	1.4
153.74879	0.9
162.03209	1.4
177.01929	34.9
178.02705	100.0
179.03394	10.0
224.20338	1.3
231.10269	8.8
234.40540	0.9
275.09253	29.9
276.09616	2.1
307.11862	20.4
330.49268	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36509	1.6
51.98893	1.7
57.03445	2.6
58.00601	2.0
59.01381	73.6
61.98832	14.5
64.57771	1.8
69.77866	4.6
69.78271	5.0
69.90836	2.0
71.01381	22.2
72.99345	3.2
73.02932	3.4
74.59610	1.7
85.02943	6.4
87.49398	1.9
89.02447	18.6
95.01368	2.0
96.95988	4.7
99.04475	1.8
101.02441	19.0
113.02442	6.5
113.47629	1.9
118.21413	1.8
119.03495	5.9
120.05239	2.5
133.01404	3.7
135.04494	2.2
140.07166	2.6
146.08145	2.3
149.02432	4.9
161.04539	3.2
163.11273	28.0
164.04770	3.5
171.08170	1.9
179.03531	2.9
202.49284	1.9
208.03693	5.1
220.90689	1.9
223.06137	12.3
225.11345	2.6
256.66931	2.0
262.10776	2.8
295.09625	2.3
307.07986	2.9
363.16605	3.4
387.16595	100.0
388.16852	7.2
418.47421	2.1
423.07553	8.1
423.13040	3.3
423.17996	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	423.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
55.96048	0.5
57.03433	0.7
59.01377	10.7
61.98823	1.0
67.12824	0.4
69.52509	1.5
69.52940	1.7
71.01380	61.4
72.01710	0.6
72.99324	0.6
73.02943	2.9
77.44762	0.5
83.01382	2.0
85.02947	3.7
86.42046	0.5
87.00867	1.1
89.02450	6.0
95.01337	0.6
97.06578	6.6
98.19893	1.0
99.00859	0.9
101.02441	9.4
105.03442	0.6
106.04247	1.0
111.00877	0.6
113.02451	2.9
115.00368	15.9
117.03444	0.5
121.02897	0.5
129.01938	1.8
131.03456	3.8
133.02945	5.2
134.03737	100.0
135.04553	14.4
137.02405	1.6
139.03963	0.5
143.03497	0.5
149.04495	1.7
161.04543	2.3
177.01938	6.9
178.02711	18.2
179.03387	2.6
231.10237	4.4
232.10916	0.7
235.75912	0.5
275.09210	10.4
291.18130	10.1
292.18448	0.6
307.11841	88.2
308.12143	5.9
316.21597	0.5
408.66071	0.5
423.22278	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	423.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61374	1.2
57.49370	1.0
59.01382	23.4
61.98831	9.3
69.03460	14.6
69.25974	3.4
69.26395	6.0
69.36621	1.1
71.01382	51.3
71.01779	2.5
72.99326	1.6
73.02962	1.2
87.00875	1.2
89.02451	1.2
96.95992	1.4
97.02931	2.0
101.02479	1.2
115.00367	17.9
129.01909	1.8
133.01437	7.5
134.03758	4.6
141.01965	3.4
147.04457	1.4
173.06075	5.9
174.03049	1.0
174.06853	25.7
175.07640	10.3
182.13968	1.2
187.07652	9.2
202.06345	21.2
203.06693	2.2
203.10780	26.0
203.12662	1.3
213.09209	11.4
215.07114	4.9
218.05832	1.8
231.06726	1.7
231.10240	22.8
232.10573	1.2
246.05302	5.0
247.05937	1.1
247.09811	1.7
255.05429	8.2
257.08136	5.1
263.12631	1.2
275.09247	100.0
276.09586	6.4
307.08627	10.1
307.11813	63.1
308.12103	4.4
335.08136	5.9
363.20261	1.3
379.07138	3.0
423.16394	5.2
443.60959	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11329	0.9
55.93555	1.1
59.01379	17.0
61.98824	2.8
63.23205	1.0
69.59067	6.2
71.01011	1.4
71.01382	25.3
72.99282	2.1
83.05032	1.2
89.02425	4.3
96.95988	4.3
98.20625	1.7
109.02937	4.0
110.55397	0.9
115.00372	22.2
133.01430	21.5
134.03752	1.3
135.04431	1.1
147.04568	1.1
148.05338	1.3
158.03709	6.6
159.04494	9.8
172.05257	1.8
173.06071	7.4
174.06819	1.9
175.07642	2.1
179.03502	1.3
184.05278	1.5
187.04004	3.5
187.07637	39.2
188.08081	1.8
197.06064	2.0
201.05482	2.6
202.06323	15.1
203.10776	7.8
213.09209	13.5
215.07050	1.7
216.07852	1.0
225.27727	1.0
228.67358	1.0
231.10237	62.8
232.10612	3.7
275.09247	100.0
276.09659	6.9
293.08704	1.1
307.11844	23.9
308.12039	1.3
385.74890	1.1
423.07404	1.4
423.16473	2.4
423.26135	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	423.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.8
61.46333	0.7
61.98827	34.9
68.74090	0.8
71.01001	1.3
71.01381	18.6
73.02919	0.9
89.05573	0.6
90.97557	0.7
98.19942	1.9
101.02410	1.3
109.02995	1.1
113.02424	0.9
115.00375	11.0
133.01436	5.4
134.03737	1.8
135.04509	1.5
146.03734	1.9
148.05359	1.1
155.10704	2.5
158.03738	7.0
159.04480	10.5
160.05121	0.8
164.97166	0.7
165.60474	0.7
172.05283	2.0
173.06052	7.2
174.06853	2.5
175.07605	3.3
187.03983	3.1
187.07628	33.4
198.06842	1.3
199.09738	4.7
201.05566	2.4
202.06343	9.8
203.10759	7.2
213.09187	5.1
215.07108	1.1
216.07925	1.2
231.06573	1.5
231.10233	36.1
232.10648	2.3
275.09241	100.0
276.09543	7.1
307.08411	1.5
307.11862	21.2
308.12119	2.0
376.58496	0.7
394.54852	0.8
423.17798	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	41.4
61.98824	4.4
69.03445	2.2
69.18034	23.8
71.01381	35.3
72.99322	3.5
73.02953	7.6
79.95731	19.7
83.01387	4.1
85.02934	11.4
87.00880	3.2
89.02441	21.8
96.96030	10.7
99.00874	4.8
101.02432	28.3
109.02946	2.5
113.02465	14.2
115.00361	7.1
119.03490	9.7
127.34001	2.2
133.01434	14.2
134.03827	2.5
135.04521	5.7
143.03496	4.5
158.03709	11.7
161.04541	8.7
161.05907	2.8
165.05482	3.1
174.03259	2.5
176.04721	3.4
179.05632	6.9
187.07623	3.1
189.05649	2.8
208.03807	3.0
209.03589	3.0
231.10217	3.2
255.03065	2.6
255.06732	2.6
280.07391	12.8
281.07788	3.4
283.09805	4.2
294.09027	2.9
295.09695	13.8
296.10019	2.5
297.07767	3.0
298.08463	3.0
309.08026	2.7
310.08435	3.4
313.10867	20.1
325.10931	4.5
343.11844	15.6
356.81119	2.0
423.07571	100.0
423.17923	31.4
424.07895	10.2
424.17886	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	423.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	41.4
61.98824	4.4
69.03445	2.2
69.18034	23.8
71.01381	35.3
72.99322	3.5
73.02953	7.6
79.95731	19.7
83.01387	4.1
85.02934	11.4
87.00880	3.2
89.02441	21.8
96.96030	10.7
99.00874	4.8
101.02432	28.3
109.02946	2.5
113.02465	14.2
115.00361	7.1
119.03490	9.7
127.34001	2.2
133.01434	14.2
134.03827	2.5
135.04521	5.7
143.03496	4.5
158.03709	11.7
161.04541	8.7
161.05907	2.8
165.05482	3.1
174.03259	2.5
176.04721	3.4
179.05632	6.9
187.07623	3.1
189.05649	2.8
208.03807	3.0
209.03589	3.0
231.10217	3.2
255.03065	2.6
255.06732	2.6
280.07391	12.8
281.07788	3.4
283.09805	4.2
294.09027	2.9
295.09695	13.8
296.10019	2.5
297.07767	3.0
298.08463	3.0
309.08026	2.7
310.08435	3.4
313.10867	20.1
325.10931	4.5
343.11844	15.6
356.81119	2.0
423.07571	100.0
423.17923	31.4
424.07895	10.2
424.17886	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71737	13.0
59.01371	19.5
60.99285	22.9
61.98835	93.2
62.80062	14.1
65.28676	11.3
69.32350	99.2
88.42065	11.9
88.98814	100.0
89.02428	36.2
97.02947	18.1
98.19878	24.6
126.81688	10.8
149.47191	10.8
193.08455	19.1
233.11632	33.9
266.35675	12.1
275.17633	11.4
421.30765	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2594
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03445	1.3
58.54704	0.6
59.01378	4.6
61.98817	1.8
65.03963	1.0
68.99570	0.8
69.03450	1.6
70.93049	1.5
71.05017	1.2
74.37281	0.5
76.65755	0.5
81.03432	0.8
83.05025	6.1
85.06584	2.6
93.03440	0.6
95.04996	1.1
96.96020	0.6
97.06577	3.0
103.05513	0.7
105.07118	0.8
107.05016	0.9
107.08637	0.7
109.02955	0.7
109.06583	1.6
111.08117	2.8
113.00994	0.6
119.05049	1.2
121.06558	0.6
123.08176	1.6
125.09721	8.4
127.11288	0.8
133.02972	0.8
133.10182	0.6
134.03703	2.1
135.04489	0.8
137.09697	1.1
148.60941	0.6
151.11238	0.8
153.09224	0.7
163.11247	0.8
171.10266	18.9
178.02681	1.6
185.11790	1.9
187.14906	1.3
189.16347	0.7
201.14963	0.7
205.15926	3.8
209.11844	2.3
211.13396	5.3
215.14423	1.8
219.10210	0.8
221.15477	2.0
231.13818	2.2
233.15448	25.5
234.15778	1.4
237.14803	0.7
239.16280	0.7
249.14963	8.9
250.15443	0.6
251.16577	1.6
252.13747	1.2
257.17560	2.0
265.18161	0.6
283.19064	0.7
309.20709	0.7
329.17136	0.7
331.26361	1.9
341.24841	1.7
359.25897	1.6
367.22675	0.9
375.25577	1.2
377.27084	1.8
385.23758	4.1
393.26358	1.2
403.24878	44.8
404.25217	4.4
421.25952	100.0
422.26315	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	421.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	52.8
61.98833	100.0
71.54965	34.8
76.24094	16.1
81.19934	14.4
94.21831	15.8
109.02981	20.7
112.18774	16.1
119.08630	18.9
121.02946	53.5
122.03291	17.5
133.03009	23.0
134.03734	44.3
137.02432	26.6
163.64212	14.9
177.01825	19.5
178.02658	41.4
179.03416	14.9
403.25006	22.3
421.27380	52.1
424.82355	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	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65832	7.5
60.81497	8.1
61.98825	16.7
69.32069	33.8
69.32496	28.9
88.98820	19.1
98.19772	7.3
98.52414	6.8
117.87126	7.0
124.71439	7.6
125.09684	19.3
208.53448	7.2
224.56784	7.0
229.66817	8.7
233.15431	77.5
251.16417	9.3
331.26038	9.6
355.73401	8.1
385.23654	8.8
403.24866	100.0
404.25046	14.4
421.26059	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.236
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73928	0.5
69.83015	3.2
76.34677	0.5
78.95901	38.4
85.00276	0.5
88.71214	0.7
89.21545	0.5
98.20607	0.6
110.98529	52.7
140.64400	0.6
152.98552	0.7
152.99594	3.9
153.00648	0.6
161.89357	0.6
163.31551	0.5
167.01134	14.9
185.02190	100.0
186.02585	1.5
253.21713	31.0
254.21921	1.3
421.23569	17.6
422.23972	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67834	0.6
68.68494	0.5
69.49186	3.2
75.87653	0.6
78.95908	35.1
88.00299	0.5
96.90187	0.5
104.97467	0.8
105.35841	0.5
110.98538	54.7
133.98715	0.5
146.85989	0.6
152.99603	4.7
167.01144	10.6
185.02205	100.0
186.02632	1.8
197.02058	0.5
253.21733	29.8
254.22087	1.8
258.37225	0.6
346.54282	0.5
369.87906	0.6
421.23584	13.1
422.24014	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.3
57.03437	5.1
58.00595	1.1
59.01378	33.3
59.35991	0.7
69.03465	2.6
69.36776	4.4
71.01380	77.7
72.01720	1.3
72.99319	2.3
73.02943	35.3
74.03272	0.7
75.00871	2.8
81.03458	1.5
83.01380	10.7
84.92655	0.5
85.02945	36.1
87.00871	3.9
89.02440	19.5
95.01381	7.0
96.96017	1.2
97.02948	4.8
99.00881	17.2
101.02438	50.5
102.02795	0.9
111.00891	1.8
113.02445	28.6
115.04006	3.3
119.03490	0.8
125.02442	7.4
127.11312	2.5
129.01964	1.3
131.03442	3.6
139.16090	0.5
143.03516	3.5
149.04567	2.6
159.02969	6.2
161.04550	31.2
162.04872	1.1
167.10710	0.6
171.98193	0.6
185.28093	0.5
191.05663	1.6
233.06639	6.6
279.75717	0.5
289.16565	62.1
290.16861	4.4
293.08871	2.5
306.35400	0.5
338.02896	0.5
421.20761	100.0
422.20953	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	421.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.1
57.03430	3.6
58.00586	1.5
58.28456	0.8
59.01382	34.2
61.98836	6.0
62.85079	0.9
70.14928	3.4
70.15322	1.4
71.01382	64.4
71.05023	0.9
72.01702	1.1
72.99308	2.8
73.02946	29.7
74.03262	1.1
75.00869	1.0
83.01386	10.8
85.02947	29.6
87.00875	4.2
89.02439	12.1
95.01395	4.9
96.95995	1.9
97.02883	0.9
98.20567	1.1
99.00262	1.3
99.00882	15.4
101.02442	42.0
101.06097	0.9
111.00864	1.5
113.02450	26.0
125.02482	1.4
127.11289	1.5
127.51463	0.9
129.01945	1.5
131.03502	1.0
131.96625	0.9
143.03484	2.1
159.02991	6.5
161.04555	24.0
173.06134	1.0
191.05675	1.5
241.95422	1.0
289.16577	42.2
290.16785	2.6
303.04477	1.0
315.15900	1.0
359.18460	1.6
359.54269	0.9
366.86810	0.9
403.17789	2.1
421.20740	100.0
422.21008	9.8
432.12238	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.8
57.03447	5.2
58.00591	3.1
58.47048	0.3
59.01377	74.4
60.01699	0.5
61.98828	2.2
64.68545	0.3
67.01883	0.5
68.99809	0.5
69.03463	3.2
71.01379	100.0
71.05014	0.6
71.42461	0.5
72.01719	1.3
72.99304	4.2
73.02945	27.0
74.03282	0.5
75.00873	1.2
79.01919	0.5
81.03451	1.7
83.01384	14.8
84.01718	0.3
85.02947	35.9
87.00876	4.8
89.02441	52.3
90.02783	0.5
95.01379	3.9
97.02953	4.7
98.34077	0.3
99.00874	10.9
99.04536	0.6
101.02439	61.0
102.02779	1.5
106.75868	0.3
109.02954	0.5
111.00878	7.5
111.04446	0.3
113.02447	30.0
114.02827	0.4
115.04020	1.9
119.03542	1.9
123.00880	0.4
125.02438	7.7
127.04018	0.9
127.11288	1.1
128.01109	0.4
129.01933	1.8
131.03496	25.8
132.03848	0.6
134.10808	0.3
137.02435	0.5
139.03995	0.7
141.01892	0.5
143.03474	4.5
149.03357	0.7
149.04547	13.6
159.02989	5.0
161.04544	26.3
162.04892	0.7
165.07402	0.6
173.04504	0.6
185.11830	0.3
186.12515	0.4
187.06088	0.7
191.05602	5.5
203.05646	0.6
205.03546	0.8
211.13268	0.3
215.05571	0.8
233.06601	6.6
271.15472	0.9
289.16565	41.6
290.16895	2.8
293.08780	3.6
303.83472	0.3
333.15594	0.4
377.19055	1.3
421.20758	58.6
422.21143	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	421.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95385	0.5
55.01870	0.7
57.03452	0.7
59.01376	100.0
60.01715	1.0
61.98827	10.3
64.49808	0.6
69.74597	3.5
70.61551	0.5
71.01376	11.1
73.02944	4.2
83.01396	1.6
85.02955	5.0
89.02451	3.9
95.01408	0.6
97.29959	0.6
98.19924	1.1
99.00902	1.8
101.02438	10.5
113.02423	5.1
119.03461	1.1
124.92735	0.6
141.09232	1.0
143.03557	1.1
147.66579	0.6
149.12999	0.6
154.27968	0.5
159.03040	0.7
161.04538	5.8
185.11800	5.5
289.16711	1.9
301.16647	4.3
319.17566	29.2
320.18115	2.2
359.18924	0.7
361.18646	25.3
362.19077	1.6
421.20557	2.0
421.24701	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65528	4.2
59.01371	8.0
99.41490	3.8
135.29329	5.2
138.24594	4.4
140.02885	3.9
142.56876	4.3
145.26387	3.7
146.94162	4.3
218.29971	4.1
283.60696	4.4
377.18045	11.5
404.75290	5.3
421.16309	100.0
422.16867	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	421.2079
Annotation	(3R)-1-Octen-3-yl-beta-primeveroside
Peak:m/z	Relative Intensity
51.21741	0.4
57.03444	3.7
58.00586	0.9
59.01380	50.1
59.37761	0.4
60.01711	0.6
61.98827	3.2
69.03450	0.8
71.01382	18.6
71.05035	1.8
71.54398	0.7
72.99310	1.0
73.02950	5.0
75.00872	0.6
79.95760	0.5
81.03470	0.9
83.01378	0.6
83.05036	1.5
85.02967	1.9
85.06589	0.9
87.04520	1.0
89.02447	12.1
96.96011	5.1
97.06592	0.9
98.67174	0.4
99.00890	2.0
99.04504	0.6
99.08151	1.4
101.02431	2.0
101.06119	0.6
103.03449	0.5
109.06589	2.4
110.20695	0.4
111.04509	1.2
111.08164	3.7
113.02457	1.7
115.07639	2.1
119.03501	0.8
123.08183	1.0
125.06118	1.2
125.09732	0.5
127.07607	1.1
129.09230	1.1
134.03732	0.8
135.04530	21.1
136.04832	1.2
137.06093	1.4
137.09720	1.9
144.07933	0.5
145.08713	1.3
146.97879	0.5
150.84108	0.5
155.07127	4.1
155.10786	1.2
161.04527	1.2
162.28859	0.5
165.12910	0.7
173.08197	1.4
179.03502	16.5
179.10733	0.6
180.03923	0.6
181.08829	0.9
181.12367	2.7
197.11885	1.2
199.09840	1.0
201.11292	0.8
206.88736	0.5
208.03857	0.7
209.11946	0.7
209.15541	1.4
210.99162	0.6
215.12962	1.1
217.14462	1.4
223.06061	0.9
234.46298	0.4
235.13449	1.5
241.00233	3.9
241.10805	0.6
253.00264	0.8
253.14444	5.9
259.11813	6.1
271.15518	6.6
273.16965	0.8
289.16565	8.3
291.18213	1.1
301.12793	0.7
360.98468	0.6
361.15100	0.9
403.19824	1.5
421.05283	2.2
421.20865	100.0
422.21085	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	421.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49281	3.5
59.01370	16.0
69.45847	10.4
69.46262	15.7
71.01364	7.6
89.02413	5.4
97.87730	3.6
98.19891	6.1
99.00860	10.3
101.81312	4.1
103.12137	3.9
116.73433	4.3
191.05431	3.9
306.47192	3.9
388.14960	3.8
389.99191	4.2
421.16339	100.0
422.16742	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	421.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88063	5.0
56.65641	4.5
69.42633	23.3
69.43040	11.0
104.30403	4.4
141.13829	4.5
172.93427	5.5
214.82732	4.6
288.56451	4.7
294.37570	5.0
322.79364	5.1
377.17981	11.3
421.16336	100.0
422.16455	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98822	12.8
66.29663	3.1
70.00116	16.0
71.01379	6.7
73.02959	2.9
78.31533	2.8
82.18111	3.4
87.28039	3.4
89.02443	5.3
97.49323	3.6
101.02460	6.6
197.52216	2.9
229.08675	4.3
348.85980	3.4
421.16095	33.9
422.16638	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	421.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.3
58.93240	0.3
59.01378	16.9
61.98827	3.0
69.72770	1.9
71.01382	4.8
72.99323	0.6
73.02963	1.1
79.95751	1.0
80.96522	0.6
83.01381	0.6
85.02966	1.4
87.00893	1.0
89.02435	2.7
90.02657	0.4
96.96008	5.7
97.06598	1.0
98.19907	0.8
99.00948	0.5
99.04525	0.6
101.02452	5.3
107.05019	1.0
113.02460	1.3
116.92892	0.5
119.03513	1.2
125.09719	1.7
134.03738	3.2
135.04523	100.0
136.04846	3.2
137.09740	2.2
141.05585	1.1
149.02464	1.2
161.04593	0.8
164.04826	1.4
166.96588	0.6
167.10741	1.2
169.08659	1.9
179.03491	93.7
180.03847	4.2
181.08731	4.5
193.01445	0.6
194.35611	0.4
197.11861	0.8
199.09743	1.0
208.03763	1.2
223.06113	5.1
229.46475	0.4
241.00230	15.5
241.10954	1.7
257.09341	0.4
259.01245	0.6
259.11856	21.7
260.12146	1.5
271.10715	0.4
283.11008	0.4
301.12457	0.4
353.98657	0.5
361.14731	0.5
377.18112	6.3
378.18088	0.5
385.11203	1.2
401.85599	0.4
421.04456	9.6
421.12216	1.9
421.16592	1.4
421.21606	3.3
422.04855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57792	0.4
53.41696	0.4
59.01381	16.9
61.85590	0.4
61.98830	2.6
71.01353	3.0
71.23745	0.4
72.99313	0.5
73.02957	0.4
75.00867	0.6
78.91887	1.1
80.91692	0.8
80.96494	0.6
82.74643	0.4
83.01377	0.6
85.02953	1.3
87.00935	0.6
87.66070	0.4
88.98808	0.4
89.02449	3.9
89.03969	0.5
95.01393	0.4
96.96009	8.0
99.00910	0.5
101.02454	2.5
105.03450	0.7
107.05015	1.0
107.48143	0.4
113.02433	1.9
119.03516	1.2
120.01163	0.5
129.05536	0.5
133.02977	2.4
134.03702	1.6
135.04530	86.1
136.04834	2.9
143.03511	0.6
143.38618	0.4
151.03894	0.4
157.44318	0.4
161.04530	1.6
177.01935	34.8
178.02293	1.3
179.03499	100.0
180.03847	4.1
199.09723	1.2
216.99930	1.4
241.00232	8.2
259.00909	2.0
259.11865	0.8
322.96814	0.4
339.07028	3.7
361.14966	2.2
361.18863	0.7
421.04538	6.1
421.16852	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	419.2284
Annotation	Euodionoside E
Peak:m/z	Relative Intensity
55.01869	1.1
57.03445	0.9
58.00595	0.5
59.01379	17.6
61.29130	0.3
61.98821	0.6
69.78886	1.4
71.01382	10.9
72.99301	0.8
73.02934	3.6
78.90020	0.3
83.01388	2.7
85.02948	4.4
86.00093	0.6
87.00865	1.1
87.07475	0.3
89.02442	2.9
95.01404	0.9
96.70777	0.3
97.02960	0.3
97.06622	0.4
99.00871	1.0
101.02433	8.0
111.00846	0.6
112.01712	0.4
113.02434	2.9
113.06084	2.9
119.03512	0.7
121.02968	0.8
125.02400	0.5
134.03705	0.5
142.99892	0.6
143.03491	0.4
143.10759	1.6
149.04559	1.0
165.05518	0.3
166.84361	0.3
173.00841	0.5
183.10313	0.8
206.57080	0.4
211.48982	0.3
220.17732	0.4
239.16495	1.1
257.15039	0.6
257.17578	8.0
258.17947	0.6
401.21722	3.4
419.22833	100.0
420.23203	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	420.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
59.01376	9.2
59.95667	0.3
60.01692	0.4
61.98829	100.0
65.29201	0.3
69.36849	0.3
69.71592	0.7
69.71989	1.6
71.01389	2.6
73.02956	1.2
75.00874	0.6
83.01394	0.4
85.02948	0.9
85.42436	0.3
87.00864	0.4
89.02464	1.4
96.96013	2.2
97.59397	0.3
99.00896	1.3
101.02470	1.0
112.54899	0.3
113.02469	0.9
115.00368	0.3
119.03518	0.6
126.15524	0.3
133.01447	0.5
149.04535	0.6
161.04599	0.4
178.05989	0.5
179.05661	0.4
191.05696	0.3
195.46858	0.4
199.45634	0.3
227.48610	0.3
282.09818	0.5
305.10251	0.6
345.47372	0.3
361.22479	0.5
364.20868	0.3
379.16071	0.8
379.23532	0.4
420.11221	1.7
420.19568	0.6
421.16672	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96375	20.2
59.01377	87.5
61.98838	100.0
62.01305	16.5
73.81181	18.0
96.96002	66.8
98.20716	30.0
101.39028	18.3
102.75261	19.6
149.48613	18.1
152.91682	33.5
194.92796	55.4
249.74432	21.5
346.08072	22.2
359.04785	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30091	0.7
58.35490	0.7
58.63908	0.7
59.01378	100.0
60.01713	1.2
61.98827	1.5
64.30226	0.8
69.57902	2.8
69.58314	1.6
71.01369	1.0
94.99037	0.8
97.02979	2.0
97.04598	0.7
110.49735	0.6
118.90652	0.8
128.46109	0.7
135.91989	0.8
137.09729	1.0
159.53191	0.9
162.51767	0.7
194.76146	0.7
221.11696	1.6
221.15405	0.9
314.03082	0.9
319.22784	1.8
337.23721	4.0
359.22522	0.8
419.24216	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2287
Annotation	Euodionoside E
Peak:m/z	Relative Intensity
55.01895	0.5
58.00600	1.0
59.01380	81.4
60.01746	0.6
61.98833	6.4
71.01381	18.8
71.01780	0.9
71.55099	0.6
72.99302	1.2
73.02935	1.1
73.98389	0.5
78.95909	5.5
83.01417	1.3
85.02959	3.7
87.00901	0.9
89.02451	14.8
95.01409	1.5
96.37836	0.5
99.00848	0.7
101.02441	11.1
102.22817	0.6
113.02448	7.0
115.00341	0.5
119.03519	6.6
137.75948	0.4
139.48181	0.4
139.84116	0.5
143.03542	0.6
145.87885	0.5
152.99564	1.1
161.04564	0.6
161.44977	0.4
164.86423	0.4
167.07101	0.6
171.00609	0.9
179.05609	0.6
197.07312	0.6
221.15488	1.0
239.16534	1.4
257.44858	0.6
359.20865	0.8
361.71909	0.5
401.21661	4.7
409.27844	0.6
419.22836	100.0
420.17950	3.3
420.23236	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	419.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	42.1
61.98831	100.0
67.97830	18.9
71.55779	23.7
81.08489	24.7
96.96011	20.9
112.20226	20.3
135.50693	19.0
164.49358	17.2
188.82542	17.7
214.94395	17.3
239.84044	17.8
283.05103	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	100.0
61.98821	64.5
68.99567	34.7
70.49141	23.8
71.01353	31.8
71.39130	43.4
80.96477	23.3
87.00860	24.3
112.98576	50.7
121.25267	26.4
125.28154	25.3
126.98310	29.7
144.73206	25.6
164.82986	26.8
180.03091	25.8
419.23901	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	28.9
59.72318	8.9
60.99294	20.4
61.98818	13.8
70.03546	9.1
70.45753	20.4
72.48757	9.0
88.98804	100.0
89.02441	19.3
91.56268	9.6
93.92072	9.3
98.19939	10.1
111.04533	11.1
128.18417	9.5
160.65891	8.9
194.13322	9.2
249.85696	11.3
329.17358	48.1
364.02838	12.9
390.87469	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	419.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63319	8.3
59.01376	64.3
61.98832	26.0
69.21432	79.4
75.00871	22.9
82.17985	7.5
94.52467	8.8
98.26466	9.8
125.09692	11.0
187.14931	10.6
203.15005	8.3
231.13876	33.7
401.23254	100.0
402.23965	11.3
419.24716	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79122	13.5
51.62504	14.6
59.01362	44.8
61.98831	23.6
65.65197	15.3
69.63046	100.0
74.76514	19.0
98.19899	31.3
105.01932	78.4
119.58615	15.1
131.12360	17.7
148.37027	19.3
166.92491	13.7
200.55592	16.5
313.80432	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1096
Annotation	Eiseniaiodide B
Peak:m/z	Relative Intensity
51.11670	0.8
56.78722	0.8
57.03432	0.8
59.01378	35.3
61.75633	0.8
61.98821	2.0
70.55380	2.4
70.55741	1.2
71.01389	6.0
71.04973	0.9
73.02946	1.3
75.00854	1.0
79.29009	0.9
85.02940	2.3
87.00862	1.3
88.04031	1.0
89.02438	1.4
92.05037	2.1
96.95993	3.2
98.95567	2.2
101.02438	3.1
104.05058	0.9
109.52997	0.8
111.19075	0.9
113.02433	2.1
115.00368	1.0
115.92067	1.9
116.92917	0.8
119.03584	0.8
120.04536	3.0
120.99747	0.8
122.06108	3.3
129.02016	0.9
132.04485	0.8
133.01546	1.3
136.04012	1.0
147.03256	9.6
148.04025	7.5
150.05663	1.2
157.68660	0.8
160.03915	0.8
162.05554	0.9
163.11224	0.8
164.03519	1.0
172.74919	0.8
175.02713	4.9
176.03506	9.2
176.07144	0.9
179.05838	2.6
181.07666	1.1
184.06308	1.6
195.53615	0.9
197.07228	1.2
199.08762	3.3
203.10699	1.2
206.04660	2.0
207.05258	1.2
210.07874	1.3
211.08751	0.9
212.10809	1.9
213.10341	0.9
215.08498	0.9
215.11795	9.6
225.06723	2.1
225.10339	2.6
226.07452	1.4
227.04601	3.2
227.08298	1.7
227.11929	1.7
228.05157	1.2
237.06639	1.2
237.10246	1.5
238.07285	1.9
239.08232	1.4
240.08987	4.7
241.09749	5.5
243.07753	5.9
243.11403	2.5
253.09784	4.8
254.10574	1.2
255.07704	2.4
255.11389	3.8
256.09741	2.2
265.06055	1.2
266.06897	3.2
269.05640	4.4
269.09250	1.0
271.07617	0.8
271.10785	4.2
271.73462	1.0
272.11331	1.3
281.09299	9.1
284.07971	2.7
285.08731	1.1
297.08725	2.0
299.10324	8.0
313.11920	2.5
315.09619	1.2
325.08252	2.5
331.12946	2.0
343.09149	2.3
357.10730	1.6
359.16928	1.8
361.22125	1.8
365.16071	0.9
375.11877	6.7
383.16846	6.7
387.08099	1.8
401.09933	1.6
419.10916	100.0
419.22961	2.7
420.11172	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	417.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01711	1.1
61.98830	3.1
69.73859	0.5
69.74264	1.4
71.01382	1.2
73.02965	0.5
81.03455	0.4
83.05033	0.8
89.02451	0.4
97.02962	0.4
97.06576	0.6
100.75746	0.3
101.02459	0.7
111.08194	1.0
121.03011	0.3
125.09754	0.9
161.04532	0.6
173.08241	1.2
187.09799	0.9
239.68338	0.4
239.91878	0.3
247.11679	0.5
255.16055	0.5
309.20276	0.3
357.22098	0.4
395.16797	0.3
417.21619	1.2
417.29181	0.7
431.53546	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83606	0.3
53.17046	0.3
57.23829	0.3
59.01378	100.0
60.01706	0.6
68.53825	0.3
69.57623	2.4
115.15731	0.4
136.43535	0.4
172.19637	0.3
183.62556	0.4
210.55963	0.4
364.67001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30861	0.2
59.01381	100.0
60.01713	1.1
60.53506	0.2
61.98845	0.7
71.01397	0.5
72.72560	0.2
72.98692	0.3
73.02951	0.2
98.19917	0.4
110.61424	0.2
114.70695	0.3
155.85046	0.3
193.45317	0.2
266.80087	0.3
288.37695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11670	0.8
56.78722	0.8
57.03432	0.8
59.01378	35.3
61.75633	0.8
61.98821	2.0
70.55380	2.4
70.55741	1.2
71.01389	6.0
71.04973	0.9
73.02946	1.3
75.00854	1.0
79.29009	0.9
85.02940	2.3
87.00862	1.3
88.04031	1.0
89.02438	1.4
92.05037	2.1
96.95993	3.2
98.95567	2.2
101.02438	3.1
104.05058	0.9
109.52997	0.8
111.19075	0.9
113.02433	2.1
115.00368	1.0
115.92067	1.9
116.92917	0.8
119.03584	0.8
120.04536	3.0
120.99747	0.8
122.06108	3.3
129.02016	0.9
132.04485	0.8
133.01546	1.3
136.04012	1.0
147.03256	9.6
148.04025	7.5
150.05663	1.2
157.68660	0.8
160.03915	0.8
162.05554	0.9
163.11224	0.8
164.03519	1.0
172.74919	0.8
175.02713	4.9
176.03506	9.2
176.07144	0.9
179.05838	2.6
181.07666	1.1
184.06308	1.6
195.53615	0.9
197.07228	1.2
199.08762	3.3
203.10699	1.2
206.04660	2.0
207.05258	1.2
210.07874	1.3
211.08751	0.9
212.10809	1.9
213.10341	0.9
215.08498	0.9
215.11795	9.6
225.06723	2.1
225.10339	2.6
226.07452	1.4
227.04601	3.2
227.08298	1.7
227.11929	1.7
228.05157	1.2
237.06639	1.2
237.10246	1.5
238.07285	1.9
239.08232	1.4
240.08987	4.7
241.09749	5.5
243.07753	5.9
243.11403	2.5
253.09784	4.8
254.10574	1.2
255.07704	2.4
255.11389	3.8
256.09741	2.2
265.06055	1.2
266.06897	3.2
269.05640	4.4
269.09250	1.0
271.07617	0.8
271.10785	4.2
271.73462	1.0
272.11331	1.3
281.09299	9.1
284.07971	2.7
285.08731	1.1
297.08725	2.0
299.10324	8.0
313.11920	2.5
315.09619	1.2
325.08252	2.5
331.12946	2.0
343.09149	2.3
357.10730	1.6
359.16928	1.8
361.22125	1.8
365.16071	0.9
375.11877	6.7
383.16846	6.7
387.08099	1.8
401.09933	1.6
419.10916	100.0
419.22961	2.7
420.11172	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	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.5
58.69366	1.5
59.01379	100.0
61.98825	10.6
69.03455	2.9
69.37353	3.7
69.37772	7.3
71.01389	20.5
73.02937	5.4
75.00876	2.6
79.95693	1.5
83.01392	2.3
85.02965	6.4
87.00869	2.0
87.30587	1.5
89.02454	10.7
93.03444	7.6
94.67512	1.3
95.01356	1.9
96.96010	5.7
97.06594	3.0
99.00878	2.2
99.64092	1.2
101.02438	9.6
105.33215	1.5
107.05025	5.8
113.02449	5.7
115.00372	2.4
119.03471	2.1
120.38121	1.5
126.27687	1.4
131.03482	1.9
133.01445	2.4
137.10912	1.4
139.83879	1.2
142.49017	1.5
149.04582	1.4
161.04544	2.8
171.41690	1.4
173.04480	1.9
237.11407	1.4
255.12263	3.0
261.68646	1.6
331.17755	2.0
340.17905	1.5
373.18982	2.1
375.23911	3.6
417.16272	7.2
417.21796	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	417.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56503	0.4
55.01869	1.0
57.03428	1.4
58.00591	1.4
59.01379	56.8
61.98821	0.9
62.82298	0.4
69.03447	1.2
71.01378	32.1
71.56007	0.5
71.56414	0.4
72.01678	0.7
72.99323	2.3
73.02944	19.7
74.03251	0.4
75.00864	0.6
81.03491	0.6
83.01393	4.9
85.02944	7.3
87.00404	0.5
87.00855	2.7
89.02445	11.3
89.33205	0.5
95.01386	2.6
96.96081	0.4
97.02930	0.9
99.00890	1.1
101.02438	18.7
113.02456	9.1
115.00362	0.9
119.03500	4.1
125.02422	1.1
131.03543	0.7
143.03484	0.8
149.04512	0.6
161.04539	1.2
170.15343	0.4
183.13893	1.5
195.13899	15.4
213.14931	5.3
262.68808	0.5
357.19162	14.1
358.19583	1.4
375.20206	28.9
376.20587	2.5
411.35699	0.5
417.21240	100.0
418.21622	9.7
437.39261	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
57.03439	2.6
59.01375	44.6
61.98825	4.0
71.01376	18.2
71.56152	1.5
72.99304	1.5
73.02942	10.8
75.00871	1.4
83.01359	3.2
85.02931	8.5
87.00864	2.1
89.02427	4.0
96.96004	27.2
99.00887	4.7
101.02431	19.4
109.79310	1.4
113.02441	10.8
114.59779	1.2
119.03471	1.7
143.03484	1.5
161.04544	11.5
165.09206	1.4
249.13402	23.4
250.13628	1.7
315.14319	1.5
357.15479	4.6
381.17609	100.0
382.18018	10.4
417.04861	15.9
417.15088	18.5
417.20486	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	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.4
59.01378	100.0
61.96523	1.6
61.98832	13.8
67.01885	2.0
70.29185	4.8
71.01385	21.5
73.02941	5.5
83.01383	1.7
85.02953	5.9
87.00894	2.5
89.02444	10.9
93.03448	5.2
95.01345	1.9
96.96004	5.4
98.79263	1.9
99.00870	2.0
101.02438	7.8
107.05007	3.7
111.04594	1.7
113.02435	5.3
119.03497	3.7
129.92491	1.9
143.03505	1.6
161.04607	3.8
179.05707	2.3
184.89713	1.5
225.05685	1.6
233.17171	1.5
255.12421	2.1
331.17447	2.7
375.23608	3.6
386.89981	1.8
417.17325	7.4
417.22186	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	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82432	0.5
55.01869	0.7
57.03456	1.2
58.00599	0.9
59.01379	100.0
60.01703	1.1
60.64840	0.6
61.98834	1.5
68.18501	0.5
69.38915	5.1
69.51109	0.6
70.14191	0.6
71.01378	25.0
72.98925	0.6
72.99332	1.4
73.02962	4.3
77.91280	0.6
79.76664	0.6
83.01385	1.2
85.02948	6.1
87.00861	1.3
87.71877	0.6
89.02440	19.2
95.01393	1.4
96.85951	0.5
96.96027	0.9
97.02979	0.6
99.00878	1.7
101.02442	13.3
103.62515	0.7
104.94518	0.7
111.03455	0.6
113.02447	10.6
113.03156	0.8
119.03514	9.1
131.03484	1.0
143.03520	2.8
159.03024	2.0
161.04558	18.8
177.09235	4.5
179.05585	6.1
195.10255	0.9
217.20889	0.7
267.60950	0.7
334.57263	0.6
357.15540	28.2
358.15964	2.5
417.17487	1.9
418.74377	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25222	0.6
53.43882	0.7
55.01879	2.0
57.03444	2.5
58.00607	0.6
59.01378	100.0
61.98835	4.9
68.82275	0.7
69.31517	3.0
69.31947	3.2
71.01379	34.6
72.99304	1.5
73.02943	10.8
75.00873	1.3
83.01408	4.8
85.02952	14.0
87.00913	1.5
89.02437	6.8
89.02869	0.6
90.02771	1.0
95.01397	3.0
96.48550	0.6
96.96044	0.7
97.02996	1.0
99.00871	7.7
99.28264	0.7
101.02434	22.6
101.03103	1.1
113.02442	15.4
119.03551	1.4
131.03505	1.2
133.87883	0.7
143.03520	2.8
148.97409	0.7
149.04552	1.7
151.05028	0.8
151.28773	0.7
159.02982	3.4
161.04549	36.4
165.09190	3.8
171.10249	1.5
191.05650	0.8
205.03532	0.9
255.19763	2.4
281.60690	0.7
324.62677	0.8
357.15497	19.4
358.16046	2.0
405.20200	0.7
417.17401	2.4
417.25156	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	417.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.3
70.27689	1.7
71.01382	3.3
72.99317	0.5
73.02959	1.1
75.00877	1.1
75.60510	0.4
75.61694	0.5
78.58517	0.5
85.02949	2.1
89.02451	1.8
95.01382	1.1
96.96007	1.6
99.00867	0.7
101.02456	0.6
104.47360	0.5
106.17249	0.5
108.02170	50.4
109.02962	20.7
110.03252	0.5
113.02432	0.8
123.00906	1.0
123.04534	0.9
125.73241	0.5
134.06326	0.5
135.04510	0.8
137.79982	0.4
150.19063	0.4
151.04051	2.5
152.01146	100.0
153.01724	4.2
163.03984	1.9
164.81795	0.4
180.04301	1.1
195.06541	2.6
241.07161	3.9
266.81442	0.5
267.04996	0.5
285.06128	1.1
417.10345	97.7
418.10641	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	417.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25042	4.1
55.94844	3.8
57.23412	4.2
59.01377	100.0
61.98823	17.5
66.73803	4.5
67.62491	4.6
69.66477	28.3
71.01386	38.1
72.99295	28.3
73.02937	12.9
75.00851	8.5
78.18144	3.8
85.02952	13.8
89.02457	23.5
96.96004	9.5
99.00857	6.9
101.02436	19.8
113.02455	16.2
119.03459	6.4
135.03004	19.9
161.04539	16.8
161.86842	5.0
199.03995	4.4
217.14508	7.6
249.13403	14.3
357.15552	9.1
381.17627	99.1
382.18005	6.7
384.49771	4.5
417.15146	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01716	1.0
61.98804	0.4
67.50178	0.5
69.41881	2.7
71.01381	5.1
73.02939	0.9
75.61692	0.4
85.02961	2.2
89.02449	2.0
95.01397	0.5
95.05006	0.9
99.00912	0.4
101.02446	3.3
113.02465	1.7
119.03512	1.2
120.99641	3.3
121.06600	0.7
152.03488	0.7
161.04602	1.9
173.13409	1.5
211.17181	0.4
235.13321	0.7
253.10721	0.6
253.14236	0.4
365.53036	0.5
373.22556	1.3
415.15225	0.6
415.19849	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	417.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56538	0.4
59.01379	2.6
59.22298	0.5
61.98827	0.6
67.22006	0.4
70.53843	1.5
71.01378	3.2
73.02951	1.2
74.93581	0.5
75.37357	0.4
85.02966	1.2
89.02451	1.7
95.01368	1.4
96.96008	1.1
99.00864	0.9
99.86003	0.5
108.02172	55.6
109.02972	21.2
110.03291	0.7
123.00879	1.5
133.02966	0.8
135.04526	1.2
143.35997	0.4
151.03996	2.6
152.01146	96.0
153.01689	4.1
163.04033	1.9
177.01836	0.6
180.04294	1.4
195.06702	2.9
195.08246	0.7
231.66362	0.5
241.07101	3.9
262.34207	0.5
285.06155	1.2
358.02774	0.5
370.19449	0.5
374.66013	0.4
417.10367	100.0
418.10675	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	415.1971
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01877	1.1
57.03447	2.0
58.00590	2.0
58.51174	0.7
59.01378	100.0
59.48416	0.6
61.98822	1.0
69.03458	1.7
70.92137	1.8
71.01381	43.0
72.99293	3.2
73.02945	4.5
83.01408	3.3
85.02943	10.9
87.00886	2.2
87.04489	0.7
89.02443	40.8
93.44168	0.8
95.01418	3.2
96.95999	1.8
98.93855	0.7
99.00869	1.9
99.04528	1.0
101.01791	1.4
101.02442	24.5
101.03104	1.5
102.02765	0.9
113.02448	16.2
114.02686	0.8
115.23428	0.6
119.03500	15.9
120.99659	17.7
131.03503	1.2
141.05455	0.6
143.03500	2.4
147.11781	1.9
149.04512	1.3
161.04546	4.7
169.36661	0.6
173.13341	4.4
179.05591	4.6
185.00789	0.8
190.99184	0.6
230.19801	0.6
235.13432	3.3
313.20126	0.7
355.17480	1.3
397.18466	1.6
415.19623	66.6
416.19922	7.1
420.27765	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46012	0.7
54.73936	0.6
58.37565	0.6
58.92163	0.5
59.01368	2.1
62.19088	0.7
71.24420	1.0
72.21284	0.6
74.99098	6.5
76.30367	0.8
77.00665	74.5
81.78966	0.6
98.02804	0.6
101.56701	0.7
116.12696	0.6
147.08179	1.6
149.09695	1.4
161.09772	1.4
163.11275	2.2
187.11253	2.1
265.12411	0.9
276.83170	0.7
279.13995	1.7
280.14667	1.7
280.70898	0.7
309.22266	1.8
337.21719	100.0
338.22076	12.8
415.23093	20.3
415.28644	1.3
416.23407	2.3
429.76752	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1609
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.59290	0.5
55.01872	1.2
57.03437	1.6
58.00601	2.5
59.01380	71.7
69.45559	2.4
71.01381	50.5
72.01711	0.7
72.99310	1.6
73.02948	23.2
83.01396	2.2
85.02956	14.6
86.03315	0.5
87.00888	2.5
89.02444	64.4
90.02766	0.6
95.01392	5.2
99.00881	100.0
100.01220	1.5
100.65690	0.5
101.02440	20.5
113.02452	38.2
114.02801	1.0
119.03504	10.8
125.02434	1.3
131.03499	14.9
132.03920	0.6
143.03525	3.2
149.04556	54.3
150.04871	1.5
161.04556	24.2
179.05609	4.9
189.59767	0.5
191.05608	47.3
192.06001	1.2
202.87477	0.5
233.06657	9.6
293.08636	2.6
343.12454	0.5
415.16092	31.3
416.16336	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	415.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50066	0.7
57.03432	1.7
58.00586	1.7
59.01379	100.0
60.01727	0.8
61.98833	1.7
63.37105	0.6
69.03448	1.4
71.01380	41.5
71.55290	0.8
72.99320	2.8
73.02948	4.2
80.33022	0.6
83.01395	2.9
85.02947	10.7
87.00895	2.5
87.04507	0.7
89.02441	39.2
95.01389	2.5
96.96019	1.8
97.06610	0.9
99.00909	1.4
101.02438	24.6
108.31798	0.8
108.64308	0.6
113.02454	16.7
119.03505	15.4
120.99657	17.0
131.03494	2.2
143.03528	2.2
147.11789	1.9
149.04550	1.9
161.04575	3.5
173.13347	4.7
174.13670	0.8
179.05609	4.1
235.13390	3.3
286.12613	0.7
315.70694	0.7
330.99057	0.6
355.17615	1.3
373.18735	0.8
381.73648	0.6
397.18555	1.3
415.19638	76.5
416.19986	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50118	8.0
59.01383	76.8
61.98819	30.2
68.61726	7.3
69.40762	34.4
69.41173	13.4
71.01383	47.5
73.02943	15.9
83.01425	12.8
85.02968	12.0
89.02423	35.2
96.33609	7.9
96.96022	15.6
101.02432	26.0
113.02455	19.2
115.00353	6.6
119.03529	8.2
119.05070	8.7
127.07616	6.5
135.01256	12.2
135.04543	17.9
141.09251	10.2
146.23531	6.9
161.04561	12.3
167.01714	13.0
171.10262	15.8
178.02725	7.8
179.07089	8.1
193.04996	43.8
193.06647	7.1
204.77396	6.7
215.09233	56.9
226.11290	6.7
247.11769	7.9
329.06870	9.0
360.86929	9.2
377.14264	17.1
379.16095	100.0
415.13736	96.6
416.14063	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	415.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91589	0.3
54.02859	0.3
55.01869	1.2
57.03431	0.7
58.00587	2.5
59.01378	68.4
60.01729	0.5
69.03440	1.1
69.39150	0.6
69.39556	1.8
71.01381	54.5
72.01715	0.4
72.99307	2.2
73.02943	17.0
75.00843	0.4
78.12630	0.3
78.95905	0.9
81.03468	0.4
83.01389	1.6
85.02947	5.6
87.00887	1.7
87.04521	0.3
89.02442	100.0
90.02786	1.3
95.01399	1.8
97.02951	1.5
97.06598	0.7
99.00877	30.6
100.01234	0.3
101.02439	34.9
102.02760	0.5
108.02055	0.3
113.02448	10.5
114.02827	0.3
115.04034	0.9
119.03499	7.4
125.02442	4.2
125.09700	2.6
131.03496	16.8
132.03853	0.6
143.03516	2.2
149.04550	61.5
150.04941	1.2
152.99631	1.4
161.04518	4.4
179.05588	2.9
187.09752	2.7
191.05608	14.7
192.06067	0.5
221.06592	2.8
233.06618	0.8
251.07748	4.0
283.12030	0.9
293.08914	0.7
311.09973	0.4
400.14548	0.3
415.16324	11.8
416.16568	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41994	4.5
56.63906	4.9
59.01376	33.3
60.03466	4.6
60.99297	12.8
61.98837	43.0
69.17797	45.8
71.01384	20.5
72.43507	4.8
72.99304	6.5
73.02953	4.1
75.00861	5.4
75.21428	4.4
82.95388	4.3
85.02952	9.3
86.30254	4.2
88.04038	6.1
88.98817	61.9
89.02423	23.5
94.10028	4.3
96.96004	21.4
96.96953	5.5
98.20689	7.5
100.57735	4.4
101.02448	14.3
107.05035	6.7
113.02467	9.5
115.61140	4.4
119.05066	7.6
135.04533	15.4
149.06064	11.5
161.04498	8.3
163.03993	10.7
245.59210	4.6
277.55191	5.6
333.75531	4.6
351.16702	6.1
379.16003	66.7
380.18198	8.3
397.21124	5.6
415.13699	100.0
415.21902	9.8
416.14035	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	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01708	0.8
61.98845	0.4
69.63489	1.1
69.63917	1.3
73.77313	0.4
76.09679	0.4
82.01041	0.4
96.96042	0.4
112.54784	0.3
239.31540	0.5
256.76712	0.4
321.14908	0.4
401.57486	0.4
413.36609	1.0
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
59.01378	100.0
60.01725	1.4
70.56190	1.7
104.23643	0.5
106.87478	0.5
155.38173	0.5
157.06305	0.5
159.79562	0.5
162.16635	0.5
277.21777	2.5
296.46265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.8
61.98825	7.8
67.27643	0.8
70.39167	1.2
70.39493	2.2
71.01398	5.3
72.99303	1.3
73.02940	1.8
85.02953	1.2
88.98786	2.5
89.02434	2.2
96.96026	4.2
97.02879	1.1
99.00878	1.3
101.02444	2.4
107.05038	1.8
108.93784	1.0
113.02456	1.7
119.05036	1.6
121.02984	1.2
134.03745	56.7
135.04582	8.2
137.02483	4.3
146.61296	0.8
149.06075	22.9
150.03242	1.1
150.06445	1.2
161.04536	1.6
178.01250	0.9
178.02733	16.6
179.03494	2.6
191.05592	1.0
193.05051	100.0
194.05424	5.4
253.07143	3.2
327.08432	0.9
341.08743	3.2
355.10272	2.6
376.23364	0.9
394.11176	0.8
415.12860	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	415.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14505	3.6
54.49824	3.5
59.01382	61.2
60.77493	4.2
61.98824	37.0
69.48878	28.6
71.01383	41.2
73.02940	14.9
75.00866	5.2
78.95891	7.6
85.02943	6.2
85.06588	15.5
87.00878	7.5
89.02447	31.2
93.03469	4.5
96.96008	8.4
98.02461	6.9
99.00899	32.0
101.02466	21.7
103.29382	4.1
105.01910	5.6
105.55344	3.8
113.02464	22.7
116.84846	4.2
119.03486	6.6
120.78657	4.2
120.99629	5.4
121.02977	7.4
122.02470	8.1
130.08705	11.3
131.03545	5.5
131.07158	56.2
135.04521	54.2
136.04749	4.7
138.09241	7.2
143.03468	4.5
147.02959	5.2
149.04544	17.9
152.99570	9.7
161.04523	15.2
173.51825	4.3
181.03409	4.1
191.05595	17.7
215.09245	8.7
235.13515	4.1
267.10077	18.4
297.09738	13.0
379.16086	100.0
380.16507	6.2
415.15573	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	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.3
59.01379	100.0
60.01719	0.9
61.98829	1.0
69.03488	0.3
69.34872	1.7
69.35283	0.5
71.01380	2.1
73.02939	0.6
80.75455	0.2
85.02976	0.8
89.02453	1.3
91.91298	0.3
96.96043	0.4
101.02465	1.1
113.02463	1.0
115.00318	0.3
119.03437	0.4
121.02984	1.6
122.02473	0.5
122.03320	0.8
128.43454	0.3
130.08766	0.3
159.04637	0.3
161.04640	0.4
179.05618	0.4
185.00816	0.3
199.13451	0.5
231.06764	0.3
290.86755	0.3
292.27066	0.3
297.09903	0.4
413.14273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
59.01379	11.4
61.98817	1.5
65.57615	0.3
71.01380	2.1
71.54668	0.5
72.99310	3.0
75.00873	31.6
75.85563	0.4
76.01229	0.4
76.01750	0.3
87.00867	0.5
89.02439	4.9
91.15720	0.4
99.00874	1.3
112.02006	0.4
113.09749	1.2
117.01934	1.6
124.06298	0.4
133.58223	0.3
135.02997	35.1
136.03328	1.0
157.61829	0.4
177.12791	0.5
179.14368	0.6
195.13910	12.4
196.14311	1.1
230.23766	0.4
233.19115	0.4
277.21719	9.6
278.22037	0.7
282.65585	0.4
295.22775	100.0
296.23099	9.0
390.57288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93925	0.4
57.03466	0.5
59.01377	100.0
60.01722	1.3
60.92994	0.4
71.01394	1.7
73.02971	0.6
83.93495	0.4
85.02941	0.9
89.02471	0.9
101.02460	1.2
110.29987	0.4
113.02459	1.1
121.02975	0.7
161.04623	1.0
164.65161	0.4
190.02936	0.4
262.47537	0.4
369.52951	0.4
413.14713	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44578	0.1
57.03445	0.5
59.01377	100.0
60.01720	1.4
61.01814	0.2
61.98833	0.5
69.03465	0.2
69.75018	0.8
71.01380	3.7
72.99294	0.2
73.02943	1.6
78.52841	0.1
83.01386	0.7
83.05065	0.2
85.02944	1.6
87.00880	0.2
89.02444	1.3
92.45007	0.1
95.01398	0.2
96.96008	0.2
97.02973	0.2
97.06609	0.3
98.19981	0.3
99.00870	0.3
101.02444	2.5
113.02435	1.4
113.56823	0.1
119.03512	0.5
134.03767	0.2
137.02451	0.2
143.03510	0.2
151.11345	0.2
153.09219	0.2
161.04556	1.2
179.05647	0.3
195.10335	0.3
209.15544	0.4
243.45908	0.1
251.16647	0.4
268.03851	0.6
269.04663	0.3
275.27161	0.1
350.28522	0.2
371.20886	0.4
390.71515	0.2
413.09052	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	413.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01715	1.0
61.93718	0.2
61.98833	3.6
70.36613	0.8
71.01385	3.2
73.02968	0.8
79.96696	0.3
83.01391	0.4
85.02947	0.7
88.71505	0.3
89.02449	1.4
98.19933	0.3
101.02435	1.8
113.02462	1.6
119.03529	0.5
147.11867	0.4
161.04596	0.8
336.58759	0.3
392.59659	0.3
413.22263	0.5
414.21152	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27213	0.4
55.01877	0.6
59.01379	100.0
60.01712	1.2
61.98835	1.1
65.24854	0.4
69.03455	3.8
70.74039	0.9
70.74351	0.4
71.01376	8.7
71.05029	1.2
71.27681	0.4
72.00922	0.5
72.99329	0.8
73.02607	0.4
73.02933	2.1
83.01387	0.8
85.02976	2.8
87.00924	0.4
89.02417	2.0
95.01384	0.5
97.02991	1.2
97.06593	0.5
99.00889	1.6
101.02437	4.1
104.03540	3.5
109.06654	0.4
113.02447	2.7
114.73013	0.4
115.00388	0.7
119.03506	0.4
133.02969	3.3
134.03690	0.5
137.02460	0.6
137.09697	3.2
139.11301	3.5
141.01831	0.5
146.03572	0.4
153.92093	0.4
159.02942	0.6
161.02509	0.5
161.04555	2.8
177.01967	1.2
179.00946	0.4
185.00940	1.9
188.00896	0.5
191.14355	0.8
200.00885	2.0
209.15462	6.6
225.15024	0.6
255.03072	2.3
283.02527	0.8
289.74738	0.4
297.07562	0.6
316.02072	2.0
371.20648	2.4
381.09818	2.1
413.12335	2.3
413.21707	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01713	1.0
61.98841	0.9
62.49467	0.3
64.11391	0.4
67.59149	0.4
69.03448	0.8
70.45676	0.7
71.01374	3.1
73.02962	1.3
84.62652	0.3
85.02950	0.8
89.02453	0.6
90.88474	0.4
96.96010	0.6
97.03004	0.5
101.02442	1.2
109.81583	0.5
113.02448	1.0
133.02995	1.7
134.03688	0.4
135.04570	0.4
137.02496	0.7
137.09769	0.6
141.09242	1.6
146.85464	0.4
153.09204	1.0
161.04605	0.6
171.10301	1.5
185.00862	0.5
188.53813	0.4
209.15491	0.5
215.09308	2.3
264.34753	0.4
296.51587	0.5
350.46725	0.4
361.91403	0.4
413.17603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94284	0.9
59.01378	9.9
61.10521	0.9
61.98829	8.6
69.87131	4.5
71.01379	13.3
73.02953	6.4
79.95733	2.4
83.01373	2.4
85.02950	6.2
87.00862	1.1
88.98804	1.4
89.02444	4.7
90.06345	1.0
96.96007	100.0
98.02515	1.2
98.19933	1.1
99.00896	2.5
101.02441	13.8
108.02154	2.2
109.02946	5.5
113.02460	6.3
117.54439	0.9
119.03453	1.0
122.02348	1.0
123.04525	2.2
135.04533	8.6
147.04521	1.2
149.06055	4.6
152.01160	1.5
153.01947	2.4
153.05536	2.5
159.03050	1.5
161.04521	4.6
161.06076	2.5
163.03969	2.1
189.05589	9.6
197.91806	1.3
199.91418	2.0
207.06612	8.7
221.10292	19.6
221.12230	0.7
234.16730	1.0
251.02403	3.0
251.05518	2.0
273.89120	1.1
274.22269	1.0
285.06204	2.9
353.14487	46.4
354.14697	4.5
369.11783	1.2
374.95782	1.3
376.95282	1.8
412.92307	1.1
413.11099	1.8
414.17517	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	23.4
59.80546	0.3
61.98833	4.3
62.41893	0.3
69.03465	0.4
71.01370	1.1
71.54311	0.4
75.00901	0.5
83.01416	0.3
83.79652	0.4
87.00880	1.2
88.04070	0.3
89.02433	0.8
93.33102	0.4
96.96006	6.8
101.02422	0.8
104.02673	3.9
108.02210	0.5
113.02447	0.4
119.05016	1.2
120.02118	0.4
122.02441	0.5
130.69568	0.3
133.02879	0.5
134.03732	0.4
135.04501	0.5
136.06566	0.4
141.01909	0.4
147.04533	0.5
148.01662	7.6
148.05273	0.8
148.46353	0.4
149.06047	0.4
163.04015	1.4
163.07611	0.6
168.01682	0.4
176.01135	80.0
177.01506	4.1
180.00586	0.5
191.03490	100.0
192.03848	4.5
193.05093	0.8
207.06596	0.5
251.05598	1.1
293.12442	0.8
347.87469	0.3
401.16498	0.3
413.06610	0.5
413.15222	0.5
413.19965	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68031	0.5
59.01378	27.2
61.98534	0.5
61.98828	6.9
70.02961	0.7
71.01383	2.4
71.53992	0.4
72.99308	0.5
73.02948	1.2
75.00822	0.5
79.79503	0.5
83.58284	0.5
85.02946	0.9
87.00852	0.7
89.02449	0.7
95.01379	0.7
96.95996	1.6
99.00861	0.7
101.02423	1.6
104.02678	1.1
108.02146	2.4
113.02403	0.8
119.03388	0.5
119.05025	3.3
120.02185	0.8
120.05389	1.3
133.02966	0.6
134.03714	2.6
135.04535	0.5
141.09326	0.6
148.01672	2.6
149.06076	1.3
159.03056	0.5
161.04608	1.0
163.04005	1.7
164.04349	0.8
165.04459	0.6
176.01141	73.9
177.01469	3.0
178.02701	1.1
191.03494	100.0
192.03830	4.3
193.05052	3.1
200.00916	0.5
201.02237	0.5
207.10223	0.5
215.03242	1.0
218.13167	0.4
235.11864	1.7
251.01044	0.7
251.05580	1.3
257.10281	0.5
294.37683	0.4
297.08801	1.0
367.16052	4.0
377.14508	1.0
413.15341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
61.98826	1.7
67.63065	0.3
70.34371	0.4
71.01385	1.6
71.01868	0.7
73.02971	0.5
78.95892	1.7
79.95726	2.3
85.02949	0.3
96.96007	100.0
96.96892	4.2
97.95945	0.5
101.02434	0.4
109.02914	1.7
118.05927	0.3
119.05003	0.3
123.04529	4.0
135.04524	2.6
144.04549	0.4
147.04530	0.7
148.05267	0.4
149.06052	1.7
153.05562	5.6
154.05882	0.5
161.04715	0.4
161.06070	0.9
162.05646	0.7
171.04495	0.4
174.03212	0.3
179.00264	0.4
188.03473	0.5
189.05600	2.3
189.13960	0.3
189.95497	0.3
191.03586	0.4
193.98940	0.3
207.06601	3.9
209.01311	2.4
221.01155	1.6
224.00005	1.3
224.97151	0.5
241.00340	1.4
251.02364	7.8
251.05556	1.8
255.98772	0.4
259.01416	0.4
263.02472	0.4
271.08157	0.4
283.01373	1.5
315.10764	1.5
353.05554	1.3
353.14487	1.2
369.12006	0.5
371.06213	0.4
413.07047	4.0
413.11667	0.9
414.07617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
61.98827	1.4
65.15649	0.3
70.03003	0.2
70.58112	0.5
70.58479	0.6
71.01384	0.8
75.00872	0.3
78.95901	1.8
79.95737	2.2
90.11625	0.3
91.90456	0.3
96.96009	100.0
96.96891	4.0
97.02934	0.5
97.95964	0.4
104.40874	0.3
109.02943	3.4
117.65717	0.3
118.02995	0.4
119.04997	0.4
123.04525	3.1
135.04520	6.7
143.05035	0.4
144.04601	0.6
149.06094	4.3
151.04097	0.3
153.05548	3.9
157.12825	0.3
161.06055	2.4
162.05589	0.5
163.04028	0.4
165.05533	0.4
170.99908	0.4
171.04472	0.5
174.03242	1.1
188.03502	1.0
189.05560	6.7
190.06003	0.5
191.03551	0.4
207.06609	7.2
208.06931	0.6
209.01382	1.8
221.01317	1.0
223.99985	0.8
233.05762	0.3
241.00349	0.8
251.02382	4.9
251.05559	1.2
271.08270	0.4
283.01282	0.9
297.09766	0.8
311.11356	0.4
315.10968	0.6
353.05563	1.0
353.14651	0.4
369.11853	1.5
413.07602	2.6
413.11667	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01697	1.1
67.72639	0.5
69.64687	2.8
70.96557	0.5
96.18931	0.5
111.66553	0.5
129.05504	0.4
135.73511	0.5
137.50804	0.5
148.09576	0.5
182.93849	0.5
209.39355	0.5
243.10426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.0
60.01699	0.4
61.98828	100.0
71.01395	0.7
71.54335	0.3
79.59255	0.2
80.07075	0.2
85.02939	0.2
89.02428	0.3
96.96047	0.5
101.02461	0.6
113.02462	0.4
115.00455	0.3
118.02995	0.4
119.05029	1.0
120.05378	0.4
135.04523	0.4
140.44771	0.2
147.04469	0.3
149.06157	0.6
149.29111	0.3
161.04572	0.3
163.04048	0.7
164.04434	0.8
176.01176	1.9
178.02792	0.4
191.03519	2.5
193.05124	0.9
215.09393	0.3
247.34277	0.2
352.19534	0.3
377.14746	0.3
412.13153	0.3
413.06442	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04151	0.2
53.07664	0.3
59.01377	1.2
61.98827	2.0
71.01369	1.2
71.02352	0.4
71.02687	0.3
71.60043	0.3
73.02951	0.7
73.30566	0.3
75.23164	0.2
76.97112	0.2
79.95734	2.4
83.01398	0.3
85.02934	0.5
89.02443	0.5
90.96658	0.3
96.96008	100.0
99.00874	0.5
101.02449	1.0
109.02938	2.9
113.02470	0.5
135.04526	1.0
149.06055	0.3
153.01921	3.0
161.04596	0.4
161.05988	0.5
164.98651	1.6
179.97383	0.6
189.05566	2.2
196.97711	0.8
206.99785	1.5
207.06635	1.0
208.97656	1.3
211.96513	0.4
221.10283	1.1
234.99184	0.4
238.98633	0.6
250.96161	0.3
250.98729	4.2
251.02461	0.2
251.05711	0.5
315.07236	1.3
323.42313	0.3
353.02051	0.8
353.14468	2.7
353.18146	0.4
369.91293	0.3
397.00565	0.3
413.03796	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88320	0.3
58.00594	0.4
59.01376	9.3
61.98829	0.8
64.94299	0.4
70.77535	0.7
70.77895	0.8
71.01380	2.3
72.99315	2.4
75.00871	37.3
76.01206	0.5
87.00871	0.5
89.02445	6.6
99.00848	0.7
111.08119	0.4
113.09761	0.4
116.92822	0.5
117.01935	1.5
135.02995	42.8
136.03329	0.9
179.14470	0.6
195.13908	6.0
196.14468	0.7
205.39172	0.4
211.13438	0.5
223.13379	5.3
224.13640	0.4
256.13174	1.3
275.20154	4.7
293.21216	100.0
294.21555	9.9
323.92636	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
71.02385	0.9
71.02700	0.8
88.95958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.1
56.64552	0.7
57.03452	4.1
58.00583	1.3
59.01067	1.2
59.01375	42.1
61.98824	5.5
69.03451	5.4
71.01378	56.5
72.01705	1.0
72.99298	2.2
73.02940	29.2
74.45869	0.6
75.00869	1.1
83.01378	12.1
85.02944	28.0
86.00095	1.2
87.00874	2.4
87.13097	0.6
89.02441	12.0
95.01395	4.4
96.96007	1.5
97.02951	3.3
99.00876	14.7
101.02435	49.4
111.00867	1.0
112.01665	1.4
113.02439	21.2
115.00396	0.8
119.03442	1.6
125.02448	2.0
129.01884	1.4
131.03528	1.7
133.01440	0.7
143.03496	2.4
146.12975	0.6
159.03009	4.2
161.04552	23.6
171.77756	0.7
185.00928	3.3
221.22195	0.6
251.80026	0.7
279.14462	69.0
280.14850	3.8
351.20184	12.4
352.20367	0.9
375.16440	1.3
400.03104	0.6
411.18658	100.0
412.19012	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	411.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60593	0.5
59.01379	100.0
60.01713	0.8
61.98844	0.8
69.03471	0.6
69.36619	1.1
69.37029	3.0
71.01382	18.3
71.01778	0.9
73.02945	22.1
73.03358	1.1
74.98177	0.5
79.27086	0.5
83.01385	5.4
84.51900	0.5
85.02530	0.5
85.02939	3.1
87.00912	0.7
89.02448	7.4
95.01411	1.1
99.00905	0.6
101.02441	20.5
113.02448	9.3
119.03496	2.3
125.02461	0.9
131.03539	1.8
134.03737	1.6
137.09729	6.9
143.03534	1.4
149.04588	1.8
161.04523	2.8
188.39542	0.4
189.12868	0.9
243.12401	0.7
361.48407	0.5
387.02771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.7
57.03441	2.3
58.00587	0.9
59.01380	26.8
61.98832	5.5
63.88150	0.5
68.99802	0.8
69.03455	0.7
71.01383	47.4
71.24040	0.8
72.00907	2.3
72.01715	0.8
72.99309	2.3
73.02946	20.4
74.02473	1.3
74.03264	0.6
75.00880	1.8
83.01387	9.1
85.02946	19.1
86.00097	1.1
87.00880	3.0
88.98785	0.7
89.02440	14.1
95.01382	3.8
96.96016	3.1
96.98984	0.5
97.02947	2.2
99.00880	10.6
100.00412	3.2
101.02445	41.5
111.00886	2.6
113.02444	19.1
115.00343	0.7
117.09192	1.5
118.04218	1.1
118.05080	6.4
119.03500	2.3
119.05022	5.2
125.02435	2.4
129.01929	1.3
131.03506	3.0
135.04483	0.6
143.03493	3.2
144.03017	3.0
148.04019	0.8
149.04588	2.8
155.69234	0.5
159.03009	3.3
161.04547	19.5
163.03998	6.0
182.23181	0.5
191.05550	0.9
221.06590	1.1
233.06732	1.4
279.14478	51.7
280.14819	3.1
293.08783	1.1
295.08185	1.7
323.13223	0.7
408.82895	0.6
411.18698	100.0
412.19061	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	411.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26630	0.4
51.50221	0.3
51.68608	0.3
56.36106	0.3
57.95460	0.3
59.01374	26.7
60.01699	0.3
61.35799	0.3
61.98829	2.6
69.75844	1.5
71.01370	3.2
73.02931	0.6
74.02383	0.3
79.95738	4.2
85.02952	1.2
87.00870	0.5
89.02446	1.7
95.95223	0.8
96.32842	0.3
96.96004	62.5
97.02954	0.5
98.19984	0.7
98.95562	0.4
99.00832	0.4
101.02431	2.0
113.02435	1.0
119.03412	0.4
119.05013	0.9
122.97580	1.2
125.02393	0.4
161.04552	0.8
163.03987	1.1
187.76895	0.3
231.06917	6.5
249.07968	1.1
255.08847	0.5
279.14508	0.8
291.09036	0.6
295.11108	0.4
307.83917	0.4
351.20117	3.8
375.46445	0.4
411.13260	100.0
412.13553	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.2
57.03451	2.8
58.00581	1.8
59.01380	30.0
60.01717	0.6
61.98833	9.5
67.96202	0.5
69.03450	2.1
71.01382	52.3
71.53644	0.6
72.00919	1.5
72.01707	1.0
72.58588	0.5
72.99301	2.2
73.02947	22.7
74.02466	0.6
74.03264	0.7
75.00872	2.1
81.03452	0.8
83.01389	9.0
84.02158	0.5
85.02950	24.3
86.00106	0.9
87.00890	3.3
88.98804	1.0
89.02446	15.8
95.01389	3.4
96.96017	3.6
97.02950	2.7
99.00877	10.7
99.04501	0.6
100.00394	1.7
101.02441	47.7
102.02762	1.1
111.00875	2.2
113.02450	19.7
115.00356	1.1
115.03962	1.1
117.09215	1.1
118.05122	3.4
119.03503	2.2
119.05020	12.2
120.05357	0.7
123.04492	0.7
125.02451	3.3
129.01933	1.4
131.03513	3.2
135.04520	0.9
141.01924	0.6
143.03511	1.9
144.02962	1.3
149.04568	3.1
159.02977	4.6
161.03253	1.1
161.04555	19.3
162.04941	0.7
163.04001	11.7
172.49323	0.5
179.87984	0.5
187.09755	0.7
189.11328	1.0
191.05614	1.8
203.02042	0.8
205.03403	0.7
233.06598	1.3
270.07993	0.5
279.14474	59.0
280.14804	2.8
293.08731	1.5
295.08145	3.5
351.16614	0.6
411.18683	100.0
412.19003	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	411.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33563	6.0
59.01370	6.3
61.98821	12.3
69.75462	13.4
69.75865	25.9
71.01402	11.4
74.38088	6.6
96.95999	9.9
98.19886	8.7
109.38693	5.9
119.05031	10.7
123.43540	6.6
131.14003	7.0
149.02461	32.6
150.03209	39.2
161.10037	7.0
164.04723	18.3
165.05560	100.0
166.05923	7.1
195.06621	53.4
238.50375	6.6
271.61139	6.3
327.10843	50.1
355.46664	5.7
357.11642	11.5
411.10431	37.0
412.10745	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	411.1266
Annotation	t(6)a
Peak:m/z	Relative Intensity
57.03439	0.8
59.01379	9.7
61.98829	8.3
70.18813	0.5
70.92049	1.5
71.01379	10.1
72.00909	27.6
73.02949	4.2
74.02473	14.9
83.01402	1.6
85.02970	3.7
87.00860	0.7
89.02472	4.2
96.95992	4.6
99.00885	2.0
100.00402	36.2
100.04021	3.2
101.02442	7.7
111.00880	0.8
112.74192	0.6
113.02456	3.7
115.00351	0.8
115.70569	0.6
117.68589	0.6
118.05099	100.0
119.03508	0.9
119.04950	6.1
120.01231	1.0
143.03505	1.1
144.03020	35.9
145.03403	1.2
147.38560	0.6
159.03038	0.8
160.02669	4.0
161.04514	4.3
163.04005	5.9
175.51563	0.6
227.12537	0.7
254.82358	0.6
279.14481	7.7
295.08295	1.7
411.07123	1.2
411.12982	4.2
411.18726	18.2
411.23953	1.2
412.19107	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.7
61.98824	4.8
64.60919	0.3
65.95213	0.3
67.46307	0.3
69.53548	1.4
69.53961	0.8
71.01376	12.1
73.02949	0.8
83.01387	0.4
85.02966	1.1
85.10170	0.3
87.00902	0.4
89.02438	1.8
93.03488	0.5
96.96001	1.3
98.19852	0.4
101.02423	2.7
112.75844	0.3
113.02452	1.5
115.00368	7.6
119.05022	83.0
120.05341	3.4
143.03561	0.3
159.02931	0.4
161.04562	1.7
163.03999	100.0
164.04327	4.2
188.04782	0.5
213.11288	0.8
216.04160	0.4
231.06592	1.0
263.11356	0.6
278.59009	0.3
279.14432	1.1
295.08197	25.0
296.08496	2.3
351.20355	2.4
382.07849	0.3
410.20889	0.4
411.09109	0.9
411.13550	1.4
411.18765	2.0
424.99844	0.3
439.01700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.106
Annotation	Ziprasidone
Peak:m/z	Relative Intensity
59.01379	26.4
59.40396	7.4
61.85691	7.4
61.98837	27.2
69.72471	42.9
71.01373	25.1
83.02254	8.4
89.02440	24.0
101.02419	8.5
112.98766	10.3
113.02473	9.9
118.05101	11.9
119.03529	10.0
119.05028	31.4
123.97919	7.4
128.16304	7.2
134.03841	11.6
138.91130	14.0
145.03021	8.6
149.02414	15.7
149.06085	17.2
150.03177	36.6
151.04039	16.3
161.04611	9.4
163.03978	14.3
164.04710	9.0
165.05534	34.1
179.05608	19.9
195.06548	24.6
211.06175	10.5
263.05939	10.0
295.08167	14.0
327.10767	25.8
337.04053	8.2
357.11960	13.8
373.11502	8.8
375.00070	39.1
411.09955	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	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74824	1.1
55.01879	1.8
55.76007	1.0
57.03423	1.9
58.00573	1.9
59.01377	100.0
60.01694	1.4
61.98542	1.5
61.98832	27.5
69.54991	7.6
71.01377	43.7
72.99296	3.4
73.02942	7.6
82.95409	2.9
83.01369	3.2
85.02947	12.1
87.00871	1.5
87.04520	1.6
89.01933	2.0
89.02445	32.1
95.01376	2.8
95.95989	1.3
96.95993	5.2
98.20620	2.4
99.00867	3.0
101.02444	27.7
109.02823	1.2
112.92569	1.1
113.02444	17.2
113.70076	1.4
115.00444	2.4
116.05022	3.1
117.05381	2.2
119.03500	13.0
119.04998	5.1
121.02944	1.3
128.05113	1.1
133.01431	3.1
135.04494	2.2
143.03494	2.5
159.02937	1.8
159.06456	2.2
161.04535	21.5
163.04008	2.2
163.64896	1.1
179.05580	4.2
185.02203	2.5
187.07620	4.6
187.09552	1.6
187.13405	8.2
202.06332	1.6
203.10797	1.6
205.08661	1.5
230.68620	1.2
231.10246	17.0
249.11208	2.7
277.12976	1.6
293.10281	4.8
330.28354	1.4
349.18643	75.2
350.18896	5.9
409.12100	2.4
409.16782	3.6
409.20856	4.2
410.06946	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.5
58.40734	0.3
59.01380	6.8
61.34069	0.3
61.98830	10.0
69.03449	0.4
69.30904	1.6
69.31329	1.4
71.01380	21.2
72.01737	0.6
72.99311	1.3
73.02930	1.6
75.00859	0.8
83.01398	0.4
83.27873	0.3
85.02943	2.0
85.06577	2.7
87.00878	0.6
89.02441	3.0
93.03434	0.7
96.96034	2.3
97.02921	0.7
98.20675	0.7
99.00886	0.9
101.02432	2.4
111.00869	0.5
113.02452	1.6
115.00370	7.9
115.03997	3.4
115.89165	0.4
117.03490	0.6
118.02950	0.6
118.36594	0.4
119.05021	100.0
120.05353	3.5
126.50510	0.3
131.03487	1.0
133.02969	0.5
139.03984	0.7
141.01926	0.4
143.44691	0.4
149.04553	0.7
161.04556	1.3
162.03249	0.5
163.03999	55.8
164.04344	2.0
171.06667	0.5
177.05608	0.3
188.07196	0.3
189.07727	3.7
189.11375	0.8
190.08055	0.4
203.02045	0.6
204.04257	1.0
205.05022	0.6
216.04185	0.4
219.06622	0.4
221.06635	0.4
231.06596	1.0
233.71919	0.3
249.07590	1.2
279.14609	1.8
295.08194	40.1
296.08478	2.8
351.16055	0.4
411.13232	0.8
411.18448	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	409.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.4
58.00606	0.9
59.01380	100.0
61.64691	0.8
61.98839	2.0
66.31357	0.7
69.03470	1.0
69.26982	4.1
69.27419	3.5
71.01384	34.9
72.32206	0.8
72.99315	1.9
73.02943	8.0
73.22038	0.8
75.00860	1.0
83.01411	2.3
83.05035	1.6
85.02952	23.5
85.03463	1.3
87.00875	15.8
89.02438	12.9
89.03579	0.8
95.01422	1.9
96.96040	2.1
97.06576	1.3
99.00893	2.8
101.02441	17.6
108.02210	1.4
111.08157	15.3
113.02446	11.7
115.00372	14.6
115.01147	1.0
119.03545	4.9
122.03754	0.9
131.03543	1.6
133.01428	12.8
134.03751	1.0
143.03548	1.7
147.04536	1.2
149.06046	1.3
157.68031	1.0
159.02972	1.1
161.04585	4.8
173.06126	0.9
173.08200	13.0
174.06902	3.2
175.04018	5.4
175.07646	3.4
176.04776	34.9
177.05367	1.3
177.09224	4.9
179.05553	5.1
187.07649	5.3
189.05606	1.3
202.06310	4.4
203.10773	5.4
204.04369	2.6
205.08690	40.8
206.09158	2.1
219.10277	1.0
226.33275	1.1
231.10262	30.9
232.10704	2.5
233.08159	19.3
235.11974	2.8
249.11302	45.2
250.11758	2.5
253.09302	1.0
263.09488	1.4
285.42438	0.9
293.10297	25.4
293.13397	1.7
294.10916	1.7
305.16074	5.2
306.38593	0.9
331.17816	5.6
367.16278	2.6
373.18790	2.3
391.19891	3.5
409.21011	94.4
410.16898	1.3
410.21381	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	409.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.3
57.03426	3.3
58.00583	2.6
59.01377	86.1
60.01690	1.1
61.98827	8.8
67.80446	1.1
69.03451	1.5
70.39626	3.2
71.01376	75.4
72.01727	1.5
72.99298	4.0
73.02942	30.5
75.00861	2.4
80.68570	1.0
82.91010	1.0
83.01377	3.8
85.02945	20.0
85.06592	1.3
87.00869	6.0
89.02441	85.5
95.01395	5.8
96.96010	4.4
97.02951	1.2
99.00876	100.0
100.01211	1.4
101.02438	41.1
113.02448	44.3
114.02800	1.8
115.03990	1.3
115.07626	3.4
116.97218	1.0
119.03484	9.0
123.04514	3.3
125.02401	2.8
129.05580	1.5
131.03488	20.2
143.03482	3.9
149.02565	2.2
149.04549	71.6
150.03212	3.5
150.04898	1.5
159.02977	1.7
161.04561	28.1
165.05586	7.3
179.05606	3.6
181.04933	1.4
187.07695	2.1
187.09692	2.7
191.05603	42.6
192.05960	1.8
195.06631	1.8
202.56049	1.1
211.06064	1.6
221.06696	1.2
231.10246	4.5
233.06647	10.2
233.89157	1.2
244.17941	1.1
259.65161	1.1
277.12912	13.2
293.08743	3.7
311.09781	1.5
331.14102	1.8
349.14713	2.8
349.18597	1.7
409.17120	40.3
410.17612	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
56.00296	0.8
57.03470	0.8
58.00590	1.0
59.01377	100.0
60.01691	1.4
61.98827	4.1
69.34145	1.0
69.34676	3.0
69.35104	3.7
71.01378	28.2
72.99300	1.4
73.02962	4.1
77.01766	0.9
83.01393	2.3
85.02933	7.2
86.39705	0.8
87.00901	1.7
89.02443	31.5
95.01392	1.6
96.95997	3.6
98.19925	1.8
99.00895	1.2
101.02444	20.5
104.88324	0.8
113.02439	12.8
114.40107	0.8
115.00336	2.1
118.82073	0.8
119.03493	14.0
125.02472	0.9
131.03510	1.3
133.01396	3.2
138.97113	1.0
143.03503	3.1
149.04587	1.8
159.02930	1.5
161.04552	11.4
175.07564	1.0
176.04762	2.8
177.12791	1.3
179.05586	11.0
187.07651	2.2
187.13383	3.5
202.06349	1.3
203.10789	1.5
205.08640	3.8
208.07321	0.8
231.10246	10.0
233.08147	3.5
247.09480	1.4
249.11217	2.8
250.77957	0.8
293.10342	4.8
305.16006	2.4
327.03278	0.9
346.24411	0.8
349.18634	37.8
350.19025	3.8
367.16037	1.5
399.53101	0.8
409.06406	1.1
409.11819	3.2
409.16202	1.3
409.21469	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	408.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91465	0.8
59.01366	3.3
61.98830	100.0
63.91469	0.9
64.71666	0.8
69.52013	5.9
71.01392	0.8
78.95877	1.0
80.27026	0.8
96.20942	0.8
125.01530	0.9
139.24443	1.1
178.52367	0.8
245.55295	0.9
247.01759	0.8
261.12140	0.9
285.96350	0.8
372.16977	0.9
405.25998	0.9
409.19006	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.0
61.98829	12.3
69.03455	1.6
69.62489	2.6
69.62904	1.0
71.01373	1.9
89.72515	0.6
96.96021	1.4
97.02899	0.9
99.00880	1.1
99.92583	70.1
100.90431	1.7
100.92590	3.2
100.93374	2.2
115.00355	0.9
115.92075	37.3
116.92857	100.0
117.92879	4.4
134.03728	2.0
135.04492	0.9
151.90724	0.6
178.02715	0.9
193.12335	1.4
204.39613	0.6
205.32219	0.6
226.43059	0.7
243.55830	0.6
245.27075	0.6
257.01306	0.6
260.05069	1.8
276.04562	1.1
278.06064	2.1
293.04755	1.1
293.10297	0.9
296.07022	0.7
304.03873	0.8
309.20657	1.3
322.05127	23.8
323.05402	3.4
373.10928	0.8
391.12454	3.1
409.13239	55.4
410.13467	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	408.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90291	0.4
59.01369	1.4
61.68915	0.4
61.75730	0.3
61.98830	100.0
69.18069	2.3
69.18495	1.6
71.01389	0.4
94.32698	0.4
98.19923	0.8
99.92580	2.2
100.92611	1.3
105.50883	0.5
115.00449	0.4
115.92097	1.1
116.92133	0.6
116.92845	2.4
117.92893	1.1
170.71664	0.4
184.48273	0.3
408.11945	1.4
408.17697	0.4
409.13446	0.5
409.19073	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.9
61.98829	8.2
66.23939	0.5
69.03448	2.4
71.01376	1.8
71.55512	1.1
78.95896	0.8
81.98560	0.6
83.05023	0.9
87.50223	0.7
99.92586	57.2
100.92602	2.9
100.93376	3.0
111.08155	0.6
115.91231	1.3
115.92075	50.0
116.92172	4.4
116.92859	100.0
117.92888	5.2
123.08211	0.8
137.09732	1.2
142.88292	0.5
171.10260	0.8
181.12331	1.3
206.14903	0.6
206.17038	0.5
209.11812	3.6
243.03300	1.9
253.18163	0.9
267.03351	1.0
276.04660	1.3
279.03217	1.7
291.03244	1.5
292.03979	1.2
294.05502	0.6
306.01877	0.7
309.04352	1.9
310.05194	0.7
320.03650	1.7
321.03915	0.6
338.04462	1.3
347.17050	2.0
381.19492	0.6
389.10794	1.2
407.11664	54.7
407.28018	2.6
408.11893	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	406.165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.7
57.53916	1.5
58.00587	2.7
58.02969	13.2
58.15004	1.3
59.01380	94.4
60.01704	6.0
61.98833	10.3
66.03468	2.0
69.90278	2.6
69.90672	4.4
70.32835	1.4
71.01379	37.3
72.00899	2.1
72.01710	5.1
72.99326	2.9
73.02935	9.4
74.02469	30.5
77.44830	1.3
81.03474	1.3
81.04558	2.6
82.02969	3.6
83.01353	2.5
85.02942	10.4
86.02477	20.8
86.06094	1.9
87.00874	3.7
87.05628	6.2
87.79809	1.3
88.04013	2.0
89.02438	28.7
90.02784	5.4
95.01384	2.9
96.04565	1.8
96.96011	3.1
97.02949	1.7
97.04092	2.4
99.00888	1.6
99.04527	2.3
99.05640	23.1
101.02448	23.4
101.07205	4.5
102.02770	4.4
102.05591	4.8
107.06142	2.2
109.04060	5.3
109.07719	1.6
111.00831	1.4
111.05615	2.5
112.04025	3.0
113.02459	14.7
114.02761	2.2
115.00346	1.7
119.03506	15.1
120.03745	1.7
123.05627	2.6
124.04037	1.6
125.03526	4.3
127.05094	4.7
128.03537	74.8
133.01410	4.3
133.06932	19.5
135.05580	8.2
138.05602	1.9
141.06685	4.2
141.09164	3.6
143.04614	100.0
145.06148	4.6
146.04587	10.1
153.06654	6.7
159.10242	1.9
161.04530	12.3
162.04877	1.7
166.09784	3.5
167.04524	4.7
167.08215	6.0
170.03391	2.1
171.04080	2.6
171.10240	3.6
179.04527	19.3
181.06250	2.0
185.05608	4.0
185.11827	7.4
192.07849	2.2
197.05597	5.7
203.07095	5.2
210.07178	1.9
210.08878	22.3
215.09195	4.5
221.06541	1.7
228.09819	2.2
244.16484	1.6
254.07802	50.3
255.08173	3.5
272.08875	64.2
273.09152	2.9
277.12317	6.9
291.08453	1.9
319.12592	1.3
319.15823	32.4
320.16125	2.8
345.41309	1.6
347.17136	6.9
385.86740	1.6
388.15305	15.1
406.16495	75.6
406.21405	17.9
407.19290	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	405.2642
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
57.03440	1.6
59.01381	18.5
61.98828	10.9
64.58433	1.1
70.37019	0.9
71.01408	1.0
71.54829	1.9
95.05038	1.1
96.95995	1.0
97.06595	1.0
99.92601	1.2
109.06608	0.9
114.59733	0.9
116.92863	2.5
121.06572	1.2
125.09735	1.1
137.09641	1.3
145.06221	2.2
181.12308	1.3
195.91409	1.0
197.11848	6.0
213.15010	2.4
221.15485	1.5
231.17400	1.2
239.16504	2.5
247.13242	1.5
263.60037	1.1
291.19656	10.5
305.21497	1.1
307.19269	1.5
315.27048	2.4
323.22287	29.0
324.22702	2.5
325.25455	3.8
333.27991	2.0
341.24734	2.0
343.26550	3.5
359.25888	3.0
369.24359	5.1
377.27209	1.3
387.25394	9.0
405.26584	100.0
406.22559	1.2
406.26929	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	405.265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16624	0.6
59.01375	2.9
61.98825	1.9
80.02590	0.8
83.05024	1.4
85.06589	20.7
98.19886	2.4
111.04515	10.6
129.05580	100.0
130.05884	3.2
170.07846	0.8
275.20227	3.1
293.21274	7.4
398.97327	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.2
61.98829	100.0
69.17435	6.1
75.00885	0.7
81.49998	0.7
91.28043	0.6
98.20682	1.0
99.92585	0.8
115.92066	1.0
116.32438	0.7
119.42755	0.6
158.57642	0.6
165.07585	0.6
210.68213	0.6
255.53065	0.6
336.95416	0.7
386.08911	0.7
407.11902	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	6.9
58.00602	1.9
59.01381	35.5
61.98828	8.9
64.32381	0.9
67.57880	0.9
69.03455	1.4
70.68618	2.5
71.01382	9.9
71.05019	2.8
72.99299	2.1
73.02942	5.0
75.00867	2.4
76.64857	0.8
78.84192	0.9
83.01357	1.2
83.05031	1.9
85.02946	7.5
85.06597	3.0
86.86317	0.9
87.00877	1.8
87.04504	14.7
89.01998	0.8
89.02429	5.1
95.05022	1.8
96.96015	3.4
97.06584	3.2
99.04542	2.3
101.02437	5.0
101.06070	5.0
109.02929	1.1
109.06607	3.0
111.08168	1.9
113.02488	2.5
115.00391	1.7
115.07640	3.5
119.03522	2.2
119.05019	1.4
121.02944	1.3
123.08133	4.3
125.09720	6.0
127.11301	1.2
129.09300	1.3
133.01431	1.3
135.04515	1.2
135.08173	2.6
136.52611	0.9
137.02432	2.1
137.09695	3.3
138.06757	1.0
139.11293	5.3
141.09207	1.3
145.08731	1.1
149.09753	1.2
152.01082	1.1
153.09219	6.1
155.10815	4.0
159.10262	1.7
161.04582	2.5
163.04080	1.3
165.05428	1.1
167.10817	1.1
169.12308	1.0
171.10255	39.4
172.10635	1.7
173.08221	2.7
173.11816	2.1
175.07593	1.1
179.07118	1.1
181.12355	5.3
183.10286	8.0
184.11011	0.8
185.11865	1.1
187.07693	1.2
187.09761	4.3
195.13861	1.2
199.09712	1.8
199.13387	3.2
201.11313	38.0
202.11768	1.5
203.07156	1.1
203.10989	1.4
203.12839	13.4
207.10309	1.0
215.12878	1.4
217.10773	12.1
218.11177	1.2
225.09488	0.9
225.11377	4.0
233.13921	8.0
243.12395	29.5
243.16039	13.7
244.12683	3.1
244.16315	1.1
245.08217	2.8
246.11316	1.4
251.16544	1.1
255.16074	1.6
267.07721	1.1
269.17639	1.5
273.08026	1.6
281.09277	1.7
283.10837	1.3
285.13547	1.7
289.07254	1.2
290.04276	0.9
295.07230	1.2
296.07700	1.3
305.21097	1.9
308.54263	0.8
311.10406	6.9
315.78018	0.9
319.21347	1.1
329.11380	9.0
357.22751	1.0
363.23853	2.4
369.22647	1.1
373.10144	1.1
387.18771	1.4
387.20258	0.6
387.23865	39.9
388.24176	4.3
405.12012	7.7
405.16357	2.7
405.25009	100.0
406.25497	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	405.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	6.9
58.00602	1.9
59.01381	35.5
61.98828	8.9
64.32381	0.9
67.57880	0.9
69.03455	1.4
70.68618	2.5
71.01382	9.9
71.05019	2.8
72.99299	2.1
73.02942	5.0
75.00867	2.4
76.64857	0.8
78.84192	0.9
83.01357	1.2
83.05031	1.9
85.02946	7.5
85.06597	3.0
86.86317	0.9
87.00877	1.8
87.04504	14.7
89.01998	0.8
89.02429	5.1
95.05022	1.8
96.96015	3.4
97.06584	3.2
99.04542	2.3
101.02437	5.0
101.06070	5.0
109.02929	1.1
109.06607	3.0
111.08168	1.9
113.02488	2.5
115.00391	1.7
115.07640	3.5
119.03522	2.2
119.05019	1.4
121.02944	1.3
123.08133	4.3
125.09720	6.0
127.11301	1.2
129.09300	1.3
133.01431	1.3
135.04515	1.2
135.08173	2.6
136.52611	0.9
137.02432	2.1
137.09695	3.3
138.06757	1.0
139.11293	5.3
141.09207	1.3
145.08731	1.1
149.09753	1.2
152.01082	1.1
153.09219	6.1
155.10815	4.0
159.10262	1.7
161.04582	2.5
163.04080	1.3
165.05428	1.1
167.10817	1.1
169.12308	1.0
171.10255	39.4
172.10635	1.7
173.08221	2.7
173.11816	2.1
175.07593	1.1
179.07118	1.1
181.12355	5.3
183.10286	8.0
184.11011	0.8
185.11865	1.1
187.07693	1.2
187.09761	4.3
195.13861	1.2
199.09712	1.8
199.13387	3.2
201.11313	38.0
202.11768	1.5
203.07156	1.1
203.10989	1.4
203.12839	13.4
207.10309	1.0
215.12878	1.4
217.10773	12.1
218.11177	1.2
225.09488	0.9
225.11377	4.0
233.13921	8.0
243.12395	29.5
243.16039	13.7
244.12683	3.1
244.16315	1.1
245.08217	2.8
246.11316	1.4
251.16544	1.1
255.16074	1.6
267.07721	1.1
269.17639	1.5
273.08026	1.6
281.09277	1.7
283.10837	1.3
285.13547	1.7
289.07254	1.2
290.04276	0.9
295.07230	1.2
296.07700	1.3
305.21097	1.9
308.54263	0.8
311.10406	6.9
315.78018	0.9
319.21347	1.1
329.11380	9.0
357.22751	1.0
363.23853	2.4
369.22647	1.1
373.10144	1.1
387.18771	1.4
387.20258	0.6
387.23865	39.9
388.24176	4.3
405.12012	7.7
405.16357	2.7
405.25009	100.0
406.25497	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	405.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	9.6
57.68152	9.4
59.01379	56.9
60.06737	8.5
61.30154	9.0
61.98837	84.8
71.55597	8.9
71.56024	10.3
75.00886	100.0
78.95900	25.2
79.95728	9.3
85.25594	8.6
92.15917	8.6
96.96022	22.6
96.96953	45.4
97.06616	24.4
97.93115	23.8
98.90707	11.0
114.93449	17.0
150.14865	8.3
151.11249	13.8
165.11597	9.2
165.12895	22.1
176.08656	9.9
181.12320	24.3
185.34630	8.0
185.50436	8.5
185.63490	9.9
209.11838	90.0
245.19020	14.1
284.39313	8.5
289.18268	23.6
291.19629	18.4
307.19128	40.3
328.13126	9.1
329.21274	16.2
341.24536	8.9
369.23981	14.4
405.26755	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	80.5
61.98835	100.0
71.55521	33.8
74.77225	20.9
76.01195	15.8
86.29562	16.2
88.98822	19.3
94.92492	27.2
96.96045	21.5
102.22631	18.5
218.18777	17.7
230.58759	20.2
237.14786	21.1
247.66125	18.5
281.57733	18.7
286.00620	17.9
291.19586	30.1
329.21152	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2127
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01864	1.9
57.03450	1.1
58.00594	0.9
59.01379	38.5
61.98827	12.6
70.30291	1.1
70.30672	0.9
71.01383	20.2
72.99300	2.3
73.02944	4.0
78.95889	1.3
79.66806	0.5
81.49972	0.7
83.01376	2.6
85.02943	7.5
85.06567	2.4
87.00924	0.8
89.02439	11.8
95.01363	1.8
96.96055	0.6
97.06618	0.7
99.00865	2.7
101.02440	13.5
113.02450	6.7
119.03471	4.6
129.01935	1.7
133.03030	0.7
134.03714	0.8
155.14430	5.4
161.04529	1.3
162.51567	0.6
163.03934	0.8
173.06047	0.9
174.31523	0.6
175.04048	0.8
181.12320	1.0
181.15930	3.9
187.07487	0.9
191.03534	0.7
198.03175	0.6
199.07639	0.6
199.13391	14.6
208.70374	0.6
225.11372	1.4
225.14886	3.1
227.07147	1.3
233.08316	0.6
243.15991	1.0
245.08157	1.0
246.09048	0.7
286.97537	0.6
290.07986	1.3
308.05307	1.1
387.14865	0.6
387.19864	0.7
404.11401	0.6
405.21237	100.0
406.16537	0.9
406.21536	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	405.2128
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01873	1.6
57.03446	1.3
58.00589	1.1
59.01382	35.3
61.98827	8.7
69.29993	1.9
69.30431	2.3
71.01379	20.7
72.99306	1.7
73.02947	3.5
77.28242	0.5
79.95728	0.9
83.01379	3.5
85.02943	7.2
85.06574	2.4
87.00869	1.0
89.02439	13.0
95.01387	1.8
96.96008	18.9
99.00868	4.1
101.02441	12.6
113.02451	7.6
115.00334	0.5
119.03505	4.6
121.03145	0.4
132.31178	0.5
134.03717	3.6
135.04530	1.3
143.03506	0.8
152.98625	1.2
155.14444	5.6
161.04518	1.1
179.05576	1.0
181.12369	0.7
181.16006	3.5
193.05017	0.5
199.13387	13.4
200.13734	0.6
225.02805	0.6
225.14955	6.5
241.00215	5.3
242.00386	0.6
245.08127	1.0
279.68521	0.6
289.07236	3.9
290.07858	0.6
308.05307	0.7
319.36707	0.6
343.20941	0.6
345.19055	3.2
405.09006	9.1
405.21265	100.0
406.21683	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	405.2127
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01865	1.1
57.03430	1.3
58.00586	1.5
59.01378	56.7
60.01716	0.6
61.98811	1.4
62.22648	0.5
63.67490	0.5
70.95230	0.4
71.01380	39.9
72.01704	0.7
72.99302	2.1
73.02944	1.2
73.73709	0.6
83.01381	1.4
83.82116	0.4
85.02508	0.6
85.02954	6.2
87.00877	1.4
89.02441	30.9
89.03952	0.7
90.02769	0.8
95.01357	1.8
99.00881	0.7
101.01791	1.0
101.02440	19.9
106.00209	0.4
113.02445	11.3
113.03236	0.6
115.00344	0.6
117.03454	0.7
119.03496	13.0
127.11269	1.6
131.03468	1.3
133.01456	0.6
134.03706	2.0
135.04495	1.1
139.11308	1.0
143.03452	1.6
149.04584	0.6
153.12862	6.6
160.80913	0.5
161.04520	1.8
179.03577	0.6
179.05580	3.2
181.12215	0.7
191.61958	0.5
199.13370	4.8
225.14954	3.9
229.71950	0.6
243.12338	0.6
259.42026	0.5
289.07169	3.3
327.52917	0.5
405.21234	100.0
406.21619	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	405.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
59.01375	8.8
61.98814	0.5
71.01390	2.2
71.06715	1.0
73.02934	3.6
83.05005	0.5
83.37953	0.5
85.02943	1.2
87.04481	1.1
89.02443	1.5
99.95537	0.4
101.02404	0.6
102.24326	0.5
113.02454	1.7
119.03470	0.8
121.64371	0.4
123.08162	0.5
125.09742	3.1
143.04625	0.9
150.05609	0.5
151.11192	0.7
157.08734	0.7
161.04594	1.1
163.11320	2.2
169.12318	1.2
177.03358	2.5
181.12325	15.6
182.12663	1.0
183.10329	0.6
197.11798	0.6
199.07628	1.0
199.13394	8.5
200.13673	0.6
213.11401	0.7
225.11307	6.0
243.12349	100.0
244.12689	6.9
257.13916	1.4
267.07761	0.9
267.12289	0.7
281.09375	1.9
285.13458	2.9
286.13947	0.6
293.09393	1.4
295.07147	0.6
296.08081	1.6
311.10339	8.7
312.10660	0.8
329.11331	3.4
373.10709	0.6
405.12784	1.8
405.17645	7.1
405.22763	0.7
405.24780	0.4
406.18396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2127
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01881	1.6
57.03445	11.9
58.00594	3.7
58.02982	2.2
59.01377	100.0
60.01705	0.7
61.98824	5.3
69.03416	0.9
70.02979	0.6
71.01380	67.6
71.05036	1.2
71.50329	0.6
71.54211	0.9
72.01720	1.5
72.99302	5.0
73.02946	5.9
74.02475	5.1
83.01405	3.9
83.05041	0.7
85.02950	15.5
86.02497	3.7
87.00896	3.9
87.04486	0.8
87.05679	1.1
88.98799	0.8
89.02443	73.2
90.02776	1.0
95.01394	4.7
96.96016	2.6
97.02943	0.7
97.04108	0.7
99.00907	2.2
99.05646	4.5
101.02438	40.5
101.07218	0.9
102.02766	0.7
102.05631	1.1
109.04066	0.7
112.04042	1.3
113.02452	28.3
119.03498	35.0
119.05022	3.8
120.03793	0.8
122.03743	1.0
123.03284	1.4
123.08160	2.2
124.04077	0.7
125.02558	0.7
125.03585	0.9
125.06102	2.0
127.05180	1.4
128.03534	11.7
129.02048	0.6
131.03493	2.8
133.06909	2.9
135.05659	1.3
138.05603	6.9
141.06697	0.7
143.03494	7.1
143.04633	15.6
143.05748	0.8
144.04584	1.5
145.06268	0.9
146.04584	2.1
149.04570	3.4
153.06709	0.8
159.03018	1.4
160.04076	0.6
161.04550	15.1
163.04005	1.8
163.11452	0.8
167.08302	1.0
167.10728	6.4
179.04343	1.4
179.05780	10.5
181.06226	1.0
183.69949	0.6
185.05638	0.7
190.05110	1.9
197.05695	0.9
202.05191	0.8
204.06723	2.6
210.08841	4.3
220.06181	2.0
222.07712	4.4
241.00275	2.1
243.15997	10.2
244.16374	0.7
254.07793	8.0
272.08893	9.4
277.12354	1.0
303.14526	1.9
311.10117	0.8
319.15790	5.0
329.11218	1.1
345.15421	0.9
373.10571	1.1
388.15472	1.0
405.21378	59.7
406.16589	13.7
406.21555	6.0
407.77618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70590	0.6
56.92706	0.5
57.03436	1.8
59.01378	50.8
59.27452	0.5
60.01719	0.8
60.99311	0.5
61.29973	0.5
61.98856	0.6
69.63819	2.1
69.64223	0.9
71.01382	4.1
71.04966	0.5
73.02950	2.4
73.61323	0.6
85.02959	3.6
87.00901	0.6
87.04516	0.6
89.02440	1.7
92.82887	0.5
95.01383	0.9
98.19928	1.3
101.02454	3.6
113.02454	5.8
139.11288	18.4
140.11633	0.9
141.12939	0.6
143.03481	0.7
161.04549	1.6
165.09219	1.1
165.84038	0.5
181.12329	11.1
183.10248	23.7
184.10551	1.7
199.13377	5.0
225.11328	10.9
226.11598	1.3
243.12352	100.0
244.12660	7.2
257.13910	1.9
281.09412	0.8
285.13419	34.7
286.13742	2.9
297.13571	0.7
311.10352	2.4
315.14426	1.2
345.15552	3.8
387.16489	1.9
405.17599	13.2
406.18051	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03920	0.3
57.03436	1.0
58.00592	0.4
59.01376	24.2
63.19146	0.3
69.03463	0.3
70.23479	1.1
71.01371	0.9
73.02948	1.9
83.01371	0.5
84.54124	0.3
85.02934	0.7
85.82383	0.3
89.02448	0.4
98.20557	0.4
101.02431	0.9
103.18963	0.3
113.02427	0.6
129.05536	0.7
139.11285	19.7
140.11636	0.9
163.11267	1.0
165.09183	0.9
176.13026	0.3
181.12328	12.3
182.12651	0.5
183.10248	23.9
184.10576	0.9
199.13402	6.4
199.15114	0.7
225.11281	6.6
226.11591	0.6
243.12346	100.0
244.12701	6.7
249.11298	0.8
285.13394	2.7
405.12488	0.2
405.17627	6.8
405.23227	0.7
406.18100	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21243	5.6
56.33146	5.4
57.03442	6.3
59.01381	100.0
59.04506	5.9
61.98818	17.1
66.94841	6.3
69.43237	40.9
71.01369	21.8
72.75702	5.2
73.02963	15.1
85.02936	12.9
89.02448	19.8
90.86184	6.0
93.87720	6.5
101.02440	16.6
113.02447	11.4
119.03460	8.0
119.04955	6.1
137.02440	16.6
150.91389	6.4
157.08696	10.4
161.09662	7.8
183.10286	5.8
187.09549	6.0
201.11305	12.6
203.07222	7.9
205.08655	17.0
209.11775	6.1
243.06471	5.7
243.12363	17.3
278.73535	6.4
319.21295	11.1
320.60663	7.4
344.41040	6.3
405.11993	12.7
405.16599	22.5
405.25403	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29646	6.2
56.70519	6.3
57.03458	6.9
59.01380	59.9
59.90873	7.1
61.98832	100.0
71.01374	40.6
71.55158	10.2
79.99049	6.8
89.02457	8.1
96.96014	76.1
96.99328	6.7
97.02950	6.9
100.27782	6.4
101.02412	16.0
101.04456	6.3
108.52603	6.4
113.02473	7.3
115.00344	6.8
115.44596	7.4
121.02920	7.6
121.06546	7.2
129.01920	9.6
133.01416	14.0
133.02943	8.1
134.03763	15.3
135.04564	40.8
137.02431	9.3
149.02371	8.2
159.04535	9.2
175.03864	6.8
175.07608	9.0
177.01923	11.5
178.02678	29.5
179.03481	13.8
187.07498	12.6
213.09225	12.4
227.07054	18.5
231.10410	8.1
241.00101	14.6
245.08170	14.0
246.08926	9.6
263.05338	8.9
275.09326	10.9
289.10785	31.4
290.07944	13.8
308.05573	7.1
405.08450	26.9
405.16473	63.1
405.21014	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	405.168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21243	5.6
56.33146	5.4
57.03442	6.3
59.01381	100.0
59.04506	5.9
61.98818	17.1
66.94841	6.3
69.43237	40.9
71.01369	21.8
72.75702	5.2
73.02963	15.1
85.02936	12.9
89.02448	19.8
90.86184	6.0
93.87720	6.5
101.02440	16.6
113.02447	11.4
119.03460	8.0
119.04955	6.1
137.02440	16.6
150.91389	6.4
157.08696	10.4
161.09662	7.8
183.10286	5.8
187.09549	6.0
201.11305	12.6
203.07222	7.9
205.08655	17.0
209.11775	6.1
243.06471	5.7
243.12363	17.3
278.73535	6.4
319.21295	11.1
320.60663	7.4
344.41040	6.3
405.11993	12.7
405.16599	22.5
405.25403	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38189	5.3
56.87584	4.6
59.01381	100.0
61.98831	42.2
69.74345	24.7
71.01381	36.4
72.99311	5.2
73.02943	9.9
85.02945	10.5
87.00866	5.4
89.02443	14.3
93.03454	6.1
96.95975	5.9
98.19971	8.8
101.02460	14.5
103.62818	5.7
105.52551	5.9
113.02444	7.7
117.03477	10.2
119.05067	11.2
129.01955	10.0
134.03738	24.9
135.04494	14.7
150.03242	14.3
150.05609	6.6
157.39204	5.0
165.05551	12.3
175.03964	6.1
175.07518	7.3
176.03522	5.1
179.03435	9.4
187.07561	5.5
195.06598	16.9
198.06822	14.1
199.13542	5.2
215.07062	6.3
241.46576	6.6
242.05911	8.4
243.12292	12.1
245.08195	11.8
246.11275	9.1
289.07083	39.1
325.15292	6.5
337.50949	5.7
345.09741	5.5
405.11838	17.2
405.16370	11.5
405.20935	17.6
405.24850	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	6.1
61.98820	5.9
65.47805	1.4
71.01398	1.4
71.55608	2.4
74.46411	1.2
75.00885	3.1
76.06462	1.4
78.95901	18.6
79.95740	5.6
93.03442	4.2
94.93886	1.4
96.96012	100.0
96.96942	31.8
97.93126	5.1
98.90661	2.5
111.04524	2.8
113.92606	6.6
114.93389	5.1
133.02966	3.4
134.03668	2.0
143.59178	1.5
177.01949	3.9
178.02667	4.7
287.16306	1.8
289.18094	15.9
307.19141	3.5
345.13779	37.0
346.14111	3.7
359.11584	1.4
377.12857	14.7
387.10577	1.9
405.16049	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	405.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11401	0.9
54.82553	1.0
57.03450	1.2
59.01380	28.0
61.98822	2.6
67.57635	1.0
69.64696	2.0
69.65105	3.8
71.01379	7.4
73.02943	2.0
83.01400	1.0
85.02947	2.5
87.04515	1.3
89.02444	4.4
99.05628	1.8
101.02460	3.4
113.02444	2.9
119.03464	1.8
119.05016	2.2
125.09747	1.1
135.08168	1.2
143.04637	3.2
148.04051	1.2
148.27969	1.1
150.05583	1.7
160.04155	1.4
161.04602	1.8
163.11324	1.5
165.05537	1.4
171.10269	2.4
177.03331	7.4
181.12317	4.9
183.10243	4.4
195.06612	1.4
199.07689	1.5
199.13437	5.3
201.11395	1.3
210.05577	1.6
222.09158	1.1
225.11351	1.4
226.05090	1.4
227.05869	2.0
227.08264	1.9
227.12021	1.4
228.06595	2.8
238.07449	2.3
239.08110	2.0
240.05255	1.0
241.07576	1.5
241.10269	1.1
243.12383	27.0
244.12715	2.0
250.07539	1.1
251.08188	1.1
253.09825	3.4
255.07700	1.5
255.11427	2.0
256.06100	1.7
256.09802	1.5
263.08240	2.7
265.06268	1.7
265.09802	3.7
266.06976	4.6
267.07706	11.2
267.11371	3.8
268.09964	1.7
269.09360	2.1
273.08868	1.7
275.08350	1.2
278.06943	3.2
279.07712	2.0
281.06180	1.2
281.09271	33.5
282.06482	1.3
282.09613	2.4
283.07294	1.6
283.10757	5.5
285.12561	7.4
286.10794	2.4
292.08508	1.4
293.09366	16.8
295.07224	9.4
296.07962	12.1
297.08521	3.5
298.08917	1.2
311.10367	100.0
312.10648	9.4
329.11401	31.8
330.11688	2.0
343.12781	2.7
361.18735	1.3
373.10364	7.6
387.11874	1.6
405.12860	12.7
405.17596	4.9
418.01581	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.119
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
54.68727	0.5
55.01890	0.6
57.03491	0.7
58.00652	0.7
59.01381	22.9
61.98829	9.2
68.99837	0.6
69.03089	1.5
69.03454	43.2
69.76075	2.9
70.03809	1.2
71.01380	17.3
72.98963	0.6
72.99339	1.6
73.02995	1.6
73.61184	0.5
75.25595	0.5
79.01462	0.9
79.01891	25.4
79.95755	0.6
81.03516	2.3
83.01436	1.1
85.02946	5.5
87.00931	1.7
89.02435	11.9
89.03977	0.7
93.03495	1.4
95.01383	10.2
96.01753	0.7
96.96062	1.3
97.02948	25.6
98.20559	1.1
100.16242	0.6
101.02438	5.7
107.01390	57.6
107.05077	1.1
108.02213	9.9
109.02956	5.4
109.06506	0.6
113.02436	4.2
115.00404	1.0
115.04077	1.1
117.03484	1.3
119.03488	4.4
119.05059	1.4
120.01286	0.5
121.02943	6.3
121.03726	0.6
122.31766	0.7
123.00885	14.3
123.04533	0.9
125.02445	52.8
126.02820	1.5
127.11368	0.5
129.02042	0.5
129.67329	0.5
131.03563	0.6
133.01434	1.1
133.03004	2.6
133.73726	0.5
134.03749	5.0
135.00922	2.4
135.04541	4.6
136.01672	5.7
137.02435	5.2
139.11290	1.0
143.03520	1.1
147.04541	0.7
149.02443	4.3
150.03235	0.8
150.05626	1.2
151.00365	72.4
152.01068	3.6
153.01930	16.2
153.03134	1.0
153.12865	1.4
153.98634	0.6
154.02419	0.5
159.04498	0.5
161.02519	0.8
161.04584	1.7
163.03984	7.3
165.01964	0.7
167.03365	0.6
174.03271	0.6
175.03926	1.0
175.07668	1.5
177.01932	11.6
178.02660	1.0
179.03502	1.8
179.05643	1.6
187.07736	1.2
191.03458	0.8
194.02203	0.9
197.06088	4.8
198.06659	1.0
199.07648	0.8
199.13412	1.6
207.03003	1.2
215.07143	1.1
219.03004	1.2
225.14941	1.8
227.07079	0.8
242.05835	100.0
243.06578	55.9
244.06940	3.5
245.08183	1.2
246.11348	0.9
255.06422	0.6
285.07635	6.4
289.07147	6.4
290.07352	0.8
297.06076	20.7
298.06424	0.9
343.24808	0.7
405.11990	22.4
405.21057	37.6
406.12082	2.3
406.21652	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	404.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45784	0.4
59.01377	5.2
60.77182	0.4
61.98829	100.0
71.01395	1.2
80.96506	0.4
81.72166	0.5
82.37135	0.5
101.02443	0.5
115.00373	0.5
133.03008	0.4
134.03778	0.5
135.04486	0.5
142.22566	0.5
154.04868	0.4
161.02301	0.5
161.06267	0.4
178.02675	1.0
213.11418	0.6
215.07094	0.5
227.07079	0.4
231.05533	0.4
239.72797	0.4
263.05646	0.7
308.05310	0.8
341.19690	0.4
368.24219	1.9
373.25974	0.6
382.96561	0.4
404.19022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05833	0.3
56.79524	0.3
59.01372	1.3
59.34425	0.3
65.10243	0.3
65.23360	0.3
69.89129	1.6
69.89524	0.6
71.01381	1.2
73.02939	0.5
74.41303	0.3
79.89563	0.4
79.95725	2.8
80.96526	1.6
85.02936	0.4
87.00898	0.8
87.67418	0.3
93.03471	0.5
96.96008	23.6
98.20602	0.4
99.00889	0.4
101.02422	1.8
113.02455	1.5
118.79021	0.3
119.05023	100.0
120.05355	4.0
137.96259	0.5
138.17613	0.3
138.97058	1.4
141.50963	0.3
150.35463	0.3
150.97058	0.6
152.57350	0.3
163.04004	58.7
164.04350	2.9
166.96533	0.9
183.10286	0.4
241.00220	57.7
242.00595	2.1
347.20010	0.4
355.18683	0.4
405.04950	10.3
406.05304	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.52515	0.3
69.79331	0.5
69.79726	0.6
83.10342	0.3
98.20547	0.4
116.56550	0.2
119.05048	0.9
120.74267	0.2
163.04002	0.4
232.02315	0.3
234.27208	0.3
241.00125	0.6
308.49661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08201	1.6
59.01377	8.9
60.25047	1.8
61.98826	100.0
71.20956	1.5
71.55522	2.6
87.00870	2.6
88.98791	6.1
89.02447	4.6
127.11800	2.3
266.76114	1.7
293.88373	1.8
315.19354	6.5
322.86362	1.7
329.21161	1.7
331.80933	1.5
343.10464	2.0
404.25107	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	404.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30383	0.2
61.98829	100.0
62.98528	0.2
63.47346	0.2
69.43649	0.4
69.44064	0.9
76.87838	0.2
77.92638	0.2
79.86627	0.2
124.16328	0.2
234.11992	0.2
235.85146	0.2
404.10754	0.2
428.90393	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95498	1.5
56.47569	1.2
59.01381	47.4
61.63192	1.6
61.98817	6.3
69.25842	14.2
71.01338	1.7
71.41190	1.5
93.03452	2.2
95.05025	43.8
96.05337	2.1
128.10158	1.6
132.91364	1.6
141.01691	2.2
150.02963	2.2
195.01443	1.6
207.17519	1.9
223.17003	10.2
251.16498	8.1
256.16632	2.5
274.15567	12.1
280.42621	1.7
291.11029	2.7
303.23282	5.4
306.14478	89.4
307.14804	7.1
321.24332	100.0
322.24677	9.5
343.22513	26.7
344.22919	2.2
366.15390	9.0
385.23865	2.6
386.24838	1.8
403.24567	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	403.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09919	0.5
59.01377	100.0
67.03181	0.5
69.88319	2.8
133.03033	0.5
134.03764	3.1
143.49396	0.5
192.04344	2.0
258.80353	0.5
330.88312	0.5
372.41245	0.6
384.48352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41627	0.6
57.03446	4.2
59.01378	38.5
59.01656	1.2
60.01684	0.8
61.98803	0.9
69.03413	1.1
69.36179	3.6
71.01341	1.0
71.05024	4.0
73.02903	1.6
83.05008	3.4
84.02133	1.8
85.02943	3.2
85.06577	8.4
87.08115	0.7
95.04982	2.1
97.06599	2.8
98.19862	1.0
99.04511	0.5
101.06075	7.4
109.06570	0.6
111.08134	0.9
113.06061	2.5
115.07646	15.8
116.07965	0.6
123.08129	1.8
125.05980	0.6
125.09715	3.8
137.09645	1.6
141.09163	1.6
145.08649	1.8
151.11258	0.8
153.12807	1.4
155.10651	0.5
163.11221	1.5
165.12828	14.9
166.13133	1.1
166.43893	0.5
181.12329	10.0
183.13913	6.2
197.11804	0.7
199.13461	1.1
205.15961	1.1
209.11658	0.6
227.12891	3.6
245.13904	4.7
343.21201	29.8
344.21573	2.9
346.65231	0.5
361.22275	100.0
362.22610	8.7
403.11920	1.9
403.23328	89.3
404.23630	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	403.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98847	14.3
63.34381	2.0
71.11725	4.2
72.99302	3.6
73.50491	2.0
73.92431	1.7
79.95743	21.8
80.57914	1.9
80.96541	2.6
94.92509	8.0
95.95215	3.2
96.96015	41.2
97.02911	3.1
123.55051	2.0
133.02957	3.9
133.42818	2.1
134.03722	2.3
191.03770	2.9
192.04272	6.9
196.76978	2.0
380.86124	2.0
403.12061	2.9
403.17746	25.0
403.24335	2.9
404.18637	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	403.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.7
59.01380	41.8
60.01686	0.5
68.21227	0.4
69.03433	1.5
69.26123	3.8
71.01348	0.9
71.05016	3.8
73.02926	1.9
81.03431	0.5
83.05028	3.8
84.02152	1.0
85.02947	3.5
85.06580	5.5
87.08112	0.5
89.02454	0.6
94.06932	0.4
95.04999	1.6
97.06547	1.1
101.06073	8.3
102.02865	0.4
103.15569	0.4
111.08119	1.0
113.06052	1.5
113.09703	0.6
114.34918	0.4
115.07652	14.8
119.03442	0.5
123.08131	1.4
125.08965	0.4
125.09723	4.8
137.09683	0.8
141.09189	1.4
145.08655	0.7
151.11266	1.3
153.12830	1.6
155.10678	0.7
163.11223	1.0
165.12840	20.1
166.13168	0.9
179.00259	0.4
181.12334	10.9
182.12653	0.5
183.13878	7.2
184.14104	0.5
199.13336	0.8
227.12878	4.0
241.10809	1.6
245.13948	4.0
263.20401	0.5
299.22125	0.5
306.84338	0.4
343.21234	30.6
344.21634	3.0
361.22293	100.0
362.22623	10.3
403.23349	93.5
404.23624	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	403.1246
Annotation	10-Acetylmonomelittoside
Peak:m/z	Relative Intensity
55.01865	0.7
57.03451	0.7
58.00575	0.6
59.01379	28.0
61.98832	12.4
67.01893	0.8
69.99743	0.6
70.00084	2.5
71.01380	13.7
72.99298	1.8
73.02952	1.5
79.76733	0.5
83.01390	2.1
84.99299	0.5
85.02975	3.2
85.03390	0.5
87.00874	1.3
89.02444	14.0
92.04334	0.5
95.01384	3.6
96.96010	6.7
96.96993	0.8
99.00848	0.7
101.02435	10.8
103.50452	0.5
104.82913	0.5
108.02193	3.6
109.02971	1.1
111.00901	2.8
111.89598	0.5
112.98836	1.0
113.02441	5.5
117.18589	0.5
119.03510	6.7
121.02921	0.9
123.00895	11.3
123.04512	2.3
127.00369	3.2
131.03523	0.6
136.98805	2.3
137.02425	3.3
138.03232	7.1
139.00389	10.1
151.00380	1.0
152.01122	6.7
152.04761	1.2
153.01823	0.6
153.05579	2.8
154.02702	1.1
161.02499	1.2
161.04504	1.3
163.90892	0.5
165.01923	10.2
166.02637	0.6
167.03482	13.2
177.01894	1.3
178.02287	1.2
179.03511	1.3
180.04256	4.9
181.04984	0.7
193.01416	20.3
194.01796	0.8
195.06630	1.8
205.12346	0.8
207.02969	2.8
208.03757	39.8
209.04103	2.2
223.06105	100.0
224.06451	6.1
241.07193	1.1
305.12506	0.8
403.11551	8.5
403.16205	5.9
404.12344	0.8
404.17102	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	79.5
60.31853	3.7
61.98832	41.6
69.51726	13.0
69.52135	17.6
79.95741	71.8
94.92513	9.0
96.96014	100.0
98.19850	4.4
102.75968	4.3
129.09296	3.8
133.02870	5.7
141.67772	3.9
191.03815	9.1
192.04205	20.4
215.88881	4.2
258.18924	4.1
292.49310	4.9
299.48184	4.7
303.02734	5.0
306.11011	7.4
403.12283	6.5
403.17810	77.3
404.18274	4.6
417.59180	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23253	1.2
57.03428	4.1
59.01382	48.0
61.98532	2.0
61.98832	31.3
65.99825	1.2
69.03441	3.3
71.01389	12.7
71.05019	2.6
71.70914	1.2
73.02947	12.4
75.00867	1.4
80.05042	2.2
80.96504	2.9
82.40610	1.3
83.01395	2.3
83.05036	2.4
85.02929	4.7
87.00877	3.0
87.04504	4.6
89.02459	2.0
91.10350	1.3
95.05024	2.8
97.06573	3.8
99.04544	1.6
101.02431	3.0
107.03724	1.4
108.04563	1.5
109.06589	2.0
110.71928	1.3
113.02434	2.6
115.00330	1.9
115.07651	2.9
119.03582	1.6
122.06142	7.4
124.07644	1.7
125.09672	2.9
130.03000	3.1
132.04565	19.9
133.01414	2.5
137.09711	11.7
139.11264	1.3
145.08679	5.6
147.03252	3.8
148.04041	2.5
150.05582	3.9
153.09186	4.5
155.10791	96.7
156.11089	4.0
158.02477	10.0
160.04041	12.6
161.04730	2.3
162.05574	4.6
169.12332	2.4
174.05565	1.4
176.03542	11.2
176.07230	3.1
176.63312	1.6
181.08745	1.5
184.07648	1.5
190.05093	23.7
191.05573	1.8
192.06654	2.2
196.11270	2.1
198.04108	1.7
199.09767	100.0
200.10025	5.7
204.02934	1.7
209.07230	2.4
210.09378	1.5
211.06332	1.7
211.12367	4.5
212.10779	3.8
212.12624	1.5
213.06668	2.8
213.11279	1.7
215.11839	5.8
220.02368	1.5
223.08704	5.9
224.07268	2.8
224.09537	14.3
225.06474	2.3
226.07408	3.0
227.08180	5.8
234.04005	4.4
239.08276	3.2
239.11891	29.1
240.10374	9.9
240.12361	2.1
241.09938	9.9
247.19029	1.3
252.05292	1.3
253.06155	23.4
254.06683	3.1
255.07774	4.5
255.11427	7.6
256.08566	2.0
265.09747	2.2
266.08188	1.9
267.07751	6.9
268.08511	10.7
269.09009	1.6
271.07172	1.4
281.09299	7.2
283.10870	73.9
284.11163	3.8
299.22302	2.2
309.08725	20.0
309.14606	1.4
315.13364	2.4
327.09860	86.6
328.10242	9.4
341.11200	2.7
343.21194	15.2
353.07639	5.2
359.12378	4.7
361.22333	60.3
362.22632	4.3
371.08844	78.0
372.09152	7.5
403.11383	59.8
403.18713	3.1
403.23398	52.9
404.11810	6.2
404.23755	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	402.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05705	3.2
56.69324	2.9
59.01377	8.5
60.32612	3.1
61.98826	100.0
69.63969	21.6
98.19921	6.9
110.71019	3.3
111.80242	3.3
134.39970	3.7
148.93442	3.6
163.11276	6.4
175.69650	3.8
194.64226	3.2
210.03104	3.5
228.11304	3.4
231.15468	3.6
339.23212	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	403.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38697	1.0
57.75259	1.0
57.85602	1.0
59.01377	9.8
60.42472	1.1
61.98817	4.8
69.47528	5.9
69.47935	1.9
71.01369	3.2
73.02952	1.4
76.35954	1.2
80.05067	3.1
89.02424	1.3
98.19940	2.0
101.02483	1.2
104.05091	1.1
108.04551	2.0
113.02460	1.5
122.06097	6.2
124.07617	2.0
130.02986	2.3
131.03760	1.8
132.04552	15.9
147.03235	5.3
150.05556	3.5
158.02435	9.3
160.03998	7.6
162.05591	3.2
176.03500	11.4
176.07169	2.3
183.09222	1.4
184.07748	2.1
190.05070	17.7
192.06659	1.8
196.11252	1.9
199.08736	1.6
204.03088	1.7
209.07140	2.1
211.06529	1.6
211.08743	1.6
211.12433	4.9
212.05873	3.5
212.10811	3.5
213.06580	1.6
213.10846	1.2
215.11812	5.3
217.10840	2.1
220.02573	1.1
223.08662	3.8
224.07327	2.2
224.09468	15.6
225.08167	1.9
226.07352	3.0
227.08276	8.1
234.04007	1.7
235.05028	1.3
238.08754	1.5
239.04605	2.1
239.08130	3.5
239.11888	26.0
240.10161	7.6
240.12386	2.4
241.09784	10.6
250.07492	2.4
252.05408	2.7
253.06158	25.0
253.08992	1.4
253.09943	1.6
254.06789	4.3
255.07642	4.4
255.11426	7.1
257.37378	1.2
265.09839	4.1
266.07098	1.9
267.07697	8.1
268.08408	12.0
281.09323	9.5
283.10861	71.9
284.11227	6.1
309.08765	21.7
310.09131	1.7
315.13492	1.9
320.34769	1.1
327.09845	78.0
328.10123	6.9
341.11411	3.9
341.33853	1.2
353.07773	4.7
359.12491	2.8
361.22397	2.4
371.08801	100.0
372.09082	10.7
403.11401	51.9
403.19608	3.7
403.23990	5.2
404.11731	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01724	0.7
61.98847	1.2
70.45090	1.2
70.45431	0.9
71.01385	1.4
73.02950	0.8
74.74226	0.5
78.60936	0.5
78.87298	0.5
78.95913	1.3
85.02956	0.6
89.02445	1.1
101.02483	0.8
119.05079	0.7
121.02956	5.1
140.64537	0.6
181.06636	0.7
252.22838	0.6
281.10400	0.8
313.07333	1.3
316.09036	0.6
341.10995	1.1
366.58200	0.6
401.09070	2.1
401.23465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36437	0.7
59.01378	100.0
60.01695	1.4
61.98835	3.5
69.20442	1.4
69.20837	6.2
71.01382	3.7
73.02940	1.4
84.59101	0.7
85.02950	0.7
88.02699	0.7
89.02466	1.4
96.03659	0.7
96.96011	0.8
98.20669	1.3
101.02460	2.0
103.18089	0.7
121.02949	12.5
134.61151	0.8
171.10323	1.0
181.06680	1.2
281.10321	1.2
313.07236	3.4
327.21823	1.6
341.10934	2.1
357.06241	1.5
401.08881	4.1
401.13705	1.3
401.20135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.7
59.01381	9.0
61.98829	100.0
65.79961	0.6
69.03418	0.7
69.99110	2.1
69.99518	0.8
71.01384	6.5
72.01680	0.6
73.02948	1.3
75.00880	0.7
85.02950	2.4
88.94585	0.6
89.02438	3.7
89.03952	0.8
95.01389	0.7
96.96017	4.4
101.02441	3.6
105.03456	1.3
111.23812	0.6
113.02444	1.6
119.03497	1.8
133.02945	4.4
141.09229	0.6
160.84253	0.9
161.02443	1.5
161.04546	1.9
177.01926	85.4
178.02280	4.2
181.04814	0.7
205.12320	2.0
208.03740	0.7
223.06062	0.8
223.13417	4.3
241.14401	1.6
339.07181	12.6
340.07434	1.1
342.10956	1.8
403.15900	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	401.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
57.03453	0.7
59.01377	100.0
60.01715	1.3
61.98835	1.5
69.03460	0.4
69.41226	1.1
69.41647	1.3
70.65441	0.3
71.01382	11.0
71.01781	0.6
72.99330	0.3
73.02934	1.8
79.95720	1.5
80.96529	1.0
83.01398	1.0
85.02957	2.3
87.00882	0.6
89.02435	3.8
91.30737	0.3
93.58588	0.3
95.01412	0.6
99.00906	1.2
101.02438	4.1
111.00941	0.4
112.98822	1.9
113.02444	2.4
115.00397	1.1
119.03515	0.9
119.05045	0.8
125.02420	0.3
129.01953	0.4
133.01419	0.6
134.03722	1.8
134.17387	0.3
135.04553	0.7
142.99863	2.3
143.03601	0.4
147.04539	0.4
151.78120	0.3
152.81720	0.4
158.81717	0.3
161.04596	1.0
172.61674	0.3
173.00894	2.3
179.05589	0.6
191.03477	0.7
203.61159	0.3
209.11882	1.4
227.12923	0.6
299.04468	0.3
341.10803	2.5
341.19638	0.7
342.11560	0.4
344.10150	4.3
347.15683	0.3
357.12918	0.3
359.20667	3.1
371.11374	0.4
401.12604	0.3
401.17245	0.5
401.21909	2.3
401.26404	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	401.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.27723	0.6
60.01712	0.6
67.96931	0.6
69.36060	2.7
69.36487	2.4
76.90337	0.6
84.19638	0.5
87.66559	0.6
88.29417	0.7
98.19950	1.4
117.35735	0.6
169.74052	0.7
230.95206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	55.5
61.98824	4.3
68.01081	1.8
70.06782	4.7
71.01382	37.2
84.89623	2.0
85.02953	3.2
87.00871	5.1
89.02441	55.3
98.20616	2.6
101.02441	24.8
112.40466	2.1
113.02448	15.9
119.03501	18.4
125.29072	2.0
131.03532	4.1
142.11330	1.7
142.41458	2.0
143.03487	4.3
160.06055	2.3
161.04559	4.5
179.05612	23.7
200.87032	2.0
265.07001	2.4
282.23907	2.1
341.10864	100.0
342.11212	7.2
401.10956	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	401.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47112	1.0
55.01878	3.3
57.03453	2.0
59.01108	2.0
59.01377	23.5
69.03452	1.6
69.46162	7.1
71.01382	55.0
72.01726	1.2
73.02944	23.8
83.01382	8.4
85.02950	28.4
87.00883	2.8
89.02431	9.1
95.01381	3.4
97.02974	1.9
99.00880	14.8
101.02438	45.5
102.02740	1.2
112.18310	0.9
113.02447	23.1
125.02435	1.8
129.01910	1.6
131.03522	1.3
143.03465	2.6
159.02994	6.1
161.04555	34.2
162.04802	1.4
269.10300	65.7
270.10663	3.9
291.03751	1.3
401.14502	100.0
402.14856	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1452
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01871	2.9
55.42832	1.0
56.49569	0.9
57.03441	2.5
59.01378	76.1
60.01700	1.1
61.98816	2.5
69.03442	3.1
69.40102	7.5
71.01379	48.5
72.99329	1.2
73.02948	13.0
83.01361	5.2
85.02947	14.7
87.00858	2.1
89.02445	16.4
95.01382	3.0
96.96003	2.6
97.02948	1.7
98.19839	1.1
99.00874	14.1
101.02444	26.0
101.33448	0.9
102.02808	1.2
107.05026	100.0
108.05343	3.4
113.02445	21.6
119.03467	4.4
125.02436	0.9
131.03474	1.6
133.73640	1.2
135.89850	0.9
136.05280	2.1
143.03444	3.7
159.03014	5.1
161.04549	40.3
161.05891	2.2
162.04897	1.7
164.04787	46.2
165.05135	2.1
171.10193	1.2
179.05713	4.3
179.07121	77.5
180.07465	3.8
185.00853	2.2
191.05559	1.1
195.42833	0.9
220.26210	1.0
221.11784	1.3
235.08099	2.2
253.11961	1.1
269.10330	7.3
341.10876	13.8
342.11893	1.0
401.14435	57.6
401.18372	2.3
402.14755	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	400.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48825	0.3
55.52094	0.3
59.01378	6.4
61.98829	100.0
69.26797	2.2
69.27207	0.7
71.01389	3.8
72.99340	0.4
73.43958	0.3
78.95926	0.3
82.62603	0.3
83.05992	0.3
85.02970	0.6
85.95595	0.3
87.00891	0.9
89.02450	4.7
96.96019	1.6
101.02435	2.6
104.90582	0.3
113.02443	1.7
119.03510	1.8
131.03548	0.4
154.87253	0.3
161.04515	0.4
169.21861	0.3
179.03778	0.3
179.05600	2.2
265.07266	0.4
303.90399	0.3
341.10864	10.5
363.43411	0.3
401.11230	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.7
57.03436	1.1
57.28023	0.8
59.01377	22.3
61.98821	1.5
69.03453	100.0
70.03790	2.1
71.01376	17.0
71.54807	1.4
72.99292	3.2
73.02944	6.4
79.01892	4.7
83.01384	1.9
85.02946	9.1
87.00877	1.8
89.02435	10.9
95.01391	3.8
96.96003	2.4
97.02341	1.4
97.02947	18.8
99.00879	27.5
100.01222	0.9
101.02439	9.7
113.02430	6.8
117.59122	0.8
119.03483	2.0
123.00925	1.7
133.10239	1.1
141.01941	11.3
141.09230	3.9
143.03519	0.9
151.11296	1.0
153.09175	1.8
159.02919	1.4
161.04578	4.8
171.10249	3.9
179.05577	2.7
179.10625	0.9
185.00906	85.3
186.01236	4.7
186.05496	1.2
195.10316	1.8
215.09222	9.8
221.11876	1.1
223.13501	0.8
269.10257	7.0
270.10696	1.0
341.10788	10.9
341.36572	0.8
342.10968	0.9
366.11923	1.2
401.10104	12.0
401.15408	6.2
402.11194	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	399.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35865	0.7
59.01379	100.0
60.01710	0.6
61.98823	1.4
66.57567	0.6
71.01374	0.7
74.26952	0.5
97.06654	0.6
97.63966	0.6
106.88947	0.6
125.09732	2.7
127.07650	3.4
130.21198	0.7
139.07664	2.5
153.34351	0.6
163.75032	0.6
199.13393	1.2
252.13611	4.1
255.03032	1.8
301.02869	1.0
339.21832	0.9
381.09918	1.3
399.10760	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	399.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66135	0.5
53.28432	0.4
59.01379	100.0
60.01714	1.0
61.98823	1.2
64.10403	0.5
69.69540	2.7
73.17774	0.4
83.05027	0.6
90.97176	0.7
95.05016	0.5
97.02988	0.5
97.06616	1.3
103.92058	0.6
105.01961	0.6
111.08182	1.2
118.96642	0.5
121.84605	0.5
122.89487	0.6
125.09769	0.6
132.98236	1.9
141.15889	0.5
146.99825	1.6
153.09271	0.4
165.12842	8.4
174.99242	12.1
175.00658	0.7
185.19054	0.4
189.00801	8.6
197.15637	0.8
209.11935	1.0
241.14601	0.6
252.13783	0.6
255.03096	2.0
281.10974	0.5
283.02728	1.4
291.18503	0.5
299.11682	0.6
307.08853	2.0
325.09689	5.4
381.10104	1.7
399.13632	21.3
399.18878	1.1
400.13916	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	399.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88423	0.7
59.01379	100.0
61.98829	3.0
71.01386	0.7
72.26035	0.7
87.00861	1.5
89.02490	0.9
98.90758	0.8
105.01953	2.5
106.60735	0.8
231.48253	0.7
301.03098	2.0
321.84073	0.8
381.10019	1.4
399.10999	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70149	0.3
51.61949	0.4
53.33205	0.3
57.03444	0.4
59.01379	100.0
60.01710	1.0
61.98838	0.8
62.39453	0.3
66.72353	0.3
71.01386	2.5
71.05062	0.4
71.55663	0.4
71.56057	0.5
72.99310	0.8
73.02941	0.8
74.02481	1.8
75.00905	0.4
83.05062	0.5
85.02953	0.5
89.02465	0.5
91.91206	0.3
96.13627	0.4
96.96026	0.9
97.76138	0.4
101.02466	0.6
104.03529	2.1
109.57686	0.3
111.04546	1.1
112.04076	0.9
115.07680	0.6
124.04041	0.9
134.03766	0.7
134.04732	0.4
135.03029	0.4
135.04533	0.5
137.02486	0.5
149.05852	0.5
152.03496	0.5
156.03090	1.0
156.10417	0.6
158.11839	0.8
161.04588	0.5
169.17949	0.3
171.10280	0.4
369.20267	0.9
399.21127	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	399.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.6
57.03447	4.2
58.00587	1.2
59.01376	36.4
61.98822	1.6
69.03482	1.3
69.80537	3.9
71.01379	43.8
72.01673	0.9
72.99305	1.9
73.02941	15.5
75.00867	1.0
83.01382	6.0
83.34776	0.8
85.02952	21.7
87.00896	2.3
89.02435	14.8
95.01395	3.6
96.96003	1.9
97.02960	0.9
98.20002	1.2
98.95609	1.5
99.00858	4.8
101.02441	45.8
102.02748	0.9
111.00864	1.6
113.02448	18.3
113.71588	0.9
119.03512	5.0
121.02959	8.3
125.02463	1.7
129.01927	2.1
134.03696	1.6
143.03494	2.6
145.79039	1.0
148.32378	0.9
159.02992	4.0
161.04552	31.5
162.04869	1.3
171.10258	5.8
179.05693	1.1
191.02028	0.9
193.05113	1.2
244.01675	0.9
251.11349	100.0
252.11713	5.8
261.07767	0.9
274.69162	0.9
399.12802	12.3
400.13623	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.0
57.03450	14.6
59.01377	10.3
61.98827	5.1
65.38791	0.8
66.78510	0.7
67.01882	1.4
69.03461	1.0
71.01374	11.1
71.55183	1.4
72.05171	0.7
72.05567	0.8
72.99297	1.2
73.02953	3.5
75.00865	1.6
75.76128	0.7
78.95910	2.5
82.95391	0.8
83.01382	10.7
84.02162	2.5
85.02949	100.0
86.03296	0.8
89.02437	1.8
89.03966	0.8
91.30344	0.7
92.05041	1.2
96.96031	1.8
99.00920	1.1
101.02433	6.5
109.02943	1.0
111.00876	28.3
113.02456	3.2
116.52592	0.7
117.03458	1.6
118.36159	0.8
119.03510	1.1
119.05022	6.4
120.05387	0.7
122.07801	1.0
129.01939	39.8
130.02293	1.2
134.03740	20.9
135.04478	1.1
136.04051	2.1
143.03506	1.5
149.06125	1.7
150.23717	0.9
152.99579	3.3
160.01692	1.0
161.04582	3.6
162.03247	5.6
163.03992	3.0
175.03938	1.0
177.05525	7.7
178.02760	1.8
179.05666	0.7
185.00948	1.3
187.02489	1.9
193.05043	15.3
193.08699	2.5
205.03513	26.2
223.04555	16.0
237.07710	1.2
265.65659	0.8
287.10306	1.0
295.11420	0.7
310.20496	0.7
319.08328	0.9
339.10803	0.8
363.16678	3.2
399.13089	5.1
399.26065	1.0
400.12711	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	399.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.6
57.03447	17.0
59.01381	10.3
61.98826	5.3
64.07907	0.7
67.01889	1.0
68.27365	0.9
69.03454	1.7
69.58079	5.3
71.01387	10.9
71.48878	0.8
72.99291	2.1
73.02946	3.8
75.00854	1.8
78.95897	1.4
82.95418	1.3
83.01383	9.8
84.02164	1.3
85.02948	100.0
86.03274	1.7
87.00869	1.4
89.02440	3.3
91.94836	0.9
92.05073	1.7
96.96011	3.0
99.00879	1.5
101.02441	8.0
103.18040	0.8
109.02925	1.5
111.00879	27.3
112.09164	0.8
113.02435	1.9
117.03461	2.1
119.03487	1.1
119.05007	5.6
129.01942	41.7
130.02258	1.2
130.08803	1.0
131.12604	0.8
134.03740	18.4
136.04021	3.4
147.02995	1.2
149.06035	1.5
152.99574	2.3
160.01656	1.1
161.04578	2.9
162.03207	4.9
163.03999	2.0
175.03943	1.2
177.05534	6.6
178.02679	1.1
185.00919	1.3
187.02411	1.5
193.05040	16.6
193.08612	1.2
194.05406	1.0
205.03506	23.8
206.03932	1.4
223.04584	15.8
237.07642	1.2
248.59488	0.8
267.09720	1.1
314.21518	0.9
363.16473	7.7
399.08749	1.2
399.13470	2.5
400.12527	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	397.223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98831	5.0
69.63648	21.7
71.05021	5.0
71.10248	2.8
76.88906	3.2
139.22647	4.0
155.36923	3.8
190.79567	3.5
194.93581	3.2
227.07103	3.4
300.13409	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	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.8
57.03445	18.1
59.01379	16.2
61.98831	27.6
65.86070	1.2
67.01885	1.8
68.96088	1.4
69.17229	13.8
71.01381	10.4
72.99318	8.0
72.99671	1.7
73.02909	3.1
75.00870	2.6
83.01385	11.2
84.02182	2.3
85.02946	100.0
86.03273	1.8
87.04526	4.0
89.02415	1.6
96.96027	3.6
98.19808	2.9
99.00889	2.2
101.02451	10.6
111.00869	27.8
114.09201	1.4
118.74111	1.2
119.04990	5.8
123.04467	1.7
129.01939	39.6
134.03732	10.6
135.04520	14.0
149.06102	1.8
161.04530	3.5
163.04027	6.7
165.81563	1.3
177.01923	85.7
178.02278	3.4
187.02409	2.6
191.17984	1.4
193.05092	7.1
200.99619	1.6
201.11356	4.8
205.03520	28.9
205.71292	1.5
210.98541	1.7
216.31586	2.2
219.06139	1.7
223.04570	22.9
236.96361	2.4
339.19095	2.3
363.16547	2.1
399.13837	6.2
416.90039	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	397.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.4
57.03440	1.8
59.01378	100.0
60.01738	1.0
61.98828	34.6
69.03454	3.3
71.01381	33.5
71.53696	1.4
72.99294	1.7
73.02952	11.2
74.02508	1.1
75.00883	2.4
82.95412	1.1
83.01383	8.9
85.02951	15.6
89.02442	10.9
89.40578	1.0
95.01381	2.8
96.96016	9.4
97.02959	1.7
99.00886	6.1
101.02448	32.3
111.82674	1.2
113.02451	15.8
119.03500	2.3
123.04475	1.9
135.04575	1.7
143.03508	2.0
150.64371	1.0
158.79631	1.0
159.03009	3.0
161.04539	15.7
161.06055	4.8
177.02107	1.1
179.05592	2.0
191.07094	1.7
192.00632	1.3
193.01523	1.6
199.09709	3.4
205.05042	11.5
235.06096	20.4
235.11804	12.4
236.06746	1.3
236.09221	5.9
238.75374	1.1
265.12933	11.5
337.14694	1.7
337.18628	23.5
338.18750	2.1
361.14911	2.2
397.07510	2.1
397.12070	4.6
397.17050	29.4
398.17526	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.6
57.03431	2.8
58.00579	1.6
59.01379	46.2
60.01719	0.9
61.98832	10.1
69.03441	1.7
71.01381	67.5
71.47305	0.6
71.54018	0.9
72.01709	0.7
72.99299	2.4
73.02946	23.4
75.00858	3.5
79.95728	1.5
80.30984	0.7
81.03485	0.9
83.01381	8.4
84.02134	0.7
85.02949	27.9
87.00867	3.3
89.02443	26.8
93.03461	3.8
95.01379	4.5
96.96010	57.3
97.02946	3.6
97.95909	0.7
99.00878	13.0
101.02440	53.7
101.06110	1.3
102.02758	0.9
109.02945	0.7
111.00913	1.7
113.02451	22.6
114.02793	1.1
115.04008	2.5
119.03484	2.6
125.02460	6.3
129.01942	1.9
131.03482	4.9
133.02946	1.6
137.02460	7.3
143.03554	3.3
149.04539	8.0
159.03006	6.1
159.04202	1.1
161.04543	26.4
161.05878	1.7
162.04820	0.8
167.00273	2.2
177.01924	28.6
178.02286	1.5
190.97583	0.8
191.05598	2.4
192.98129	2.9
197.12505	0.6
199.09827	0.8
205.05031	1.9
209.01312	3.5
217.00400	1.3
233.06627	4.0
234.96826	1.1
234.99197	7.6
235.06097	3.5
235.11870	6.6
251.07806	0.8
265.12906	49.8
266.13318	3.3
293.08795	2.6
299.07886	1.0
339.07175	6.3
397.17120	100.0
398.17450	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	397.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22900	0.5
56.72182	0.6
59.01370	2.7
61.98825	1.6
67.68386	0.5
68.30313	0.5
69.37484	4.6
71.01360	1.6
71.73438	0.6
73.02925	1.4
81.44167	0.6
85.02940	1.1
87.04530	1.9
98.19867	0.7
101.02446	0.6
113.02450	1.4
120.99611	0.8
124.21960	0.6
135.08173	1.0
137.09720	7.2
141.58960	0.5
142.75662	0.6
155.10777	77.3
156.11115	4.4
169.12283	1.1
181.08620	0.8
199.09753	100.0
200.10080	5.0
213.11475	1.0
234.54039	0.7
241.10809	2.3
317.06747	2.0
342.73050	0.8
361.15057	9.2
398.27817	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84462	1.7
58.00591	2.2
59.01382	94.6
59.01686	4.8
61.98833	18.8
70.38792	4.6
71.01379	52.5
72.99299	4.2
73.02934	6.4
83.01398	3.9
85.02937	13.6
87.00864	6.5
89.02450	65.2
95.01394	3.2
96.96008	7.9
101.02444	38.7
101.95317	1.9
109.02980	3.6
112.58089	1.8
113.02457	27.0
119.03517	26.0
134.04723	3.9
143.03494	4.8
145.08707	5.3
149.04538	2.1
153.01971	5.3
159.02986	2.5
161.04536	15.6
175.09750	12.7
179.05585	19.5
197.04456	2.2
199.50404	2.0
228.98820	2.0
337.15018	100.0
338.15393	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	396.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.0
61.98832	100.0
71.01407	0.6
71.54849	0.5
71.58600	0.3
73.02955	0.3
84.00922	0.5
109.06602	0.9
152.63641	0.3
171.10313	0.5
172.73943	0.3
197.85181	0.3
199.09872	0.4
205.02425	0.3
207.10332	0.6
211.13635	0.4
225.09201	0.3
225.11368	0.5
250.84001	0.3
255.69254	0.3
296.09958	0.5
305.21378	0.9
311.22174	0.5
314.23102	0.4
396.19971	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	396.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51760	0.3
54.98594	0.3
56.99027	0.3
59.01371	1.4
61.98830	100.0
68.96136	0.3
69.46095	1.8
71.01385	0.7
78.78533	0.3
82.19610	0.3
109.06595	0.7
116.07893	0.3
153.65878	0.3
160.18872	0.2
163.11385	0.3
172.52722	0.3
199.09897	0.5
207.10318	0.8
306.55902	0.3
311.22302	0.7
387.19342	0.3
396.19983	5.8
396.27982	0.4
397.20026	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90715	0.3
56.05149	0.4
56.82011	0.3
57.03437	1.6
58.00584	0.6
59.01374	9.7
61.98829	0.8
67.46671	0.3
69.81281	0.3
69.83878	0.8
69.84291	1.0
71.01376	5.4
73.02937	3.4
81.03413	0.4
83.05027	1.7
85.02950	0.5
85.06564	0.8
87.00859	0.3
87.04503	0.7
89.02449	1.6
95.05011	0.5
97.06581	1.1
99.04517	1.0
99.08098	0.4
101.02444	0.3
107.05013	1.5
109.06589	1.9
111.08160	0.6
113.06065	0.4
113.09715	0.7
115.07643	3.4
117.31084	0.4
121.06605	0.4
123.08131	2.2
125.06092	0.3
125.09687	1.4
127.11339	0.6
129.09167	0.5
133.01364	0.4
135.08086	0.4
139.07616	0.8
141.09219	4.3
143.07098	0.3
145.08667	1.5
149.09648	0.4
153.09187	3.1
155.10747	1.2
157.08722	1.6
159.10229	1.4
169.08772	0.6
171.10271	0.4
181.75954	0.4
183.10208	0.9
187.09750	7.5
195.10226	0.4
213.11324	0.4
217.10748	3.9
229.10812	1.3
229.94766	0.3
311.58862	0.3
331.21228	0.6
335.17041	0.8
349.22177	0.9
350.87613	0.3
359.20712	0.4
377.21762	5.7
378.22247	0.5
395.22803	100.0
396.23154	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	395.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98373	0.5
57.03442	0.8
58.00596	0.9
59.01377	100.0
60.01720	1.0
61.98827	0.8
69.41479	3.3
71.01378	17.9
72.99302	0.7
73.02951	5.5
75.00875	0.7
83.01390	1.8
85.02953	6.6
87.00860	0.6
89.02438	7.2
95.01395	1.3
96.95999	4.1
97.02952	0.6
99.00889	2.3
101.02431	14.2
101.04668	0.5
113.02446	7.8
119.03481	2.6
125.09695	0.7
135.04541	0.6
140.53644	0.5
143.03517	1.5
159.03038	1.9
161.04532	15.0
162.04895	0.8
256.99939	0.6
335.20746	39.3
336.21014	4.2
381.48474	0.6
395.13623	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	395.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21854	0.4
55.01876	6.4
57.03447	3.7
58.00589	1.3
59.01378	37.0
61.98837	3.4
69.03462	2.2
69.35085	2.4
69.35508	1.0
71.01381	53.3
72.01698	0.9
72.99310	2.1
73.02943	31.2
74.61633	0.4
75.00899	1.8
78.95895	0.9
79.01918	0.5
81.03448	0.7
83.01389	12.8
83.05019	0.7
85.02949	29.0
86.00080	1.1
86.03288	0.6
87.00878	3.5
89.02442	11.8
91.09708	0.4
95.01383	3.2
97.02957	2.8
98.20655	0.8
99.00875	11.7
99.08154	0.8
101.02439	62.0
101.09708	0.7
102.02777	1.4
109.98240	0.4
111.00880	1.8
113.02444	20.5
115.00390	0.6
115.04012	2.1
119.03513	0.7
123.04516	0.5
125.02441	3.6
129.01938	1.7
131.03476	3.3
134.03760	1.9
135.04547	0.5
141.01926	0.6
143.03496	2.4
149.04504	1.3
159.02997	4.5
161.04553	18.4
167.01196	0.6
171.10268	1.4
183.18982	0.4
185.00954	0.6
191.05655	1.0
209.11781	4.2
224.41702	0.4
227.12994	0.7
233.06638	3.6
237.89333	0.4
263.14972	97.3
264.15311	6.6
279.08771	1.3
293.05875	0.4
293.08893	1.2
335.64948	0.4
348.07565	0.4
356.91354	0.4
364.85754	0.4
395.19189	100.0
396.19550	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	395.1921
Annotation	Creoside IV
Peak:m/z	Relative Intensity
50.49784	0.5
50.94211	0.6
55.01870	4.2
57.03440	3.5
58.00592	1.7
59.01378	32.4
61.98833	0.6
62.18625	0.6
69.39881	2.8
69.40295	2.1
71.01382	43.2
72.99305	2.1
73.02945	26.9
75.00868	1.5
78.95928	0.6
83.01385	9.5
85.02952	21.7
86.00089	1.7
87.00874	2.4
89.02442	8.3
95.01389	2.8
97.02953	2.1
98.24910	0.6
99.00874	10.7
99.08167	0.8
101.02440	49.9
101.09706	0.8
102.02772	0.7
111.00886	1.2
112.01671	1.0
113.02448	19.1
125.02407	1.5
129.01936	1.7
131.03503	1.0
143.03464	1.3
159.02982	4.2
161.04558	15.4
192.04724	0.6
197.11897	1.1
263.14981	73.5
263.80359	0.7
264.15277	4.4
295.16049	0.8
333.53464	0.6
395.19193	100.0
396.19632	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	395.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.3
58.47821	0.5
59.01375	5.4
61.98842	0.6
66.77583	0.5
71.01376	4.4
71.55287	0.8
72.99291	0.8
75.00856	1.7
77.83825	0.6
78.69376	0.6
79.95747	4.7
80.96516	2.5
84.28497	0.6
85.02943	5.4
89.02456	1.5
95.95260	1.0
96.96007	100.0
97.02954	1.0
99.00867	1.9
101.02383	0.8
115.03996	1.0
129.01935	3.5
138.97066	1.9
152.98624	1.4
177.04024	9.7
180.98016	0.7
194.99669	1.1
206.82901	0.7
241.00301	1.3
256.99716	36.9
258.00034	1.4
395.13760	81.4
396.14029	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	395.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.0
57.03446	3.4
58.00582	1.6
59.01379	33.9
61.98836	3.1
69.03446	1.9
69.43745	1.8
69.44170	2.1
71.01382	52.4
72.01721	0.8
72.99303	2.3
73.02944	30.9
74.03252	0.7
75.00857	1.5
81.03429	0.7
83.01386	12.8
85.02948	27.7
86.00079	1.3
86.60132	0.5
87.00864	3.8
89.01925	0.9
89.02438	11.0
95.01387	4.1
97.02979	2.6
98.20670	1.1
99.00877	12.5
99.04498	0.8
99.08170	0.6
101.02442	58.1
102.02781	0.7
111.00880	1.8
113.02447	21.0
113.47147	0.6
114.02752	0.9
115.04005	1.4
119.03550	0.8
125.02448	3.2
129.01936	1.4
131.03493	2.6
134.03714	0.8
135.04395	0.5
143.03473	1.9
143.48183	0.6
149.04514	1.7
159.02988	4.1
161.03259	0.9
161.04555	17.4
167.01065	0.6
171.10242	1.4
185.00891	0.8
191.05562	0.9
195.51794	0.6
201.81355	0.5
205.03398	0.6
209.11816	4.8
227.13031	0.9
233.06656	2.7
263.14975	96.0
264.15320	5.6
279.08640	1.3
293.08786	0.9
336.74689	0.6
395.19193	100.0
396.19531	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	395.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81431	1.0
59.01377	8.9
61.98831	5.0
71.01376	3.8
71.55081	1.0
85.02954	1.4
89.02454	2.8
93.03458	1.0
96.96030	3.1
101.02429	1.9
108.93772	1.0
109.02941	3.1
113.02441	1.2
119.03473	1.8
120.01241	1.4
121.91946	1.0
123.04527	10.8
134.03725	0.9
135.04523	100.0
136.04846	3.9
137.02443	25.9
149.02411	1.4
152.01151	1.0
153.02003	1.3
153.05579	15.3
154.05873	1.2
161.02461	0.9
162.05612	0.9
179.03514	1.4
197.04520	6.0
281.90289	1.0
297.09766	7.2
315.07285	1.4
329.08615	5.1
335.13452	3.5
358.98703	1.0
359.09811	26.8
360.09830	1.8
395.02634	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.1
57.03432	4.4
59.01379	95.2
61.98831	28.6
69.45501	16.5
71.01379	82.0
71.04992	3.7
72.99303	6.6
73.02941	27.5
75.00844	2.8
77.74606	2.5
83.01376	8.2
84.95849	2.4
85.02946	31.0
87.00872	4.8
89.02443	48.6
91.45922	2.1
95.01385	4.7
96.95999	16.2
97.02935	2.9
98.20641	2.9
99.00888	28.3
101.02437	50.1
101.06076	9.9
113.02450	38.1
119.03484	13.3
123.04516	2.6
125.02394	4.0
131.03491	6.6
135.04514	6.0
143.03500	7.7
149.04562	15.2
151.04079	3.6
153.01968	3.6
159.03056	3.5
161.04544	36.6
165.01930	2.6
173.08167	3.8
179.05594	7.0
189.05539	6.8
191.05617	8.4
197.04573	13.2
233.06813	3.2
234.07568	2.4
241.00128	3.9
263.11343	42.5
264.11652	3.2
317.12390	3.1
335.13437	16.0
335.17114	8.3
359.09891	4.8
394.87219	2.7
395.11337	5.4
395.15546	100.0
396.15881	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	393.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31096	1.7
57.03452	3.0
59.01381	26.7
61.98829	50.9
66.74007	1.3
69.03441	1.7
80.91673	2.8
111.08170	1.9
113.09709	6.4
125.09715	2.1
131.06386	1.6
139.11302	8.4
171.10255	7.5
177.12685	2.3
193.08537	7.4
195.13924	1.9
197.11742	3.0
211.13361	7.0
215.10397	2.8
219.10045	19.0
233.11560	9.4
249.21693	1.5
262.11688	4.4
279.10468	2.1
289.17853	2.8
289.21384	1.7
293.21222	38.1
294.21576	2.8
300.70615	1.8
304.76547	1.7
311.22250	100.0
312.22562	7.1
312.87411	1.5
315.19330	8.8
333.20419	60.0
334.20477	5.1
336.24277	1.5
377.19406	2.7
393.22543	10.4
403.31616	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	394.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98830	100.0
67.28265	0.2
68.43998	0.3
69.57780	0.9
69.58188	0.6
71.68210	0.3
72.24357	0.2
84.00935	0.3
104.21034	0.3
127.08160	0.2
127.52299	0.2
147.66426	0.2
197.11916	0.7
199.09772	0.5
234.05159	0.3
265.07993	0.3
309.20709	0.4
394.18369	3.6
395.18576	0.5
395.28073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.0
61.98829	8.6
69.44675	5.3
71.01370	1.0
78.91885	1.1
87.05232	0.7
89.02453	1.0
95.47234	0.9
96.95975	1.5
109.02952	2.5
110.89900	1.5
123.04524	2.0
128.55338	0.8
130.06480	0.8
134.86066	0.8
135.04523	100.0
136.04881	4.3
137.02472	5.9
138.03209	3.1
153.05579	3.9
179.03517	1.1
182.02200	3.4
189.05699	1.4
197.04521	8.8
225.93419	0.9
263.05701	1.4
297.09787	4.2
315.10730	1.8
358.98520	2.9
359.09805	28.2
360.10394	2.6
395.10135	8.4
396.10577	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09964	0.8
56.37017	0.9
57.03446	3.5
58.00575	0.9
59.01378	23.1
61.98816	1.3
69.03463	1.3
69.54533	2.3
69.54958	3.0
70.79778	0.9
71.01386	1.5
75.40356	0.9
80.91689	2.3
83.05008	1.4
97.06568	1.4
99.08154	2.7
99.92593	1.1
113.09731	9.3
128.36684	0.7
129.09210	5.2
139.11267	2.0
147.11768	2.2
151.11269	2.0
153.12846	1.1
154.58224	0.8
161.60933	0.7
163.11304	1.4
165.12808	4.5
169.12358	2.6
169.67696	0.8
171.10246	7.4
181.12314	4.1
181.42076	1.0
183.13881	2.6
193.12280	1.6
197.11813	9.2
199.13362	4.7
201.11287	1.4
207.09990	6.2
211.13374	17.3
212.13757	1.7
215.10503	2.9
219.10013	20.4
223.11913	1.0
233.11563	37.1
234.11887	2.9
249.13470	3.3
251.11464	2.6
265.21906	0.9
275.20203	2.4
279.10736	1.3
293.12448	5.6
293.21268	10.8
294.12708	1.1
294.21414	1.2
311.22260	100.0
312.22623	10.0
315.19370	4.4
333.20441	31.2
334.20877	2.8
377.19345	5.6
393.22098	15.2
394.22186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
57.03430	1.6
58.00574	3.2
59.01377	100.0
59.49433	1.1
60.01696	2.4
64.79147	1.2
69.19511	1.0
69.47584	7.8
71.01379	68.8
72.99285	3.1
73.02940	22.1
83.01389	3.2
85.02943	16.7
87.00858	2.8
89.02441	86.4
95.01389	5.9
99.00877	81.4
99.01443	1.2
100.01215	2.4
101.02437	32.2
113.02445	45.6
119.03505	24.9
125.02434	1.8
131.03508	13.3
136.42685	1.3
143.03500	5.3
149.04552	42.0
161.04543	19.2
179.05612	10.9
191.05597	38.7
194.57391	1.1
233.06705	6.2
261.13321	2.6
270.34097	1.1
373.05463	1.2
393.17618	72.6
394.17892	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	393.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.7
59.01380	22.5
60.72609	0.9
61.98833	7.7
69.03451	1.2
69.59972	5.7
71.01353	0.9
80.26538	0.8
83.05022	1.5
97.02904	1.6
98.20659	0.9
98.46096	0.8
99.08141	2.7
113.09721	5.3
113.91074	0.8
125.09716	1.1
129.09192	1.8
139.11305	8.7
141.87109	0.9
147.11809	3.0
151.11119	1.1
163.11276	1.3
165.12834	3.9
167.14297	1.1
169.12337	2.9
171.10303	7.3
181.12325	3.0
183.13824	1.5
193.08444	8.1
193.12341	5.4
197.11815	8.7
199.13367	4.0
207.09993	1.6
209.11781	1.5
211.13405	13.8
215.10545	5.6
219.10028	1.8
233.11577	66.6
234.11882	3.8
249.13437	2.1
251.11360	2.1
265.21811	1.0
279.10727	1.2
293.12408	4.8
293.21237	15.0
311.22269	100.0
312.22586	9.3
315.19193	1.1
333.20367	7.8
362.69424	1.0
377.19568	2.1
393.22507	20.1
394.22641	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	393.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79856	0.3
55.01875	4.1
57.03450	2.2
58.00590	0.8
59.01377	28.5
66.48688	0.3
67.49831	0.3
69.03458	0.9
69.51691	2.1
71.01379	40.4
71.36433	0.3
72.99322	1.5
73.02943	21.1
75.00867	1.2
81.03473	0.5
83.01381	8.6
85.02947	20.1
86.00102	0.6
87.00852	1.9
89.02443	6.5
95.01385	2.6
96.96006	0.9
97.02948	1.5
98.19904	0.5
99.00877	8.3
99.08154	0.8
101.02437	38.8
102.02769	0.8
111.00863	1.0
113.02444	17.2
115.04018	0.9
125.02459	2.2
129.01938	0.8
131.03491	2.3
136.17094	0.3
141.31914	0.3
143.03551	1.6
149.04538	1.1
157.08664	0.3
159.02985	3.4
161.04547	14.8
162.04901	0.4
205.03638	0.5
214.85173	0.3
233.06656	1.6
261.13412	58.6
262.13809	3.4
293.08655	1.0
303.14188	0.4
305.12442	0.5
333.81677	0.4
363.93210	0.3
367.69565	0.3
393.17627	100.0
394.12793	0.6
394.17969	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	393.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.5
57.03443	3.0
58.00583	1.1
59.01379	55.4
59.64495	0.6
60.01707	0.8
61.02261	0.7
61.98823	4.4
69.03471	0.9
69.70568	1.3
69.70974	3.1
71.01378	35.9
72.99304	1.1
73.02941	19.2
75.00862	1.3
79.27568	0.7
83.01375	6.6
84.02151	0.6
85.02950	18.5
87.00872	1.9
89.02456	8.2
90.85438	0.6
95.01373	3.3
96.96000	3.5
97.02952	1.5
98.19933	1.3
99.00876	8.7
101.02440	34.1
102.02763	0.8
111.00877	1.3
111.63200	0.6
112.01646	0.9
113.02446	17.1
115.00371	0.7
115.58336	0.5
119.03514	1.2
121.64915	0.6
125.02432	1.0
129.01970	1.2
131.03484	1.7
132.08272	0.6
134.03778	0.8
143.03500	0.8
157.08694	6.6
159.02951	2.6
161.04555	15.9
171.10275	6.2
193.05022	0.8
209.11830	2.1
241.00143	0.6
248.74600	0.6
261.13400	40.3
262.13690	2.8
333.15558	1.1
355.09830	0.6
372.82382	0.6
393.17630	100.0
394.18082	9.5
396.93008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62342	0.8
57.16719	0.9
59.01379	23.1
61.98827	9.3
69.32359	2.1
69.32764	5.8
71.01388	10.3
73.02943	2.4
83.01381	1.2
83.05029	1.1
84.27332	0.8
85.02972	1.3
87.00877	1.4
89.02440	3.6
91.75032	1.0
96.95996	6.1
98.19894	1.3
101.02429	2.6
107.08620	1.2
108.00274	0.9
109.06583	2.5
113.02414	1.7
115.03979	0.9
121.06634	1.7
121.55750	0.9
123.04469	1.1
127.07662	15.2
139.07664	11.1
151.03981	1.4
151.07620	2.9
153.05595	1.1
157.08694	39.2
158.09061	2.6
161.04541	2.8
169.08691	11.3
171.06604	3.1
179.05644	1.0
183.06642	1.5
187.09758	9.4
195.06664	1.4
201.07689	4.8
213.07703	9.3
231.08716	100.0
232.09044	5.8
241.00183	1.3
255.08803	5.2
273.09799	3.6
287.17554	1.5
303.06247	1.6
333.15683	2.5
349.17700	1.2
393.13849	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.8
57.03452	3.2
59.01379	100.0
61.98821	9.0
67.52955	2.1
69.51646	15.6
71.01385	45.6
73.02941	20.9
83.01386	8.1
85.02953	19.3
87.00879	2.8
89.02451	9.3
96.95995	2.6
98.19949	4.0
99.00879	9.1
101.02444	38.0
113.02447	17.8
118.55734	2.0
119.03513	2.4
125.02451	5.2
135.04549	2.5
149.04546	2.1
153.09174	4.7
157.08647	4.7
159.03082	4.6
161.04547	18.7
171.10191	2.4
205.73724	2.4
219.46008	2.1
231.12241	2.4
254.53491	2.2
261.13391	48.7
262.13815	3.7
333.15558	15.8
393.13098	28.7
393.17670	81.5
394.13544	4.8
394.18207	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	393.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
60.52124	0.7
61.98818	3.2
71.55330	0.5
95.05037	0.6
99.92584	100.0
100.92595	4.9
100.93366	5.6
115.92077	62.9
116.92190	3.7
116.92860	90.4
117.92899	3.9
132.92349	0.8
159.96368	0.6
195.87315	0.7
230.99599	0.7
262.06805	1.5
278.06171	0.7
291.07199	0.6
306.05557	3.2
307.06403	2.1
313.11960	0.6
324.06705	1.2
331.06506	1.0
357.11520	2.9
358.12067	1.0
359.09781	0.6
371.09619	3.1
372.09836	1.0
375.12659	37.3
376.12845	6.3
385.07269	0.7
389.10635	4.5
393.13776	28.0
394.13925	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1376
Annotation	CHEMBL270164
Peak:m/z	Relative Intensity
59.01384	5.2
60.01675	1.0
61.98832	11.5
70.14014	3.8
79.58092	1.0
96.96011	1.4
97.06561	1.5
99.92586	61.5
100.90487	2.2
100.92602	4.3
100.93365	2.6
113.09750	2.1
115.92073	39.3
116.92860	100.0
117.92912	5.5
126.04055	0.9
131.87585	1.2
139.11298	3.8
293.21219	4.3
345.11758	1.4
375.12607	12.2
376.12442	1.5
389.10596	3.9
393.13782	64.2
394.14029	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	392.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13446	0.2
59.01383	2.5
61.98829	100.0
69.22993	0.2
71.55398	0.3
84.00941	0.4
88.80856	0.2
99.92601	1.1
100.65203	0.2
100.92590	0.5
115.92068	0.6
116.92099	0.4
116.92878	1.3
117.92886	0.8
209.11855	0.4
313.57394	0.2
325.44958	0.3
392.12363	1.4
392.17001	4.1
393.17346	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56012	0.4
59.01373	1.0
61.98828	100.0
65.60400	0.3
75.44268	0.3
95.40182	0.3
102.56223	0.3
163.84633	0.4
178.40685	0.3
180.37752	0.3
190.87195	0.3
248.85915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99660	0.4
58.55738	0.4
59.01365	1.1
60.83220	0.4
61.98829	100.0
63.99242	0.5
67.36185	0.4
76.37908	0.3
80.93456	0.4
83.60464	0.4
90.26577	0.4
91.77440	0.4
98.19878	1.0
108.70637	0.4
124.05125	0.4
226.13568	0.4
247.37152	0.4
271.88239	0.3
299.28104	0.4
300.98602	0.3
358.13239	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.5
61.98829	100.0
68.01568	0.3
69.09377	0.3
70.86485	0.8
71.01387	1.5
72.27136	0.3
73.86647	0.3
82.68748	0.4
92.17500	0.3
96.96025	0.5
97.06606	0.5
104.31416	0.3
115.00397	0.8
133.01456	0.9
133.02975	0.5
177.02057	0.4
191.09622	0.4
204.29677	0.3
216.21169	0.4
275.09290	0.4
276.09677	1.2
294.80435	0.3
373.26169	0.5
392.24597	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.1
61.98830	100.0
65.83698	0.3
69.88580	0.2
71.01398	0.4
84.00911	0.4
96.95986	0.3
109.06630	0.3
135.04109	0.3
151.13110	0.3
229.05772	0.3
276.09549	0.4
289.18051	2.2
329.16663	0.3
392.16922	3.3
392.20947	0.3
393.17679	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	10.8
57.50618	1.1
59.01379	88.4
59.32695	1.2
61.98829	5.0
69.03482	1.9
71.01378	13.2
71.55495	1.3
73.57672	1.3
75.00891	2.4
78.95880	1.5
80.02700	1.9
81.03447	2.1
83.05031	5.5
89.02455	2.7
95.05054	2.2
96.95968	1.8
97.06605	4.7
99.92594	4.3
100.07870	1.2
101.02451	1.6
111.08157	4.6
113.02434	1.5
113.09732	7.2
115.92097	1.6
116.92851	2.3
119.03499	1.2
123.08157	1.4
125.09728	2.9
133.02931	1.9
134.03732	5.2
139.11310	2.7
149.09676	2.2
151.11281	22.2
153.12846	2.3
155.10818	1.6
161.04692	1.5
163.11266	4.7
165.12846	22.9
166.13171	1.6
167.10803	3.7
177.02019	1.7
179.10788	8.4
181.12323	31.2
182.12721	1.9
191.10777	15.0
192.11176	1.8
195.10115	1.4
209.11819	100.0
210.12189	4.2
211.13397	4.3
217.08415	7.2
227.12947	2.1
231.10176	2.9
233.11546	6.0
247.20589	7.4
249.11102	1.6
263.12631	2.5
263.20148	3.5
265.21689	4.2
275.09204	5.0
278.17908	1.5
281.21280	4.2
285.18280	1.6
291.19592	11.0
293.21268	10.2
303.19354	2.8
309.20645	25.1
310.21063	2.5
317.17105	1.6
319.18832	6.8
331.18967	12.9
332.19321	2.3
373.11368	1.5
391.12698	1.9
391.17130	1.2
391.21118	21.9
392.21252	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
59.01377	100.0
60.01715	1.0
61.98827	0.7
66.18636	0.4
67.61107	0.3
71.01378	7.3
72.99323	0.4
73.02946	1.8
83.01389	0.6
85.02946	1.8
85.11565	0.3
87.00871	0.6
89.02445	2.2
95.01380	0.4
96.96013	0.7
97.06583	0.4
98.19936	0.8
99.00884	0.7
101.02446	4.8
113.02432	2.7
115.00417	0.6
118.02654	0.3
119.03513	0.9
131.03523	0.4
135.04597	0.4
139.29916	0.3
143.03564	0.4
151.11342	0.5
158.03767	0.6
159.03177	0.4
159.04549	1.3
161.04575	4.1
164.95767	0.3
167.10808	0.5
173.06029	0.5
175.07788	0.3
187.03931	0.3
187.07614	2.3
202.06337	0.6
211.09702	0.7
229.10760	2.3
231.10303	1.0
275.09253	7.4
276.09549	0.5
319.90445	0.3
331.13611	0.4
331.17606	8.7
332.18021	1.0
391.19550	3.2
397.04980	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.3
59.01379	100.0
61.98830	9.5
69.03446	2.5
71.01379	6.5
71.55402	1.9
75.00871	10.5
80.02678	3.8
80.91678	3.0
81.03468	4.9
83.01382	14.9
83.05032	5.0
89.02451	4.2
93.03443	1.9
95.05043	10.7
96.96967	3.3
97.06573	4.2
101.02475	1.9
111.08145	2.4
113.09718	2.5
113.38661	1.8
123.04494	3.7
123.08159	4.4
124.44038	1.3
125.06070	2.2
125.09724	12.3
133.01413	1.6
133.02950	2.9
134.03709	4.9
137.09743	3.0
139.11290	11.3
141.09204	2.7
151.11299	1.5
161.04465	1.8
161.09587	1.7
163.11273	11.5
165.09171	1.9
165.12822	20.4
166.13252	1.5
167.10745	6.8
171.10184	2.0
174.60695	1.6
175.07365	2.6
181.12297	6.1
191.10753	6.4
193.12154	1.5
193.15921	5.2
195.13896	2.6
209.11827	87.5
210.12125	5.2
223.13310	3.2
225.11311	1.7
231.10020	53.7
232.10327	3.4
247.20650	14.8
248.20996	2.1
251.02478	1.7
265.03857	3.4
265.21622	3.6
270.00623	2.4
275.09305	8.3
275.20139	2.4
281.21094	1.9
287.19827	2.1
291.12299	3.1
291.19662	92.9
292.19958	7.5
293.21243	29.4
294.21564	2.0
309.20691	84.7
310.20905	8.8
313.18091	2.3
319.18863	9.3
331.18903	19.6
332.18845	1.8
342.76566	2.0
354.09955	26.6
367.44684	1.6
373.23834	2.1
391.21225	25.6
392.21094	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96831	0.3
59.01379	100.0
60.01719	0.7
69.36811	2.4
71.01382	5.4
72.01743	0.3
72.65396	0.3
72.99314	0.4
73.02958	1.3
76.04333	0.3
83.01384	0.5
85.02943	1.5
85.34122	0.3
89.02450	3.1
89.66135	0.3
98.20637	0.6
99.00869	0.4
101.02437	3.2
113.02460	1.9
119.03495	1.5
131.03494	0.4
143.03595	0.5
158.03807	0.4
159.03163	0.3
159.04549	0.5
159.19801	0.3
161.04556	4.8
162.04933	0.4
173.06146	0.5
179.05707	0.9
183.59657	0.3
187.07631	2.1
202.06288	0.5
214.87155	0.3
219.90219	0.3
231.10385	1.1
243.12390	0.5
275.09244	7.8
275.12006	0.5
276.09579	0.5
331.17593	3.4
380.18103	0.4
391.19577	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.2
61.98828	100.0
63.99244	1.9
69.64494	1.3
69.64902	3.0
71.01396	1.2
85.29822	0.7
97.71006	0.7
100.47799	0.6
117.73392	0.7
127.48504	0.7
133.03006	1.2
134.03752	1.2
178.02744	0.6
275.09201	1.4
283.65942	0.8
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
52.10398	0.5
57.40783	0.6
59.01376	4.4
61.72144	0.6
61.98831	100.0
70.36617	1.4
70.36981	1.1
71.01389	9.2
97.06590	0.9
100.71135	0.6
106.72008	0.6
115.00377	5.6
121.02921	0.8
124.01675	1.3
130.30092	0.7
133.01477	1.6
133.02963	11.4
133.89017	0.6
134.03748	16.3
134.04713	1.0
135.04610	0.9
137.02437	6.2
139.04063	1.7
145.03020	0.7
149.02399	0.9
150.03210	0.8
161.02515	1.8
161.06073	1.3
162.03232	6.6
175.03841	0.9
177.01933	6.6
177.05370	0.7
178.02708	13.6
213.09399	0.6
228.27599	0.7
231.10158	3.0
233.07938	1.1
275.09241	19.3
401.50568	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.2
57.03447	12.5
58.00595	2.3
59.01378	100.0
61.98825	10.6
69.03439	1.9
71.01379	32.0
71.53459	1.1
72.99297	4.0
73.02944	4.3
83.01383	2.5
85.02971	8.8
87.00871	3.2
89.02440	26.3
95.01402	2.4
95.05029	4.6
96.96010	34.8
97.02943	3.0
97.06593	15.3
99.00882	1.9
101.02444	20.1
109.06599	1.8
111.04494	2.3
113.02446	15.4
119.03491	9.3
119.14697	1.2
121.06576	3.6
123.04512	1.1
123.08167	49.5
124.08498	1.5
125.06113	1.7
131.03442	1.5
133.02913	1.4
134.03748	16.0
135.04475	1.4
137.02469	2.9
141.09175	2.7
143.03528	1.5
145.63016	1.2
149.06091	8.5
149.09737	5.9
151.07579	1.4
153.09196	1.8
153.94455	1.2
161.04547	7.8
167.10762	7.3
168.02481	1.2
176.01041	1.2
177.09192	1.1
178.02682	7.9
179.05614	4.1
185.08173	3.1
191.03421	1.2
191.07216	1.1
193.05057	35.0
193.08687	3.8
193.17003	1.2
194.05339	2.1
211.09753	92.7
212.10120	5.7
228.29897	1.2
229.10577	1.2
245.23923	1.3
331.14011	3.0
340.97577	1.4
355.10297	4.3
391.16180	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	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38447	0.6
59.01369	2.0
61.98826	100.0
69.32678	5.0
71.01379	1.3
79.77320	0.6
94.36650	0.6
98.19955	1.4
102.76480	0.6
122.13480	0.6
133.02985	1.6
134.03749	1.0
177.01907	1.0
187.07614	0.5
202.79282	0.6
231.10190	0.8
271.66187	0.6
275.09396	1.6
296.45670	0.6
327.21707	0.7
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
52.10398	0.5
57.40783	0.6
59.01376	4.4
61.72144	0.6
61.98831	100.0
70.36617	1.4
70.36981	1.1
71.01389	9.2
97.06590	0.9
100.71135	0.6
106.72008	0.6
115.00377	5.6
121.02921	0.8
124.01675	1.3
130.30092	0.7
133.01477	1.6
133.02963	11.4
133.89017	0.6
134.03748	16.3
134.04713	1.0
135.04610	0.9
137.02437	6.2
139.04063	1.7
145.03020	0.7
149.02399	0.9
150.03210	0.8
161.02515	1.8
161.06073	1.3
162.03232	6.6
175.03841	0.9
177.01933	6.6
177.05370	0.7
178.02708	13.6
213.09399	0.6
228.27599	0.7
231.10158	3.0
233.07938	1.1
275.09241	19.3
401.50568	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.7
61.98829	100.0
68.91610	0.5
69.73186	2.8
70.69128	0.5
71.01383	1.3
76.45804	0.5
79.95711	0.5
85.56812	0.5
89.02486	0.4
92.73328	0.4
96.96032	3.3
98.16142	0.4
98.20703	0.9
113.02454	0.6
115.00343	0.9
124.01669	1.7
125.01955	0.7
133.02992	0.5
134.03804	2.2
135.04506	0.6
139.04037	1.3
140.04401	0.8
145.00922	0.5
153.67604	0.4
158.67633	0.4
159.86014	0.4
162.03275	0.5
171.10289	0.8
175.13930	0.4
177.01903	0.7
231.10297	0.8
233.47878	0.5
248.10440	0.5
275.09201	2.7
290.18396	0.6
291.19916	0.7
309.20782	1.5
330.17160	0.5
331.18872	0.8
390.16550	1.1
391.17569	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16674	12.3
53.46648	14.5
59.01371	100.0
61.98820	31.7
66.99115	12.0
69.55871	88.5
71.13905	12.6
72.91607	14.2
89.02454	45.1
114.19467	14.1
155.20737	11.6
317.04678	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	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82821	0.8
55.47927	0.8
59.01377	100.0
68.23683	0.9
69.72799	4.2
69.73170	1.9
77.86626	1.0
86.65257	0.9
92.93481	0.9
93.74223	0.8
98.19910	1.1
176.44980	0.8
215.19313	0.9
228.00139	0.9
311.21246	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20967	0.8
53.99844	0.8
59.01378	100.0
70.99702	2.0
76.11581	0.9
87.84491	0.8
130.70146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50316	0.4
54.58416	0.4
55.75483	0.4
59.01384	1.8
61.98833	100.0
69.82491	1.9
72.48216	0.4
122.97775	0.4
125.24058	0.5
158.53178	0.6
171.10229	0.6
187.79254	0.5
251.36009	0.4
293.17786	0.7
337.80283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	6.2
59.01380	42.6
61.98825	3.3
66.48657	1.9
68.87541	1.9
69.03445	2.1
70.51968	3.1
70.52333	3.8
72.77392	2.0
78.91876	2.6
79.03798	2.1
80.02682	4.4
80.96519	9.7
81.03471	3.3
81.73530	2.0
83.01401	10.9
83.05019	3.8
92.06605	1.7
95.05051	2.3
97.02958	4.4
97.06616	10.4
111.92952	4.6
123.04549	8.2
123.08167	4.4
125.09721	15.2
135.08199	2.6
137.09724	7.7
151.74751	2.0
163.11295	17.5
165.12865	5.8
171.10173	2.2
174.56844	1.9
175.07426	4.5
177.73451	2.1
179.10780	3.1
185.11896	12.5
191.10814	3.6
191.14453	11.7
207.10182	9.6
209.11815	59.6
211.13397	2.3
219.06459	2.9
225.11369	5.6
231.10007	100.0
232.10373	8.3
233.11563	4.5
245.19073	31.6
271.17065	3.6
285.18307	2.3
289.18103	73.4
290.18484	6.2
291.12119	3.1
307.19199	46.5
308.19348	4.5
311.16235	2.3
317.17502	3.2
329.17322	22.6
389.14835	3.0
389.19360	16.7
390.19897	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50016	2.7
57.03433	3.9
59.01381	65.3
61.98836	5.3
69.03478	3.1
69.74706	9.8
69.75122	4.5
70.54073	2.3
71.01373	5.4
80.02686	7.5
80.07609	2.8
95.05009	4.2
97.06593	10.1
109.02889	2.8
111.08142	6.2
123.04505	8.7
123.08124	2.7
127.07647	4.5
149.09718	8.6
151.11298	8.3
153.12910	3.4
155.10802	4.2
163.11275	4.0
165.12840	14.7
167.10760	4.2
170.17436	2.4
174.75995	2.5
179.10803	4.2
181.12386	22.2
191.10712	9.2
194.12112	2.6
209.11772	51.1
211.13365	4.4
217.08456	34.9
219.09901	3.4
223.09471	8.0
231.09996	23.4
233.11559	100.0
234.11928	5.5
245.19080	11.2
249.11031	9.8
253.10516	7.9
259.13263	3.6
260.10168	4.5
263.12564	5.5
264.09735	9.9
265.10498	2.8
267.12149	4.3
271.16913	3.2
274.12061	3.7
283.16785	9.0
285.18295	11.2
289.18030	13.4
307.19098	18.3
315.15839	4.1
317.17337	35.7
318.17648	3.5
329.17288	49.7
330.17767	4.4
361.16357	2.6
372.99591	3.0
389.19336	11.5
398.08112	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	389.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39718	1.7
57.03452	9.2
59.01382	54.0
60.01699	2.0
69.03429	2.1
69.66698	4.1
69.67108	6.5
71.01353	9.3
80.02684	2.3
80.91681	2.4
83.05026	4.0
86.86640	1.8
95.05047	4.0
97.06593	17.7
98.20624	3.1
102.91618	2.1
109.02939	2.4
109.06611	2.6
111.08146	6.7
122.73146	2.2
123.04523	3.2
125.09606	2.0
137.09737	3.9
138.06837	1.8
149.09686	3.7
151.11279	18.2
153.12773	2.2
155.10744	3.2
163.11270	6.2
165.12848	24.3
167.10741	3.9
177.12865	2.2
179.10744	9.8
181.12344	33.6
182.12714	2.4
191.10802	12.8
191.14412	5.4
195.10226	1.7
197.11844	2.4
209.11823	100.0
210.12146	9.1
211.13376	7.6
217.08508	5.0
224.10439	2.9
233.11613	13.5
245.19054	16.3
263.12506	2.6
263.20261	3.9
264.09738	3.1
269.70258	1.9
279.19699	2.8
285.18341	6.8
287.23950	2.0
289.18118	21.9
290.18533	2.5
307.19119	39.9
308.19540	5.7
317.17154	8.9
329.17410	13.2
389.19568	24.7
390.19824	4.7
390.24179	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	389.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.7
59.01379	46.4
63.83459	1.8
71.01362	2.2
71.55534	1.8
80.02657	3.6
80.91672	3.3
81.03454	4.9
83.01390	10.9
83.05013	4.9
95.05017	5.9
97.02967	3.9
97.06584	8.1
109.02895	2.5
109.06586	2.7
121.06573	3.1
123.04554	12.3
123.08136	5.7
125.06082	1.7
125.09735	18.4
126.10102	1.6
135.08142	4.7
137.09741	11.0
141.12822	2.9
142.02687	1.6
147.11850	1.6
149.06140	2.1
161.09599	1.5
163.11298	17.4
165.09160	1.5
165.12810	4.7
167.10760	2.3
175.07423	4.4
181.12335	4.6
185.11838	14.9
187.83894	1.6
191.10754	3.4
191.14404	15.9
199.86246	1.7
203.10489	1.9
207.10193	13.3
209.11816	84.3
210.12169	4.3
217.15973	2.2
221.11679	1.5
225.11320	7.5
231.10007	60.2
232.10316	4.1
233.11555	3.5
245.19089	32.9
246.19333	2.3
263.20129	3.3
271.17017	4.1
285.18307	6.0
289.18085	100.0
290.18423	10.3
291.12106	3.8
307.19122	63.4
308.19437	5.0
317.17236	6.4
329.17349	17.7
389.19409	18.4
390.19598	2.4
395.48065	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	389.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73671	1.0
59.01376	12.8
59.84864	1.0
61.98827	14.8
69.37785	2.7
69.38182	7.7
71.01370	1.1
71.05041	7.0
80.91690	12.1
81.03471	1.7
83.05026	2.5
93.03481	2.2
95.05016	3.0
96.96016	1.9
99.92580	2.7
106.04281	2.0
106.06110	1.2
107.04988	1.7
109.02973	1.9
109.06592	14.7
111.04516	12.4
111.08124	2.3
115.57287	1.1
115.93393	1.4
121.03007	1.0
121.06578	4.4
123.08144	2.2
124.01706	1.3
127.07641	2.4
132.05835	1.2
137.06047	1.9
145.06575	2.6
149.06068	7.3
151.07605	1.2
163.50806	1.1
166.26825	1.1
167.10759	2.3
179.10724	1.6
195.13875	2.0
216.53999	1.1
217.12086	3.2
229.08577	1.3
233.15367	1.2
235.13321	1.9
245.19131	3.9
247.09529	4.7
249.11072	4.2
253.13170	1.3
257.11584	8.8
261.18762	1.5
271.13226	1.4
287.16357	1.5
289.18112	100.0
290.18396	11.6
300.13409	3.1
301.16739	1.8
307.19077	9.2
311.16284	4.1
329.17334	73.9
330.17773	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	389.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66008	1.4
58.00570	1.8
59.01380	100.0
61.98830	79.6
69.03439	2.5
71.01379	32.8
71.06113	1.3
71.24921	2.6
72.99306	2.2
73.02946	3.5
77.41710	1.8
84.60303	1.5
85.02947	5.7
87.00868	1.9
89.01931	2.9
89.02450	47.5
96.95998	4.3
101.02439	22.1
113.02454	14.0
119.03509	23.3
121.02950	1.8
121.06579	2.0
121.20833	1.5
128.75761	1.6
131.03468	2.5
134.03746	10.0
134.92717	1.4
135.34856	1.6
139.07593	1.9
143.03500	4.3
149.04564	3.0
149.06061	17.5
150.06528	1.6
161.04529	4.7
165.05495	1.9
167.07057	2.4
176.01169	10.7
179.05606	8.3
183.06609	3.0
191.03508	18.7
210.05591	4.8
212.35843	1.4
329.12439	19.1
389.18204	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	389.1815
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
50.68979	0.4
55.01870	0.5
55.24873	0.4
57.03436	0.8
58.00545	0.5
59.01379	61.1
60.01727	0.9
69.54297	2.6
71.01377	9.8
73.02946	3.4
83.01378	2.1
85.02956	4.7
87.00889	1.1
88.88321	0.4
89.02454	4.8
89.10344	0.5
95.01392	0.7
98.89508	0.4
99.00833	1.1
101.02435	10.1
113.02435	4.9
119.03503	2.0
123.77512	0.5
127.10378	0.5
158.28902	0.5
159.03014	0.5
161.04601	1.4
219.95370	0.5
220.45425	0.5
227.12943	0.6
329.15958	1.3
371.17050	1.0
389.18158	100.0
390.18497	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	389.1453
Annotation	Reptoside
Peak:m/z	Relative Intensity
53.20171	0.6
56.51821	0.6
57.03434	0.8
59.01379	100.0
60.01714	1.0
61.98831	25.7
65.14136	0.6
69.03471	0.7
69.65586	3.7
71.01377	12.0
72.99310	1.3
73.02966	1.1
75.78297	0.7
82.95396	0.6
83.01409	0.7
85.02975	2.9
87.00906	0.8
89.02448	10.2
96.96028	3.0
101.02458	6.4
113.02453	5.7
119.03517	3.1
121.02960	1.0
121.12263	0.7
122.03765	1.6
134.03795	1.6
137.02490	0.9
137.06085	5.1
138.98570	0.7
139.07674	2.4
149.06100	3.0
152.04785	13.3
161.04558	5.7
162.05580	0.9
165.05705	1.0
167.07137	32.4
168.07492	1.3
176.01172	2.7
177.01997	1.1
179.05606	1.2
183.06644	1.9
191.03467	4.3
210.05647	2.3
227.09297	1.4
235.65062	0.8
329.12479	3.1
329.15942	1.6
383.13641	0.9
389.14536	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	389.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04595	0.7
59.01379	100.0
60.01700	1.5
61.98826	6.8
65.54774	0.7
66.58640	0.7
71.01374	6.7
71.08384	0.9
71.08704	1.1
72.99310	0.8
73.02957	1.3
75.95538	0.8
85.02953	2.3
88.98825	3.3
89.02466	1.8
89.30428	0.7
91.23990	0.6
96.96035	2.1
99.00906	0.9
101.02435	3.5
113.02470	2.9
120.99596	0.8
122.03729	1.8
135.98627	0.8
152.04768	14.5
161.04559	5.8
167.07129	28.3
168.07562	1.3
179.03564	0.9
179.69237	0.7
194.05849	0.9
195.00381	0.7
209.04707	0.8
209.08205	1.3
223.23517	0.8
306.91144	0.8
389.10696	1.2
413.67142	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	48.2
61.98828	21.9
63.82350	2.1
69.71822	13.9
71.01378	25.4
72.99303	3.6
73.02940	7.9
75.00848	3.0
85.02946	6.1
87.00883	2.2
89.02441	27.2
96.95995	8.1
98.19918	2.8
99.00892	2.7
101.02433	23.0
111.04435	2.3
113.02474	12.5
119.03491	10.2
123.04502	13.5
131.03473	2.9
133.89923	2.1
150.05621	2.5
161.04523	9.4
167.03496	2.7
179.05659	3.7
185.75737	2.6
209.08139	3.0
221.10265	24.2
306.07510	5.7
329.08786	2.8
353.14502	100.0
354.14822	6.5
389.04288	2.5
389.12143	11.4
408.17984	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	388.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96900	0.3
59.01381	5.6
60.01699	0.4
61.98829	100.0
62.98513	0.4
69.58208	2.0
71.01391	1.9
74.50989	0.3
75.25035	0.3
85.02955	0.7
89.02451	1.5
96.96008	0.6
99.04544	0.8
101.02456	0.8
113.02484	0.6
118.74241	0.4
122.54550	0.4
139.07681	0.8
143.03461	0.5
156.64323	0.4
166.05948	0.4
176.01125	0.5
183.06694	0.8
191.03522	0.8
220.04214	0.4
306.30447	0.3
363.88705	0.4
388.16733	2.7
389.18658	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
68.03199	0.6
160.96501	0.8
163.97661	0.5
247.09471	0.6
307.56482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11478	0.4
54.18832	0.4
58.30074	0.4
59.01380	0.7
61.98832	100.0
68.43819	0.4
69.77046	0.4
80.20433	0.4
83.72505	0.4
87.00890	0.6
94.15529	0.4
108.79507	0.4
110.66518	0.4
130.66321	0.4
169.94998	0.4
175.18318	0.4
201.05516	0.4
229.08879	0.6
230.09413	0.6
247.09735	0.9
341.64819	0.5
350.35336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	36.3
61.98832	18.3
69.58645	4.3
69.59056	12.8
71.01380	12.1
72.99281	3.4
75.00853	3.1
78.95911	12.0
79.34339	2.3
85.02928	3.4
87.05637	2.7
89.02440	10.4
89.97862	2.7
92.66281	2.5
93.76878	2.4
96.96010	100.0
96.96924	12.5
101.02434	11.4
113.02449	5.9
117.05492	2.2
117.06636	4.2
119.03540	3.4
123.04539	4.4
136.03986	2.8
138.05597	10.3
153.05557	3.7
160.97714	2.8
161.04544	3.9
165.00435	2.4
167.03459	5.6
171.00557	3.0
200.14005	4.8
200.37531	2.4
209.08252	5.4
221.10323	3.1
268.27200	2.5
291.10828	3.9
301.15195	4.6
329.05652	4.2
345.17841	3.4
353.14447	19.3
382.77393	2.4
389.07538	3.7
389.12070	29.1
390.12418	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	387.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82509	1.5
55.82248	1.5
59.01377	100.0
61.98831	7.8
64.99548	1.8
68.28344	1.5
71.25153	2.3
71.25486	2.4
73.94787	1.6
81.00440	1.7
85.56301	1.6
87.00854	2.1
98.94363	1.6
141.01729	2.5
154.04077	1.7
160.97569	1.6
201.46892	1.6
253.21652	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	387.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08806	1.0
59.01378	100.0
60.01705	0.9
60.24755	1.0
61.98825	2.7
65.90894	0.9
70.69955	2.1
94.91599	1.0
127.93100	1.0
130.22298	1.1
141.01700	2.0
150.61949	1.0
218.28430	1.1
253.21771	5.6
338.87155	1.0
339.10349	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55692	1.0
55.50549	1.1
59.01379	100.0
60.01724	1.7
61.98845	1.1
63.60608	1.0
64.84078	0.9
64.87543	0.9
69.72696	5.9
98.19904	1.9
101.64189	1.0
125.84975	1.1
163.31300	1.1
311.81766	1.0
343.26529	1.4
387.25424	9.8
405.09390	1.0
413.96643	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73310	13.1
59.01380	100.0
61.98827	20.6
70.82021	31.6
85.20612	14.7
88.15026	12.7
98.03703	13.6
110.47337	13.4
116.86806	13.4
137.46561	13.4
235.84866	16.1
271.20596	34.0
315.19550	46.7
369.24451	21.8
387.25229	53.3
387.49570	15.0
410.80991	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	387.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	100.0
61.98833	27.8
71.54848	23.4
78.29028	13.4
141.01724	50.6
206.95390	16.3
369.24344	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.3
59.01377	39.6
60.01725	0.3
66.40889	0.2
69.03458	0.4
69.52158	2.0
71.01388	0.5
71.05017	2.1
73.02950	0.3
81.03439	0.5
81.31884	0.3
83.05029	2.6
84.02155	1.5
85.02943	2.3
85.06587	0.8
87.62216	0.3
92.55379	0.3
94.85143	0.3
95.05042	1.2
97.06607	0.6
98.19895	0.5
98.54361	0.3
99.08156	9.7
101.06072	6.5
111.08169	1.1
113.06078	0.7
115.82884	0.3
123.08173	1.8
125.09716	3.7
129.09218	1.0
137.09764	1.0
139.11302	0.7
141.09203	1.3
141.12837	0.5
147.11752	0.3
151.11252	1.9
153.12859	1.6
163.11201	1.5
165.12834	28.3
166.13214	1.3
169.12361	0.5
179.10757	0.3
181.12321	9.2
183.13892	6.8
184.14249	0.4
199.13387	0.5
209.11949	0.3
227.12827	3.4
233.04683	0.3
245.13997	2.5
254.03789	0.3
263.20041	0.6
267.49020	0.3
290.08112	0.3
327.21741	27.7
328.21985	2.5
343.21387	0.3
345.22781	100.0
346.18903	0.6
346.23138	10.7
387.23853	57.7
388.24213	6.4
410.07178	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67742	0.2
55.01876	1.9
57.03445	5.5
58.00599	1.6
58.76891	0.2
59.01376	34.0
59.40203	0.2
60.01700	0.4
67.77353	0.2
69.03457	1.4
70.56331	0.9
71.01376	51.7
71.05015	2.9
72.01718	0.4
72.99308	1.9
73.02942	11.4
75.00880	0.5
81.03461	1.1
83.01381	3.8
83.05038	0.4
84.02155	0.4
85.02943	18.6
87.00871	2.1
89.02438	21.2
95.01371	3.9
95.05018	1.9
96.95981	0.4
97.02950	3.2
98.03742	0.7
99.00874	5.0
99.04523	0.5
99.08160	0.6
101.02435	29.6
102.02759	0.3
109.06589	1.9
111.04502	1.5
111.61303	0.3
113.02443	21.7
113.06048	0.4
113.09686	0.6
114.02771	0.9
119.03489	8.0
121.02890	0.3
122.03727	0.5
123.08150	6.5
125.02459	1.2
125.06046	0.5
129.01938	0.9
131.03494	0.9
135.08171	1.0
136.05283	0.6
137.06087	0.6
137.09703	3.1
138.06856	25.7
138.35457	0.3
139.07260	0.9
143.03462	2.8
149.04539	0.6
149.09676	0.7
150.06863	0.3
151.07648	0.4
152.08487	0.5
153.09203	64.8
154.09547	3.1
155.10753	0.7
157.67789	0.3
159.02985	4.3
161.04544	25.5
162.04906	1.0
163.11288	4.4
164.11641	0.3
165.09175	0.3
165.12813	1.0
179.05605	3.3
189.12837	5.2
190.13179	0.5
192.11530	0.6
205.03453	0.4
207.13870	14.2
208.14201	0.7
209.11835	0.3
225.14934	100.0
226.15277	7.6
251.07219	0.3
300.21445	0.3
387.12436	0.5
387.16354	1.0
387.20438	5.2
388.20300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2023
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
51.41966	0.2
52.10328	0.2
55.01875	5.7
56.02227	0.2
57.03446	6.9
58.00596	1.1
59.01378	27.4
60.01723	0.4
60.42569	0.2
61.98814	0.2
62.99474	0.2
68.99829	0.3
69.03454	1.1
69.90752	1.1
71.01379	100.0
71.05025	1.0
72.01721	1.7
72.02116	0.4
72.99309	3.9
73.02944	29.9
74.03277	0.6
75.00861	1.8
79.68219	0.2
81.03443	0.6
83.01385	11.8
83.04984	0.2
84.01728	0.2
84.02172	0.9
84.09103	0.2
85.02948	45.1
86.03274	0.7
87.00870	3.2
89.02443	14.8
90.02782	0.5
95.01385	7.7
95.05054	0.5
96.95998	0.9
97.02952	2.3
97.06554	0.2
99.00877	12.9
99.04500	0.5
99.35518	0.3
101.02439	58.1
102.02779	1.3
109.06596	0.3
111.00893	0.2
113.02446	43.7
113.06066	0.8
114.02762	0.7
115.04031	0.4
118.64907	0.2
119.03495	4.6
123.08135	0.5
125.02452	2.1
125.09735	0.2
129.01958	1.6
131.03500	0.7
133.06563	0.9
135.08167	0.3
137.09708	0.9
139.11244	0.3
143.03494	4.1
145.06578	0.5
145.10223	0.7
146.07327	0.3
147.08104	0.3
149.04503	0.3
149.13695	0.2
151.07668	0.3
151.10098	0.4
151.11292	4.9
152.11536	0.4
153.09192	0.7
153.12781	0.3
159.02980	10.0
159.08054	0.3
160.03279	0.4
161.04547	44.3
161.09712	2.2
162.04918	1.7
163.11275	10.8
164.11565	0.6
173.09648	1.3
174.10287	0.4
175.11241	0.3
177.09163	0.3
177.12823	0.8
179.05611	1.5
179.14407	0.6
181.12331	7.9
182.12665	0.4
183.22633	0.2
187.11224	0.6
189.12848	7.9
190.13159	0.6
195.13864	1.0
197.15471	0.6
205.03468	1.0
205.12321	0.9
206.63474	0.3
207.13884	14.5
208.14233	1.2
219.13966	0.4
223.13388	0.3
225.14949	27.2
226.15279	2.0
243.12346	1.3
249.14941	0.4
279.15918	0.3
309.17029	0.6
387.16504	0.4
387.20416	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	387.1659
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.58582	0.4
57.03447	2.3
59.01378	7.2
69.03453	2.7
71.01387	3.3
71.05025	0.5
72.99297	0.5
73.02935	6.3
83.05029	0.6
84.37257	0.5
85.02949	2.2
87.04513	1.1
89.02449	2.4
95.01378	0.6
95.05003	2.0
97.06567	0.6
99.00872	0.6
101.02418	2.1
109.06599	1.0
111.08134	0.6
113.02454	3.8
113.59672	0.4
115.28934	0.4
119.03465	0.7
121.06552	0.6
123.08146	0.6
125.09686	0.6
132.37358	0.5
137.06065	0.6
161.04532	0.9
161.09741	0.6
163.10065	0.6
163.11295	7.3
179.05644	0.6
181.12332	35.9
182.12651	2.1
185.00920	1.8
195.13762	0.5
207.10240	2.1
216.13718	0.5
222.70816	0.5
223.13304	1.3
225.11302	100.0
226.11621	6.8
249.11319	3.1
267.12338	2.6
284.58374	0.5
306.50867	0.6
325.14331	0.5
343.24951	3.9
387.16248	1.6
387.23886	16.5
388.24252	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	387.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.0
61.98838	2.6
62.04733	0.5
62.32914	0.4
63.96238	83.1
64.97016	0.8
71.54934	0.7
79.95736	100.0
80.96512	6.5
89.02428	0.6
92.81464	0.5
115.31506	0.6
132.99658	7.1
135.24954	0.5
171.10258	0.6
203.07584	0.6
215.18994	0.6
250.96329	0.5
261.11630	4.9
277.11182	6.1
292.16302	0.5
302.35809	0.6
327.21640	0.8
387.18454	45.7
388.18765	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	387.1657
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
51.37773	0.4
52.97476	0.4
55.01860	0.6
57.03441	0.7
58.00602	0.9
59.01377	58.9
60.01719	1.1
62.45029	0.4
63.04523	0.3
65.03331	0.3
66.74999	0.3
67.44513	0.3
69.98740	1.1
69.99149	1.0
71.01375	11.3
72.99310	1.0
75.32164	0.4
83.01374	0.8
85.02946	2.8
87.00861	0.4
89.02442	11.1
89.70441	0.4
95.01379	1.3
101.02430	7.0
113.02448	4.8
119.03501	4.0
163.11273	3.8
179.05533	0.5
188.13315	0.4
207.10249	9.7
208.10526	0.6
244.87903	0.4
305.04538	0.5
327.28183	0.4
369.15628	0.6
387.16565	100.0
388.16885	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	387.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45176	0.5
57.03456	0.5
58.00594	1.3
59.01379	90.1
60.01719	1.0
67.89619	0.6
69.59315	3.6
71.01379	18.8
72.99314	0.9
73.02943	1.9
83.01394	1.6
85.02950	4.8
87.00896	0.8
89.02439	15.9
89.97144	0.5
95.01388	1.4
101.02437	10.3
101.03089	0.6
113.02456	7.4
115.88956	0.5
119.03508	5.9
129.36861	0.6
135.25641	0.5
147.08145	0.6
149.04556	0.6
161.04556	1.6
163.11285	13.1
164.11557	0.8
179.05586	1.0
196.43419	0.5
207.10298	3.3
225.11206	0.9
350.30817	0.6
387.16577	100.0
388.16971	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	386.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.1
61.98833	100.0
67.74403	0.6
71.01377	1.7
71.56178	0.8
73.11129	0.7
78.06152	0.5
97.06611	0.9
101.02474	0.6
167.71977	0.7
211.13460	1.2
213.20975	0.6
229.14403	0.8
233.84892	0.6
245.05284	0.6
328.85480	0.6
329.23495	2.7
351.21542	0.7
387.14697	1.1
387.19418	4.0
401.37119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.6
61.98830	100.0
69.03919	0.9
69.81252	5.5
79.95740	2.3
80.96487	1.0
93.42435	1.1
124.01643	6.7
139.04030	5.9
230.84479	1.1
258.07675	1.3
387.18494	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
61.98833	0.5
66.89857	0.2
69.46404	0.8
69.46819	0.8
98.19868	0.3
212.92615	0.2
232.04042	0.4
245.04720	0.5
253.34624	0.3
260.03494	0.6
261.04312	3.5
262.04367	0.3
264.03076	0.4
289.03784	100.0
290.04138	9.9
290.07419	0.4
290.12756	0.2
305.17426	0.2
331.22943	0.3
368.27692	0.2
380.22830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.161
Annotation	Merenderine N-oxide
Peak:m/z	Relative Intensity
58.02976	36.3
59.01375	5.3
61.98843	1.0
69.03481	0.8
70.02969	1.4
70.25240	2.2
71.01376	2.2
72.00904	10.8
72.99277	0.6
73.02942	0.9
81.03455	2.6
82.03016	0.9
85.02965	1.5
91.05534	1.6
95.05026	3.8
97.02953	0.8
97.06566	0.7
98.20602	0.9
99.04545	0.8
103.05522	1.6
109.06606	2.0
116.05019	1.1
118.06632	2.6
119.04979	0.7
123.04512	1.5
133.02953	1.2
135.04546	1.2
135.08186	3.4
141.05565	0.6
142.99823	0.8
144.08173	3.7
147.04514	42.5
147.97977	0.7
148.04854	1.2
155.10783	0.9
158.03780	0.8
164.07158	100.0
165.07553	4.7
174.01683	2.0
175.01974	1.3
177.09213	1.9
179.07118	1.7
181.08688	1.5
186.05597	7.3
188.07196	2.3
206.08134	5.1
206.11719	0.7
221.08177	0.7
280.17056	2.1
288.12408	0.7
294.15247	0.7
298.14081	0.7
324.16074	5.5
327.21790	1.2
338.16403	0.6
342.17084	18.8
343.17169	2.1
345.22775	4.3
358.18127	0.7
368.14883	6.5
386.16055	75.6
387.16339	8.7
387.23795	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	385.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29862	1.5
54.13423	1.7
59.01381	9.6
61.98829	100.0
70.69099	3.5
70.69438	1.9
76.78619	1.9
89.62027	1.8
90.10202	2.1
98.20612	1.8
111.77908	1.9
114.52983	1.7
345.39572	1.8
361.55301	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	385.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01923	0.5
57.03444	2.5
59.01379	45.2
61.98837	0.5
63.33603	0.5
69.03452	3.1
69.11928	0.5
70.14661	1.0
70.15031	1.6
71.01379	4.5
71.05030	1.3
73.02975	0.6
81.03477	1.6
83.05021	2.6
84.02187	1.4
85.02948	3.9
89.02480	0.4
90.44680	0.4
93.03506	0.5
93.83639	0.5
95.05054	1.2
97.02962	1.3
97.06583	13.1
98.20585	0.6
99.00894	1.1
99.04514	0.6
101.06083	4.4
110.03735	0.7
111.08166	1.0
123.08179	1.7
125.09717	3.9
127.07674	0.5
135.08176	0.9
137.09721	1.9
139.11313	1.2
141.09261	1.5
142.99873	0.9
149.09756	0.5
151.11320	0.9
153.12837	1.2
155.10793	1.6
163.11281	2.0
165.12837	18.4
166.13199	0.9
174.01691	1.5
175.11290	0.8
179.10831	1.8
181.12320	8.0
183.13913	4.2
185.00931	1.7
187.09738	1.1
193.12367	3.2
199.13312	0.8
205.12450	0.4
209.11844	2.0
211.13417	0.6
225.11476	0.5
227.12822	3.6
231.31963	0.5
237.11359	0.4
245.13846	2.9
245.19186	0.8
255.12361	0.7
263.20068	0.6
287.88708	0.5
303.39304	0.5
315.52026	0.5
322.44958	0.5
325.20181	33.2
326.20538	2.6
343.21225	100.0
344.17584	1.0
344.21542	11.7
385.22290	58.6
386.17401	0.6
386.22638	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	385.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26738	0.5
55.01876	2.6
57.03445	3.7
58.00599	3.7
59.01377	100.0
59.60474	0.6
60.01723	1.3
61.47206	0.6
61.98834	2.0
69.03456	2.0
69.71770	3.7
71.01379	74.2
72.01719	1.8
72.99308	5.8
73.02944	10.8
75.00864	0.7
79.76469	0.6
83.01385	4.6
85.02951	20.5
87.00880	12.7
89.02443	77.6
90.02801	1.5
95.01388	5.6
95.05034	0.8
96.50495	0.6
96.96024	1.5
97.02946	1.3
99.00874	4.4
99.04525	0.7
101.02438	49.8
102.02795	0.7
111.00906	2.0
113.02448	32.2
114.02775	1.2
119.03490	35.2
121.06593	0.8
124.49463	0.7
129.01964	2.2
131.03490	3.1
136.50482	0.6
137.09747	1.5
141.01945	0.9
143.03494	5.4
149.02444	1.0
149.04558	2.7
159.03020	2.5
161.04546	13.1
161.05893	1.0
161.09703	4.5
162.97455	0.7
171.08215	1.8
175.07658	2.1
175.11214	0.8
176.08412	4.7
177.09169	0.6
179.05585	9.4
185.00934	2.1
187.11269	30.0
188.11656	1.9
189.09276	2.2
190.10022	5.6
203.10785	1.7
204.11533	9.2
205.12328	29.1
205.14287	1.2
206.12682	2.5
215.10823	3.3
223.06233	1.3
223.13416	1.9
233.11798	17.1
234.12187	1.3
247.13200	0.9
259.13449	3.6
277.14389	9.0
278.14883	1.2
385.13828	7.1
385.18918	4.6
388.55322	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1867
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.10377	0.8
52.83819	0.7
55.01873	2.6
56.68703	0.9
57.03447	4.4
58.00587	4.4
59.01378	100.0
60.01704	0.8
61.98841	1.1
63.67107	0.8
68.99828	0.9
69.03458	5.9
71.01381	78.8
72.01718	1.8
72.99298	6.0
73.02946	10.2
83.01403	4.4
83.05061	1.1
85.02951	21.0
87.00876	11.1
87.04553	1.0
89.02445	72.5
89.30756	0.9
90.02760	1.8
91.17771	0.8
95.01384	6.0
96.95974	0.9
97.02936	6.8
99.00862	4.5
101.02443	50.1
111.00896	3.2
113.02448	35.0
114.02796	1.1
119.03502	33.5
120.03817	0.9
121.02985	1.0
125.02434	1.2
129.01949	5.2
131.03488	3.3
134.03719	4.2
137.09712	2.0
138.06897	1.0
141.01936	6.7
143.03494	5.5
147.08188	1.0
149.04527	2.5
149.06087	1.2
149.09724	1.1
151.07671	1.4
152.08493	0.9
153.09195	4.0
155.10785	8.3
159.03001	2.2
161.04567	13.4
161.09714	4.2
163.11223	0.8
165.09152	0.9
171.10291	1.6
175.07614	2.7
176.08440	4.4
179.05621	7.7
185.00940	4.3
187.11266	25.8
187.12866	1.6
188.11571	2.7
189.09242	2.5
190.09970	6.4
191.05553	1.3
193.05083	3.6
198.55334	0.8
199.09796	3.0
203.02022	1.5
203.10741	1.5
204.11552	8.3
205.12323	30.7
206.12631	1.4
209.06654	4.3
215.10783	2.8
223.13408	5.0
227.62102	1.0
233.11795	18.7
234.12204	1.3
236.58022	0.9
247.13524	1.0
259.13373	3.6
277.14420	7.2
385.11359	6.3
385.18646	3.5
386.18921	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.5
57.03431	2.7
59.01377	100.0
61.98815	2.9
69.03452	33.8
70.36118	2.2
71.01378	8.6
71.55869	2.4
71.56238	2.5
73.02933	6.1
74.68227	2.1
82.86947	2.3
84.17512	2.4
85.02944	3.5
89.02424	3.8
90.74995	2.3
96.96026	3.5
97.02941	12.1
99.00863	8.9
101.02455	4.3
113.02422	4.4
119.04972	2.3
121.06566	5.3
141.01939	2.6
148.05260	6.5
153.09105	2.6
155.10753	5.5
163.07640	17.8
169.90471	2.7
185.00909	23.3
194.78954	2.3
199.09785	2.5
349.18475	9.8
385.16165	11.2
385.22281	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	385.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15800	0.6
55.01877	2.5
57.03446	3.0
58.00583	4.5
59.01374	100.0
60.01719	0.9
61.98832	2.1
69.03452	3.9
69.26008	6.2
71.01376	78.4
72.01720	1.3
72.99303	6.3
73.02943	10.8
73.73492	0.6
75.00874	1.4
83.01377	5.0
83.01806	0.7
85.02946	22.9
86.03279	0.8
87.00872	12.5
89.02441	78.5
89.90834	0.6
90.02785	0.8
95.01379	5.7
96.96005	1.4
97.02990	1.3
99.00865	5.1
101.02436	47.9
104.42047	0.6
111.00892	2.9
113.02441	34.2
119.03493	39.2
120.03812	1.1
121.06566	0.9
125.02414	1.0
129.01898	3.0
131.03522	1.9
134.03746	1.0
137.09692	2.1
143.03497	6.6
143.04556	1.0
149.02518	0.9
149.04550	2.9
149.09737	1.1
159.02995	2.4
161.04546	13.3
161.05893	1.0
161.09715	4.3
163.11252	1.2
164.04776	0.7
171.08192	1.2
173.09676	0.8
174.90685	0.7
175.07634	2.1
175.11362	0.7
176.08426	4.9
177.12781	0.8
179.05588	11.0
185.00925	1.9
187.11263	29.6
188.11656	1.9
189.09238	2.5
190.09961	6.1
203.10857	2.2
204.11530	10.1
205.12308	31.6
206.12701	2.6
215.10814	2.3
223.06183	1.9
223.13377	1.4
233.11809	18.1
234.12103	1.4
259.13376	4.2
277.14420	8.9
278.14938	0.9
302.08261	0.6
385.13940	6.2
385.18829	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	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.4
57.03436	1.1
59.01377	59.4
67.01900	1.6
69.03454	100.0
70.03789	1.4
70.50286	4.0
70.93608	1.1
71.01380	13.0
72.99319	3.3
73.02933	2.0
75.87199	1.1
77.87666	1.1
79.01891	4.7
83.05000	1.0
85.02946	7.6
89.02458	9.1
95.01389	5.8
95.05096	1.0
96.95986	1.2
97.02953	19.8
99.00881	27.8
101.02441	4.9
111.04544	1.4
113.02428	10.2
119.03503	2.7
120.05848	1.6
133.10185	1.4
135.11804	14.8
141.01924	9.5
149.09671	1.4
155.10741	4.7
159.08186	1.7
159.11755	3.1
161.04539	1.6
161.09720	12.8
177.12810	1.2
179.05620	1.7
179.10770	82.5
180.11086	5.5
185.00903	70.8
186.01212	3.3
199.09729	1.7
203.10719	8.3
205.12325	1.2
209.77422	1.0
221.11841	3.1
223.09753	53.4
224.10078	3.7
237.18272	1.1
265.10861	4.0
311.15045	1.1
326.07959	1.4
385.11090	9.9
385.15280	3.0
385.22260	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.6
59.01378	44.5
61.25286	1.2
61.98831	6.6
63.85570	1.5
68.80421	1.3
69.03457	100.0
70.77592	2.5
70.77954	2.6
71.01380	23.7
72.99312	6.1
73.02940	3.1
78.20113	1.4
78.73560	1.1
79.01900	4.9
83.01419	2.4
83.05045	3.4
85.02959	10.9
87.00855	1.2
89.02446	18.6
90.06108	1.3
95.01395	4.5
95.83434	1.2
96.96008	1.9
97.02955	19.4
97.06590	1.7
97.90742	1.2
99.00888	26.9
101.02436	10.4
113.02459	16.2
119.03505	8.2
120.05795	3.0
133.10226	4.7
135.11810	13.8
141.01938	12.8
143.03551	1.5
146.07404	3.3
151.11255	3.4
155.10754	5.6
159.08217	2.9
159.11777	2.9
161.04549	2.8
161.09718	30.1
162.10054	2.2
177.12798	2.6
179.05551	3.3
179.10773	90.6
180.11082	4.7
185.00909	77.4
186.01109	2.6
199.09772	1.6
203.10760	9.1
221.11624	2.0
223.09756	63.5
223.13336	5.9
224.09999	4.4
265.10812	4.6
367.14084	1.6
385.11246	15.5
385.23016	5.5
386.11618	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47769	0.6
59.01379	100.0
60.01724	1.1
61.98826	0.8
68.85406	0.6
69.03447	3.1
69.16562	5.1
71.01382	5.8
73.02949	1.3
78.00713	0.5
80.21432	0.4
81.28881	0.7
83.05037	0.7
85.02966	2.0
88.58971	0.5
89.02465	0.9
96.96031	0.8
97.02970	0.8
99.00893	1.0
101.02473	2.3
104.64813	0.5
113.02483	1.6
121.06586	7.6
135.11829	1.1
138.72552	0.5
148.05290	5.8
155.10820	1.1
159.03024	0.9
161.04543	4.5
161.09760	0.8
163.07669	4.7
179.10796	3.4
185.00916	2.9
199.09732	0.7
202.02257	0.8
223.09785	4.0
244.00046	0.5
385.22614	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.3
57.03454	1.1
59.01376	23.7
69.03452	100.0
69.61389	1.3
69.61800	3.1
70.03782	1.9
71.01376	8.2
72.99314	1.7
73.02948	1.7
78.70664	0.6
79.01881	6.8
85.02941	4.0
87.00903	0.8
89.02435	3.8
95.01385	3.9
97.02950	15.4
99.00872	27.9
101.02425	3.2
113.02447	4.4
119.03474	1.4
123.00898	1.1
135.11754	1.3
141.01926	11.8
146.65152	0.7
155.10753	6.3
156.19301	0.6
161.04559	0.6
161.09776	1.1
163.11244	2.2
165.09169	0.7
169.89287	0.6
172.99422	0.7
179.10764	10.8
180.11092	1.1
181.10924	1.0
181.12305	5.3
185.00897	79.9
186.01218	2.4
187.11247	1.0
189.12849	1.0
199.09775	2.3
203.10728	1.1
205.12309	1.9
223.09732	5.6
227.17191	0.7
265.10590	0.9
278.48279	0.8
325.45020	0.8
385.11282	12.2
385.15417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.114
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
50.81504	0.6
57.93872	0.6
59.01378	1.4
59.01738	0.5
71.01386	1.0
80.46498	0.6
93.03466	1.0
98.05924	0.6
121.02938	5.4
134.03708	1.0
135.04521	3.3
149.02435	40.7
150.02734	1.5
151.04050	0.8
152.01154	5.4
163.04004	5.8
164.04791	30.4
165.01898	2.1
165.05099	1.5
167.03487	1.0
169.05060	2.4
179.07130	10.6
180.07529	0.7
193.01414	18.6
194.01738	0.9
208.03767	38.2
209.04051	2.4
223.06105	100.0
224.06451	5.3
241.81497	0.7
319.25247	0.6
385.11340	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.6
55.01872	1.3
57.03432	1.1
57.45949	1.0
58.02966	1.3
59.01372	11.5
61.98829	2.9
66.42760	1.1
67.01878	1.9
68.07313	1.2
69.03453	52.0
70.02974	1.9
70.03780	1.4
71.01372	11.5
71.25333	2.4
72.99294	2.2
73.02935	3.1
79.01884	13.3
80.62463	1.1
85.02940	7.7
87.00869	2.6
89.02418	3.5
95.01403	8.9
96.00893	4.5
97.02944	54.7
98.03275	2.1
98.73209	1.0
99.00877	10.2
101.02428	4.8
103.13084	1.0
110.12377	1.1
113.02430	3.9
114.01970	3.8
119.03490	1.8
123.00879	2.9
129.01930	1.5
131.04582	1.9
134.03734	4.8
135.08144	2.5
137.09717	9.6
141.01936	73.8
142.02280	1.9
145.31570	1.1
152.08368	1.6
153.09227	3.3
155.10771	100.0
156.11093	5.9
159.02957	1.4
161.04584	1.8
172.15752	1.1
181.08632	1.9
185.00899	50.8
186.01222	2.6
193.05077	2.6
193.12488	1.2
199.09749	40.5
200.10081	1.8
203.01970	11.9
205.08678	2.1
205.12331	1.8
215.51489	1.4
223.13487	1.2
324.15582	1.8
325.13260	1.4
385.11383	36.8
385.19125	6.7
386.11649	4.9
386.19290	2.0
400.02515	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
57.03447	13.6
59.01378	7.1
61.98820	1.3
68.99795	0.7
69.48038	2.1
69.48460	1.5
71.01374	3.5
72.01697	0.5
72.99293	1.3
73.02932	0.9
75.00868	1.3
83.01385	1.8
84.02155	2.8
85.02946	100.0
86.03268	2.6
87.00874	1.7
89.02448	1.5
91.18129	0.5
101.02422	0.9
103.00392	1.3
104.07788	0.6
107.02452	0.5
115.00331	0.9
117.03499	1.0
119.05018	1.0
129.01942	6.0
134.03752	4.6
135.04166	0.6
147.02991	10.1
153.77625	0.5
191.01964	32.6
192.02353	1.5
193.05020	3.0
209.03012	11.0
215.65045	0.5
262.44217	0.5
385.07455	0.9
385.11740	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	385.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.0
57.03449	12.3
59.01376	12.5
60.01711	0.6
61.98827	4.0
68.99809	1.2
70.82661	1.0
71.01376	3.9
72.99292	1.2
73.02914	0.5
75.00877	1.2
83.01388	2.0
84.02177	3.7
85.02947	100.0
86.03293	2.3
87.00874	1.5
88.44448	0.4
89.02426	1.5
96.96041	0.7
101.02459	0.8
103.00368	1.7
115.00385	0.6
119.05032	4.5
129.01932	6.0
129.45088	0.4
133.01411	0.9
134.03745	5.1
147.02972	8.7
149.06055	0.5
151.04028	0.7
157.43471	0.5
163.04019	3.8
181.07253	0.5
181.55237	0.4
185.04662	0.6
191.01962	31.8
192.02362	0.8
193.05019	2.9
209.03023	9.3
211.06213	0.5
214.96860	0.5
223.06067	1.0
223.13542	0.5
269.28445	0.5
274.59747	0.5
330.08749	0.6
385.07825	0.6
385.12161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
57.03444	2.1
59.01376	6.6
61.98829	100.0
62.17860	0.6
66.10016	0.5
71.01376	3.3
71.54147	0.8
72.99253	0.6
76.87776	0.5
79.86314	0.5
83.01397	1.0
85.02950	21.9
86.36393	0.6
87.00898	1.2
89.02465	1.9
93.03452	3.0
96.96014	1.6
99.00804	0.7
101.02467	1.3
110.26998	0.6
110.68058	0.6
113.02412	0.8
119.05037	3.1
120.05406	1.0
129.01936	1.3
133.01407	0.7
135.30977	0.7
137.02438	6.4
147.03029	2.3
149.02437	1.2
161.04599	1.1
161.38593	0.6
163.04054	2.6
164.04709	2.0
173.04524	0.8
179.07103	1.1
185.02229	1.0
191.01932	5.9
192.00450	0.6
193.05170	1.0
209.03091	1.8
222.00357	0.7
223.06184	2.6
241.85410	0.6
258.86972	0.8
349.15491	0.7
385.11743	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	383.1378
Annotation	DODECAMETHYLPENTASILOXANE
Peak:m/z	Relative Intensity
54.89726	0.8
58.99591	0.9
59.01380	37.3
61.98829	1.7
69.03425	0.8
69.52473	5.0
69.52862	1.3
71.01008	1.6
71.01382	23.5
72.01685	0.7
72.99306	1.3
73.02939	2.1
82.18245	0.7
83.01372	1.4
85.02948	4.7
87.00869	13.4
87.02718	1.2
89.02441	25.6
95.01368	2.1
97.02939	1.5
99.00905	0.8
101.02433	14.1
102.88440	0.7
113.02448	10.8
114.50421	0.8
119.03500	10.0
131.03554	0.8
133.06934	25.5
141.01929	1.0
143.03487	1.0
161.04561	3.3
179.05656	0.9
191.26166	0.7
203.02129	1.5
203.07468	1.4
249.06152	8.0
294.35873	0.8
295.12225	3.3
383.13794	100.0
384.14087	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	383.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29909	0.5
55.01884	4.0
57.03438	2.5
58.00578	1.1
58.53032	0.6
58.77728	0.7
59.01381	33.2
60.24173	0.6
61.98538	1.2
61.98832	16.7
69.03454	1.4
71.01381	58.4
71.53764	0.9
72.99300	2.2
73.02943	21.3
75.00876	3.8
76.01705	0.7
78.59605	0.6
81.03458	0.6
83.01382	7.7
85.02948	24.3
86.03248	0.8
87.00887	3.3
88.60884	0.6
89.02440	21.2
89.06052	0.6
95.01385	4.8
96.96013	15.7
97.02940	2.7
99.00884	12.1
99.04528	0.7
101.02442	49.1
102.02755	0.7
106.20216	0.6
108.02161	2.0
109.02951	1.0
111.00887	1.3
113.02446	20.2
115.03989	2.0
119.03493	2.7
124.91920	0.6
125.02474	4.0
129.01944	1.4
131.03477	4.0
133.06610	0.7
143.03537	3.1
149.04536	6.0
151.25549	0.6
153.01904	1.3
159.02995	5.6
161.04550	26.4
162.04829	0.9
177.03856	0.9
177.05591	1.6
179.05482	0.6
191.05647	1.3
196.65958	0.6
205.03554	0.7
219.81662	0.7
221.04517	1.4
221.10341	1.9
223.99962	0.8
233.06726	3.6
250.98729	0.7
251.11348	55.4
252.11656	3.4
285.06195	1.3
293.08887	1.8
337.14954	1.4
341.94418	0.8
383.15552	100.0
384.15939	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	383.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97410	0.5
55.01878	5.0
59.01382	3.8
61.98820	0.7
66.32428	0.6
67.01900	1.0
69.03455	100.0
70.03793	2.5
71.01382	3.1
71.54992	0.6
72.99306	1.8
73.02953	0.5
79.01888	4.8
80.05054	0.5
83.99442	0.6
85.02961	2.8
89.02462	0.9
95.01379	3.3
96.95957	0.8
97.02950	21.1
98.03307	0.9
99.00880	27.4
101.02402	0.8
113.02489	1.7
123.00907	1.6
133.10194	0.6
133.65431	0.6
135.08330	0.7
141.01941	10.9
153.09184	0.9
169.07892	0.6
176.43633	0.6
177.09291	0.7
185.00905	60.0
186.01292	2.3
186.55525	0.6
203.01981	3.1
203.07222	0.7
221.08223	1.1
284.35165	0.6
347.17340	0.8
383.09796	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	382.296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14558	0.3
54.43177	0.5
59.01377	100.0
60.01712	1.2
69.89075	1.8
70.57713	0.3
88.29735	0.3
89.52467	0.3
91.68173	0.3
115.53732	0.4
150.59106	0.4
177.38988	0.3
322.27515	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
57.03440	0.5
59.01074	0.4
59.01375	8.4
61.89889	0.4
61.98832	3.0
63.78515	0.4
70.91058	1.0
71.01380	8.5
73.02947	2.8
75.00880	0.8
79.95721	2.5
83.01389	1.2
85.02944	2.9
87.00864	0.5
89.02452	2.5
95.01407	0.6
96.96011	100.0
99.00884	1.6
101.02445	5.8
108.02168	10.9
109.02995	2.3
113.02451	3.5
119.03581	0.5
119.05011	0.6
125.02409	0.4
129.01913	0.5
131.03560	0.5
135.04686	0.5
137.02449	0.5
145.02972	0.5
147.91463	0.4
152.01146	7.4
153.01939	4.0
159.03003	0.4
161.04567	3.3
163.03946	0.9
176.01173	0.5
177.01955	1.5
178.02180	0.6
179.05545	0.5
191.05574	0.5
224.00017	2.5
225.00792	1.5
249.97859	3.4
250.98703	2.7
251.11353	7.7
268.18866	0.5
282.35956	0.5
285.06146	14.2
285.09332	0.8
286.06561	0.8
323.17081	1.4
341.10886	0.5
383.02814	7.3
383.10751	0.9
383.15616	11.3
383.20505	0.8
384.16211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	38.3
60.01715	2.2
60.10220	0.8
61.98830	42.6
71.01379	10.3
71.27155	1.6
72.99294	1.3
73.02963	1.6
75.00874	17.2
83.01379	1.6
85.02960	3.9
87.00879	15.8
87.04540	0.9
89.02438	6.8
95.01405	1.0
96.96010	2.8
99.00914	1.2
101.02424	7.1
113.02448	3.9
114.17188	0.8
115.05518	5.1
116.05059	2.9
119.03566	1.9
119.05023	33.2
128.05063	0.9
130.06601	7.6
132.04556	25.0
133.01440	0.9
133.04941	0.9
135.04501	2.5
136.04872	2.7
137.05090	0.9
144.04527	1.6
145.02924	2.9
154.06223	7.0
157.05276	0.9
158.06107	100.0
159.06453	6.1
161.02426	7.1
161.04492	1.5
163.04002	27.3
167.27478	0.9
174.05583	3.5
176.07207	1.7
185.00691	1.2
185.02200	15.1
199.31874	0.8
202.05093	38.9
203.05511	1.5
208.16368	0.8
218.99080	1.3
220.06192	7.9
220.99669	1.3
221.04510	3.8
221.06377	0.9
237.06120	8.0
249.06091	11.2
262.07272	1.5
292.66003	0.9
299.05334	0.9
325.09387	1.0
344.09769	1.8
347.07626	2.1
382.11438	61.0
383.05243	6.6
383.11459	6.5
383.18726	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
59.01378	25.4
60.01706	1.9
61.98829	20.4
69.64625	4.3
71.01385	8.9
72.99271	0.8
73.02939	1.9
75.00464	1.2
75.00876	17.5
83.01385	0.8
85.02943	3.4
87.00875	17.3
89.02442	6.2
95.01416	0.7
95.67365	0.6
96.96049	0.8
99.00883	1.2
101.02454	6.2
113.02438	2.7
115.05531	5.8
116.00276	0.7
116.05041	2.7
119.03594	1.4
119.05031	13.1
124.46109	0.7
130.06642	9.4
132.04552	26.0
133.02888	0.7
133.04910	1.1
135.04510	1.5
136.04953	1.1
144.04570	1.6
154.06238	4.6
157.05353	1.3
158.06110	100.0
159.06470	4.5
161.02443	5.8
163.04008	12.7
174.05582	4.4
176.06863	0.7
185.02206	9.0
188.07225	0.8
202.05092	42.1
203.05377	3.2
216.93930	0.6
220.06160	7.6
221.04489	1.6
235.40990	0.7
237.06157	6.3
249.06149	10.0
262.07227	1.0
291.74792	0.7
347.07379	1.4
382.11420	69.0
383.05386	4.4
383.11765	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	381.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.0
61.98822	0.8
67.36501	0.5
69.81218	2.0
69.81623	1.0
75.31042	0.5
78.95909	0.8
94.80363	0.6
102.07065	0.5
137.06052	1.1
138.06863	0.7
149.06059	0.9
151.07646	1.4
151.24239	0.6
152.99594	2.9
170.05873	3.8
174.99283	0.7
175.97368	0.5
181.12401	0.5
192.11540	1.2
198.88734	0.6
199.13434	1.9
217.00304	5.0
226.43559	0.7
233.19086	1.9
235.20793	1.2
251.20135	3.0
261.18649	1.0
277.18085	73.9
278.18478	6.2
279.19666	25.1
280.19958	2.2
287.64648	0.6
289.58005	0.5
295.19138	100.0
296.19501	9.6
363.25430	18.6
364.25790	2.3
381.26553	8.3
382.26532	0.7
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
57.03449	0.5
58.12643	0.4
59.01371	3.9
61.98806	1.0
69.32567	0.4
71.05016	0.5
71.55311	0.6
77.73476	0.3
88.90291	0.4
93.01922	0.3
112.10589	0.4
127.11305	0.6
138.06946	0.4
151.11279	1.0
152.99599	1.2
153.12874	3.8
155.14389	0.5
163.11270	1.3
165.12846	5.0
170.05853	2.8
174.99168	0.6
179.10780	11.5
180.11154	0.7
181.12332	36.6
182.12622	1.3
192.11505	0.5
195.10236	1.6
197.11853	3.9
199.13385	100.0
200.13751	5.0
215.12845	2.4
217.00290	3.5
338.93115	0.4
345.24500	0.6
363.25409	5.7
364.25748	0.6
381.10992	1.2
381.26486	5.4
382.26584	0.8
396.91791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11407	0.2
59.01376	3.8
69.69228	0.9
69.69645	0.5
72.99305	6.4
75.00868	5.7
82.46004	0.2
83.53050	0.2
87.00869	1.7
105.01933	100.0
106.02239	1.7
106.03355	0.3
108.02611	0.2
125.62613	0.2
146.59764	0.2
217.00339	0.5
254.29317	0.3
272.01437	0.2
293.21185	0.9
381.22839	0.5
385.68817	0.2
390.18698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45253	0.6
51.21783	0.5
55.01877	4.6
57.03448	2.9
58.00592	1.3
59.01378	35.5
60.01709	0.7
61.98832	3.5
62.71498	0.5
68.99825	0.6
69.03451	1.0
69.55482	3.5
71.01382	39.4
72.14637	0.6
72.82064	0.5
72.99310	1.2
73.02943	24.4
75.00889	0.8
83.01385	8.8
85.02950	20.9
85.03468	1.1
85.06598	0.6
85.10543	0.5
86.00093	1.2
86.03269	0.6
87.00877	1.5
89.02448	5.9
89.29239	0.5
95.01367	2.8
97.02950	2.0
99.00877	9.4
101.02438	47.4
102.02775	0.8
105.28064	0.6
111.00822	1.2
112.01640	0.7
113.02451	17.6
114.02805	0.8
123.80141	0.7
125.02407	0.9
129.01942	1.9
131.03500	2.4
143.03494	1.6
144.57051	0.5
159.02937	3.5
161.04556	12.8
183.10257	0.9
191.05649	0.7
249.13414	73.5
250.13766	4.2
266.08008	0.6
330.50583	0.5
381.17630	100.0
382.17941	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	381.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30368	0.3
59.01379	100.0
60.01720	1.3
61.98831	1.2
66.80943	0.3
69.60423	0.7
69.60822	1.8
71.01385	3.4
73.02961	1.5
78.95909	1.1
83.01389	0.5
85.02939	2.3
89.02452	0.5
96.96036	0.4
99.00893	0.8
101.02439	4.0
113.02439	2.0
118.98157	0.4
119.72385	0.3
125.56904	0.3
152.99632	1.4
159.03067	0.5
161.04546	2.3
187.36653	0.3
188.35121	0.3
194.92093	0.3
255.80530	0.3
258.31100	0.3
275.09134	0.7
321.19147	12.3
322.19632	1.1
345.15558	0.4
381.19678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.9
57.03443	3.8
58.00594	1.0
59.01379	33.7
60.01707	0.9
61.98826	1.2
69.03442	1.5
69.71417	1.9
71.01380	45.3
72.01717	0.8
72.99305	1.9
73.02946	27.8
74.14822	0.3
75.00869	1.5
81.03484	0.6
83.00909	0.4
83.01380	11.2
85.02948	26.1
85.06594	0.4
86.00089	1.3
86.03304	0.9
87.00878	3.1
87.08147	0.9
89.02442	10.3
95.01388	3.2
97.02941	2.6
99.00877	10.7
99.04512	0.7
101.02441	58.2
101.43582	0.4
102.02789	0.7
111.00869	1.0
112.71806	0.5
113.02452	20.2
113.16979	0.5
114.02796	0.5
115.03999	1.9
119.03493	1.0
123.12752	0.5
125.02449	3.7
129.01930	1.6
131.03494	2.9
143.03490	2.6
149.04514	1.5
157.08696	0.7
159.02992	3.3
160.03291	0.4
161.04556	17.2
161.05899	1.0
162.04877	0.6
191.05663	0.6
199.40230	0.4
204.89311	0.4
227.32079	0.4
233.06610	1.9
249.13414	96.3
250.13728	6.3
281.62888	0.4
293.08905	0.7
293.12250	0.7
343.34283	0.5
381.17630	100.0
382.13620	0.7
382.18039	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	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.8
56.87577	0.4
57.03458	2.8
58.00588	1.1
59.01378	35.1
60.01697	0.8
61.98820	0.8
66.91850	0.5
69.03452	2.9
69.54376	2.2
71.01380	43.4
72.01714	1.0
72.99298	2.3
73.02947	25.6
75.00856	1.4
83.01379	9.5
85.02950	22.0
85.03467	1.1
85.06537	0.8
86.00090	1.6
87.00874	3.0
87.08147	1.0
89.02447	9.3
95.01392	3.9
96.16308	0.5
97.02932	2.2
99.00261	0.9
99.00875	11.8
101.02439	50.2
111.00870	1.9
113.02448	17.6
114.02777	1.3
115.03977	0.8
119.03501	0.8
125.02446	1.7
129.01956	1.1
131.03505	1.9
141.01973	1.0
143.03479	2.2
149.04514	0.4
154.54944	0.4
157.08723	1.0
159.03012	3.6
161.04549	15.8
183.10178	0.7
185.00894	0.7
221.11639	0.5
233.06728	0.6
234.77705	0.5
249.13422	78.3
250.13759	5.1
286.10669	0.6
381.17636	100.0
382.18008	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	381.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76714	0.8
58.03334	0.8
61.66023	0.8
61.98817	1.6
70.81053	2.6
76.35931	0.8
77.09044	0.8
79.95737	9.0
80.28582	1.0
80.96492	0.9
82.59230	0.8
94.98093	1.1
95.95249	1.7
96.96013	68.3
99.92586	60.9
100.92603	3.6
100.93359	2.3
115.92081	33.3
116.92860	100.0
117.92869	6.0
122.97604	3.9
138.51666	0.8
154.66582	0.7
164.40912	0.8
227.90793	0.8
253.08865	0.9
337.18192	0.9
351.16547	1.2
369.17255	1.5
372.98212	0.9
381.17349	80.4
381.23117	83.0
382.17554	12.5
382.23468	9.2
395.15213	1.4
404.42200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98824	1.9
71.54663	1.7
72.34200	1.2
138.10822	1.3
141.97014	1.7
152.99565	4.3
156.92897	1.4
161.43073	1.3
217.00258	10.5
380.20441	4.0
381.19952	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12947	0.3
52.10141	0.4
57.59606	0.3
58.36126	0.3
59.69000	0.4
63.02396	3.2
65.00009	0.4
65.00325	5.6
71.01362	0.4
73.12095	0.4
83.01391	4.0
98.20693	0.5
103.24020	0.3
107.01387	11.7
108.02202	4.1
123.04521	3.2
125.02454	0.6
134.03735	15.8
135.04182	0.4
136.01642	2.5
147.82936	0.4
149.06076	14.8
150.06419	0.8
151.00363	40.7
152.00688	1.4
164.01164	6.7
165.01944	2.0
169.01555	0.7
174.03177	0.8
175.03981	0.4
177.01936	4.4
185.02577	0.4
196.00114	2.0
201.01913	0.7
240.04170	0.4
242.05658	0.5
255.02899	0.6
258.05356	0.5
285.03931	0.8
286.04694	2.4
301.07147	100.0
302.07480	9.9
363.07776	0.4
381.02841	21.4
382.03265	2.3
388.05521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0981
Annotation	Rikuzenol
Peak:m/z	Relative Intensity
50.45601	0.4
50.53119	0.4
59.01158	0.3
59.01382	4.2
61.98820	0.6
63.02395	1.0
65.00356	0.7
67.37183	0.4
69.47269	0.7
69.47607	3.3
77.16035	0.5
96.96020	0.6
107.01392	1.0
148.01593	0.5
151.00340	1.5
152.88344	0.4
174.99240	0.9
183.04510	1.1
211.04050	0.5
217.00323	5.0
227.03551	1.1
242.02051	0.5
255.02991	100.0
256.03342	8.3
283.02487	27.3
284.03125	5.0
305.17657	0.8
306.95166	0.5
309.20828	1.0
327.15631	0.6
341.76651	0.5
381.09796	87.7
382.10104	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	380.1558
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
59.01379	20.8
60.91600	0.5
61.98827	3.8
63.78045	0.5
63.99249	0.8
68.18438	0.5
70.81907	1.4
71.01381	34.0
71.05023	7.0
71.80136	0.5
72.00907	0.6
72.99300	0.6
73.02943	1.8
76.97562	0.5
83.01388	1.5
85.02949	2.7
88.04035	4.4
89.02445	9.9
95.01370	1.0
96.96013	1.3
99.00899	1.0
99.04530	2.1
101.02447	9.9
113.02451	4.2
116.03507	0.6
116.07126	1.1
119.03468	2.6
126.09270	0.7
128.07202	2.6
129.05629	0.8
131.03464	0.6
135.04533	1.8
136.04869	1.5
136.44708	0.5
137.02422	0.9
146.08235	58.0
147.08566	2.3
161.04520	1.3
179.05443	0.5
180.06534	0.6
200.09174	1.0
217.00276	1.2
263.11295	0.9
308.13498	6.0
320.14145	0.9
362.14505	1.3
380.15598	100.0
381.15887	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	380.206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10086	0.2
59.01394	0.7
61.98834	100.0
69.36050	1.8
84.61037	0.2
93.61253	0.2
94.21489	0.2
168.82396	0.3
277.18137	0.9
291.62759	0.3
295.19183	1.0
295.22769	0.9
380.20502	7.8
381.20911	1.0
382.98596	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	76.3
60.06962	18.7
69.40614	57.2
69.41038	100.0
71.18227	16.6
74.02457	81.0
77.64805	20.5
95.04959	20.9
129.45331	20.1
270.17896	22.0
343.25122	20.9
350.23260	28.4
379.21600	26.9
380.24408	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26633	0.3
57.03440	0.4
58.00585	0.6
59.01378	6.8
61.98843	0.3
62.63543	0.2
62.63863	0.3
69.53763	1.6
71.01375	4.7
72.99326	0.5
73.02938	2.2
83.05021	1.2
84.02161	0.6
85.02951	0.5
87.00891	0.4
89.02435	1.2
96.95975	0.3
97.06599	0.5
99.08157	0.9
109.06561	0.3
111.08174	1.3
113.09729	1.1
121.06589	0.3
123.08152	2.5
125.09721	2.5
127.07648	0.3
127.11292	0.5
129.09215	2.6
134.03703	0.8
135.04509	0.7
135.08124	0.3
136.90913	0.3
137.09714	0.9
139.11333	0.3
141.09212	6.9
143.10777	0.6
149.09744	0.4
153.08055	0.4
153.09207	4.4
155.10742	1.6
167.10780	0.5
171.10295	1.6
176.23427	0.2
177.09216	0.4
179.09122	0.3
183.10265	1.2
185.11815	0.7
187.09738	7.0
188.10049	0.4
195.10214	0.4
201.11302	0.8
211.13397	1.0
217.10786	4.3
218.11168	0.4
229.10764	1.8
263.09167	0.7
291.35834	0.3
315.21655	0.4
333.22662	0.5
343.21225	0.7
358.72815	0.3
361.22330	5.1
379.23340	100.0
380.23706	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
57.03458	1.2
58.00568	1.3
58.09831	0.9
59.01380	100.0
59.65965	1.0
60.01711	0.9
61.98835	4.8
66.80080	0.9
71.01380	20.9
71.55116	1.3
72.99327	1.2
73.02949	15.8
76.91159	1.0
83.01401	2.3
85.02940	6.9
87.00810	1.1
89.02446	10.5
96.96024	2.0
99.00900	3.5
99.04536	4.2
99.08161	3.5
101.02445	12.8
113.02424	5.7
121.02901	2.3
121.83194	1.0
126.55080	0.9
127.07651	1.1
127.11305	1.4
129.09221	6.7
131.03493	1.8
133.01431	1.4
143.10742	2.4
152.99658	1.2
159.03008	1.9
159.80258	1.0
161.04552	13.9
167.14413	3.6
187.13382	1.6
198.17992	0.9
202.77623	1.0
211.13390	3.1
229.14456	5.2
247.15535	2.9
317.19565	1.1
319.17560	30.7
320.18066	1.7
337.17639	1.9
341.11218	1.4
361.18683	10.4
379.19714	58.6
380.20105	6.3
403.18234	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61684	0.4
50.69556	0.4
55.01855	0.6
59.01378	100.0
59.30859	0.4
60.01716	1.6
60.29815	0.5
60.36051	0.5
61.98825	4.1
71.01379	11.9
71.54463	0.5
72.99306	0.9
73.02954	2.0
75.33361	0.5
83.01395	1.0
85.02956	3.7
87.00900	0.6
89.02443	11.6
95.01405	0.6
99.00896	1.4
99.04556	0.5
101.02443	9.4
113.02450	5.3
115.00426	0.7
119.03501	4.6
121.02979	0.5
131.03554	0.6
143.03484	1.1
149.04486	0.5
159.03091	0.8
161.04568	4.0
166.17938	0.4
177.23288	0.4
179.05562	2.9
254.44560	0.5
304.43274	0.5
319.17587	27.8
320.17920	3.6
341.10956	1.5
359.07224	0.5
379.08679	0.8
379.19510	4.4
380.20132	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83617	0.8
55.01878	3.4
57.03442	2.3
58.00577	2.6
59.01378	100.0
61.98825	6.0
69.03459	1.4
69.58743	4.7
71.01378	59.5
72.01704	1.0
72.99309	2.4
73.02942	16.3
75.00906	1.1
83.01397	4.5
85.02946	15.1
87.00865	2.9
89.02441	78.2
90.02777	1.1
95.01395	4.3
97.02951	1.6
97.06600	1.2
98.20638	1.2
99.00874	18.9
101.02436	43.2
113.02445	22.9
115.03978	1.4
119.03500	23.4
125.02447	4.3
131.03503	10.9
135.04501	5.2
139.07634	1.1
143.03493	5.5
149.04553	21.8
150.04883	1.2
155.10779	2.8
157.08661	5.6
161.04532	8.4
169.22737	0.8
179.05583	11.1
179.07021	1.2
191.05621	8.1
199.09822	1.1
215.09122	1.5
217.10904	6.7
218.11127	1.2
233.06686	3.7
247.11877	16.3
292.24771	0.8
303.44656	0.7
319.14005	3.3
341.11108	1.2
379.16064	72.3
380.16299	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	378.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42356	0.4
58.43107	0.4
59.01375	1.1
61.98831	100.0
71.54890	0.6
96.96042	0.7
116.07285	0.4
293.21213	0.4
378.18881	2.7
378.30215	1.4
379.28476	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1583
Annotation	DMH-1
Peak:m/z	Relative Intensity
59.01379	0.7
61.98832	1.1
66.08218	0.5
67.74072	0.4
69.45243	2.5
84.93900	0.6
96.96047	0.6
99.92589	71.4
100.92604	4.2
100.93375	2.3
109.26741	0.4
111.98393	0.4
115.92081	35.4
116.92863	100.0
117.92888	5.7
117.93666	0.8
127.95709	0.4
158.91631	0.4
200.68953	0.4
229.01628	0.6
279.23242	2.2
317.15652	0.8
327.89658	0.4
335.16858	1.0
353.16537	0.5
361.14868	0.6
367.15839	0.8
375.12701	2.0
376.12759	0.6
379.15814	64.9
379.28378	2.4
380.11191	0.6
380.16031	10.9
393.13779	3.3
394.13950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1609
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.83617	0.8
55.01878	3.4
57.03442	2.3
58.00577	2.6
59.01378	100.0
61.98825	6.0
69.03459	1.4
69.58743	4.7
71.01378	59.5
72.01704	1.0
72.99309	2.4
73.02942	16.3
75.00906	1.1
83.01397	4.5
85.02946	15.1
87.00865	2.9
89.02441	78.2
90.02777	1.1
95.01395	4.3
97.02951	1.6
97.06600	1.2
98.20638	1.2
99.00874	18.9
101.02436	43.2
113.02445	22.9
115.03978	1.4
119.03500	23.4
125.02447	4.3
131.03503	10.9
135.04501	5.2
139.07634	1.1
143.03493	5.5
149.04553	21.8
150.04883	1.2
155.10779	2.8
157.08661	5.6
161.04532	8.4
169.22737	0.8
179.05583	11.1
179.07021	1.2
191.05621	8.1
199.09822	1.1
215.09122	1.5
217.10904	6.7
218.11127	1.2
233.06686	3.7
247.11877	16.3
292.24771	0.8
303.44656	0.7
319.14005	3.3
341.11108	1.2
379.16064	72.3
380.16299	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	378.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18393	0.3
59.01372	2.7
61.98830	100.0
69.55336	1.9
71.01385	0.8
80.22984	0.3
89.02461	0.7
96.96013	0.4
98.90067	0.3
101.02449	0.3
111.04520	0.4
120.12281	0.3
123.04490	0.8
135.04517	6.4
136.04855	2.4
151.33926	0.3
153.05594	0.9
173.56081	0.3
179.03494	0.7
180.03841	0.3
180.06714	1.4
211.30920	0.3
337.15488	0.4
341.08820	0.8
342.11893	0.3
379.07333	0.4
379.16431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.3
59.45750	0.2
61.98829	100.0
77.25572	0.2
83.76497	0.2
90.68600	0.2
96.96049	0.3
105.31426	0.2
145.17903	0.2
191.31790	0.2
293.21451	0.6
341.09705	0.3
378.18927	5.4
379.19510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86435	1.4
59.01108	2.0
59.01382	26.3
61.51676	1.3
63.22642	1.5
70.49690	1.3
71.54919	2.2
73.21705	1.4
75.06680	1.2
79.34681	1.3
171.10260	26.2
251.23808	2.0
268.74817	1.6
277.21683	31.3
278.22064	3.3
295.22775	100.0
296.23175	10.3
317.20883	7.5
359.15616	2.1
377.23026	38.7
377.27155	4.3
378.23242	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	378.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.4
61.98830	100.0
71.01395	1.0
71.53210	0.4
73.02947	0.3
82.17618	0.3
83.35142	0.3
89.02409	0.7
101.02467	0.5
119.03516	0.3
123.04471	0.4
135.04529	6.7
136.04845	2.3
153.05589	1.1
161.04524	0.3
164.70793	0.3
179.03563	0.5
179.05568	0.4
180.06693	0.8
240.88739	0.3
297.09631	0.4
311.32184	0.3
319.14075	1.1
341.08853	0.8
342.08969	0.6
379.16095	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08753	0.6
59.01379	14.8
59.83022	0.7
65.14075	0.7
71.06765	0.7
71.55556	0.8
71.55899	0.6
95.05006	7.2
97.06551	1.0
113.09727	2.2
115.92700	0.6
122.75563	0.6
125.09743	0.7
154.14975	0.6
171.10255	1.7
179.14346	0.9
181.12433	0.7
195.13892	17.0
196.14185	1.3
217.12033	1.7
249.10979	1.5
249.22250	1.0
277.21716	19.4
278.11316	6.1
278.22064	1.6
295.22760	100.0
296.23059	8.3
315.19379	1.3
317.20929	51.1
318.21329	4.4
361.19922	4.4
377.22852	10.4
378.22589	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44135	0.9
55.01875	1.2
57.03451	1.8
58.00570	1.5
59.01378	100.0
61.98812	1.8
69.76796	2.1
69.77203	5.7
71.01382	19.1
72.99247	1.4
73.02933	4.8
74.08420	1.0
74.20229	1.0
83.01382	2.9
85.02959	9.8
87.00850	2.1
89.02434	8.2
95.01357	1.7
96.96008	1.3
97.64526	1.2
99.00885	3.6
101.02441	29.3
113.02465	8.7
119.03468	3.4
135.04526	1.4
143.03525	1.3
150.03183	2.7
153.09079	1.1
155.10800	1.6
159.02940	2.0
161.04552	12.5
165.05563	3.3
173.11804	2.0
204.38261	1.1
215.03270	1.7
215.09239	1.8
218.11861	1.5
314.25394	1.1
317.16025	61.3
318.16327	4.4
341.10864	6.2
352.35107	1.2
377.08398	2.5
377.14120	1.5
377.18143	1.6
377.25574	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	377.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
57.03450	1.4
58.00597	0.7
58.78898	0.3
59.01381	100.0
60.01717	0.9
69.35736	2.6
71.01384	19.9
72.01743	0.5
72.99316	0.7
73.02950	5.3
83.01391	2.6
85.02953	9.4
85.03468	0.5
87.00899	1.2
89.02451	6.0
95.01390	1.6
97.02969	0.6
99.00864	1.9
101.02445	15.5
102.02790	0.5
110.84540	0.3
111.00932	0.6
113.02448	8.0
119.03496	2.2
125.02482	0.7
127.11299	0.6
129.01913	0.4
133.01462	0.3
143.03505	1.0
159.03009	1.7
159.06792	0.3
161.04556	8.0
173.15483	2.0
201.11334	0.4
205.03563	0.4
296.43311	0.3
305.17593	0.6
317.19852	1.5
335.20752	25.7
336.21149	2.4
341.10800	0.3
341.19925	0.7
403.66513	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1451
Annotation	Lamiol
Peak:m/z	Relative Intensity
55.36132	0.4
57.03425	0.4
59.01373	1.7
59.26668	0.4
70.54301	0.9
70.54642	0.7
71.01369	0.8
73.02942	6.5
85.02963	2.3
85.03391	0.4
85.06592	0.9
87.04507	1.4
97.02956	0.5
105.36944	0.4
113.02421	0.5
123.08157	4.8
135.08115	2.5
141.09209	30.3
142.09566	1.1
149.56041	0.4
153.09206	12.5
154.09488	0.7
164.15620	0.4
167.07176	0.5
171.10260	26.9
172.10596	1.7
185.08170	4.7
197.08186	5.7
215.09221	100.0
216.09544	7.3
239.09105	2.0
257.10266	3.8
335.03137	0.4
377.14481	4.8
378.14899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
58.00591	0.5
59.01378	3.1
61.98844	0.5
64.50291	0.2
69.03478	0.5
69.50968	1.0
69.51379	0.5
71.01373	0.6
71.05005	0.3
73.02933	0.8
80.25104	0.2
85.02945	0.4
87.04502	0.6
89.02442	0.2
90.94897	0.2
96.95978	0.5
97.06569	0.6
101.02451	0.3
109.06595	0.4
111.08141	0.3
113.09744	0.4
113.93639	0.2
123.08151	1.0
125.09696	0.5
127.07638	0.3
127.11271	0.4
133.41403	0.2
135.08128	0.5
137.09723	0.3
139.11299	0.3
141.09271	0.4
141.12843	0.4
143.10754	0.4
153.09171	0.5
155.10757	0.5
157.12343	1.6
169.12347	1.0
171.10176	0.3
171.13869	0.2
174.99200	0.2
185.11848	2.0
201.11223	0.5
214.12206	0.2
215.12804	1.0
217.00261	1.0
235.57967	0.2
251.20076	0.5
287.22412	0.3
311.22284	0.9
327.21823	0.4
327.25443	0.7
329.23270	2.6
339.25281	0.4
341.23489	0.3
355.24713	0.3
357.26358	3.6
358.26620	0.7
371.24652	0.3
373.25995	1.9
374.25998	0.3
375.27484	100.0
376.27798	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1423
Annotation	Go 6976
Peak:m/z	Relative Intensity
57.56530	0.4
61.98815	1.0
66.06191	0.5
69.43580	3.0
77.91185	0.4
84.93872	0.7
96.95975	0.7
98.20623	1.0
99.92583	82.6
100.90451	0.7
100.92591	4.5
100.93366	2.6
115.92076	39.2
116.92858	100.0
117.92879	5.5
118.09524	0.6
193.94229	0.5
277.21710	1.3
290.06067	1.0
299.05676	0.8
308.07132	2.2
315.14453	0.8
322.08386	0.6
333.15472	0.7
359.13211	1.8
373.11072	3.2
374.11261	0.8
377.14240	55.1
378.14456	9.2
391.12131	4.8
392.12207	0.9
401.06476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03441	1.2
58.00603	0.8
59.01375	9.4
59.12369	0.4
61.98841	0.6
69.52022	3.4
71.01377	4.4
73.02943	8.0
73.93671	0.5
75.65382	0.5
76.21335	0.5
85.02950	4.6
87.00862	0.6
87.04513	4.6
89.02425	3.4
95.01398	1.2
97.02953	3.6
97.06577	3.3
98.20656	0.6
101.02464	2.9
108.71574	0.6
113.02434	5.8
119.03480	0.8
121.06668	0.5
121.10234	1.0
123.08155	6.7
125.09723	1.1
132.49307	0.6
134.03737	1.5
135.04518	100.0
135.08102	4.9
136.04839	4.1
137.09673	1.1
141.05577	2.6
141.09212	16.7
142.09471	0.7
151.03998	1.1
153.09207	15.9
155.10812	1.2
161.04541	1.6
165.09213	1.8
167.07126	1.0
167.10777	0.7
171.08789	1.0
171.10262	16.2
172.10545	1.0
179.03470	6.7
183.10255	1.9
185.08145	2.4
197.08189	7.7
199.09674	0.7
200.91586	0.6
209.08176	1.4
215.09219	59.6
216.09538	4.4
229.10921	1.2
229.27998	0.5
257.10281	25.6
258.10635	2.2
276.37521	0.5
297.09760	5.6
317.12445	2.2
341.08612	18.9
342.09039	1.9
350.10809	0.5
353.45819	0.6
359.13464	2.0
360.13916	0.5
377.06519	4.5
377.14423	14.3
377.21967	1.4
378.14752	1.3
378.38580	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.9
61.91675	0.4
62.91602	0.4
63.75545	0.4
67.05502	0.5
68.37437	0.4
71.01376	1.4
71.20047	0.5
73.02944	5.7
75.91057	0.4
85.02945	3.2
85.06589	0.9
87.04514	1.1
89.02450	0.7
97.02970	1.0
101.02422	0.7
106.69697	0.4
113.02489	0.7
116.57861	0.3
116.76708	0.4
123.08157	4.8
125.09731	0.9
125.44010	0.4
130.30566	0.4
135.04471	0.8
135.08177	2.5
141.09213	36.8
142.09480	1.9
149.09717	0.6
153.09209	13.9
155.10846	0.4
158.17220	0.5
165.09111	0.5
167.07031	0.8
167.10706	0.5
171.10262	34.4
172.10577	1.7
185.08189	6.6
194.44751	0.5
197.08173	7.0
199.09685	0.6
209.08060	0.4
215.09225	100.0
216.09598	5.0
226.50511	0.5
239.09225	1.7
247.26457	0.4
257.10199	3.4
271.44211	0.5
290.97623	0.4
377.14499	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	375.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	21.9
61.98838	1.4
63.09435	0.8
69.07960	0.8
69.68249	5.4
70.40557	0.9
77.58559	0.8
79.40928	0.9
83.93738	1.0
95.05029	39.1
96.05357	1.5
99.92590	2.4
115.92085	0.9
150.03012	1.1
187.28767	0.9
189.05383	0.9
195.13884	12.2
196.14409	1.7
205.12308	1.6
217.00253	1.1
223.13387	11.2
224.79547	1.0
228.13782	1.3
246.12344	14.3
256.13187	1.0
275.20084	5.4
276.20398	1.1
277.09677	0.9
278.11337	84.5
279.11633	6.9
293.21225	100.0
294.21518	10.0
315.19418	22.8
316.19672	2.2
337.23773	1.6
338.12210	3.9
375.21512	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	375.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.8
59.01380	23.1
61.98807	0.7
69.76245	3.3
78.02163	0.7
84.86056	0.8
85.06586	1.1
93.03463	1.2
97.06604	1.1
98.19957	0.9
109.06633	1.2
111.08149	1.1
113.09732	20.6
121.06580	1.7
121.10238	1.4
139.11287	2.9
149.09727	1.0
154.89215	0.7
167.10791	3.3
171.10287	4.3
177.12904	1.5
179.10786	1.9
183.37212	0.8
184.74153	0.7
195.13889	3.1
217.00243	1.3
217.12202	1.9
231.09953	0.8
235.17014	0.8
247.09612	1.0
247.20589	1.9
249.11102	2.9
249.22211	2.2
272.14011	2.0
275.20206	5.8
279.12158	1.1
293.21234	86.3
294.21555	10.4
315.19400	100.0
316.19778	11.4
375.21356	6.3
376.22058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63230	1.6
59.01111	2.7
59.01380	41.7
61.98822	4.0
62.71034	1.5
65.87939	1.5
72.42812	1.6
89.89791	1.7
95.05047	2.9
99.66602	1.6
121.10230	23.4
122.51000	1.5
171.10269	53.7
172.10553	3.4
176.27235	1.8
183.13789	7.3
185.11800	3.3
195.13853	1.8
202.86539	1.6
207.09955	1.9
217.00232	6.1
231.21152	5.6
235.17056	3.7
249.18388	2.1
275.20145	87.9
275.99725	1.7
276.20526	8.6
278.11346	10.9
293.21225	100.0
294.21497	11.3
297.18280	2.6
315.19388	59.2
316.19556	4.1
328.27811	1.5
329.17334	2.1
359.18277	6.6
371.15628	1.7
375.21436	39.7
376.21228	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	375.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87950	0.5
57.03428	0.5
59.01379	100.0
60.01698	0.9
61.98839	0.6
63.71478	0.5
69.73003	2.7
71.01377	2.4
85.02969	0.7
89.02425	3.4
101.02456	1.5
113.02458	0.9
119.03534	1.1
121.03008	0.6
167.07207	0.6
174.99197	0.6
217.00359	2.4
318.04337	0.6
321.17145	1.5
353.61038	0.6
375.26639	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	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01709	1.2
61.98837	1.7
69.03474	0.7
69.24169	1.4
69.24577	4.2
71.01379	4.0
73.02960	1.2
85.02958	1.5
89.02446	0.9
91.29255	0.6
97.02946	0.8
97.06604	0.5
101.02431	1.3
109.06604	1.1
113.02485	1.3
115.07607	0.5
121.02916	1.3
123.08199	0.7
123.60493	0.5
125.09764	0.7
134.03731	0.7
137.06120	2.6
145.84712	0.6
150.05644	0.6
151.06410	2.0
161.04607	2.6
167.07127	1.6
171.10364	0.9
174.99208	0.7
201.11377	1.0
209.11908	1.7
217.00243	4.9
225.11430	0.5
225.15016	1.4
227.12999	0.6
302.32648	0.6
315.18372	1.1
321.17090	5.1
339.18259	1.5
375.27582	5.1
376.28137	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72095	1.8
53.28980	1.8
59.01380	43.6
61.98840	3.8
91.35901	1.8
95.05024	34.3
96.95995	1.8
99.56991	1.9
108.67750	2.1
118.59509	2.1
123.80944	2.0
133.56361	2.2
143.48335	2.3
150.03169	1.9
171.10175	2.3
174.99194	4.9
195.13872	10.6
217.00311	24.1
223.13396	4.0
246.12431	10.6
258.50729	2.2
275.20148	7.1
276.20255	2.4
278.11359	75.5
278.14371	4.6
279.11673	5.5
293.21237	100.0
294.21735	9.9
315.19366	23.4
338.12143	8.0
375.21674	16.0
376.21738	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	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
63.68980	0.5
70.86539	0.9
70.86894	1.3
74.99083	2.2
81.76013	0.6
105.70087	0.6
149.00932	0.6
159.08461	10.0
161.06381	1.9
192.98236	0.7
209.01219	2.1
209.65022	0.6
217.07262	1.2
229.53380	0.8
277.07471	2.3
289.07513	1.7
290.07474	0.6
291.09085	94.6
292.09131	10.8
309.10242	1.1
357.13739	2.0
359.15323	100.0
360.15509	16.4
375.18405	10.4
376.18616	2.2
377.16467	0.7
385.73181	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01159	8.9
59.01382	100.0
61.98821	31.9
71.01363	11.2
71.55540	10.2
111.26933	8.2
126.35414	8.8
174.99243	10.3
217.00308	85.8
230.29420	9.1
305.17551	11.8
374.98755	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	375.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05855	8.4
59.01373	100.0
61.02156	8.9
61.98840	9.9
69.17179	53.5
69.17609	52.2
71.01368	14.6
77.32179	9.0
89.02474	9.9
92.46113	10.3
95.35057	9.8
98.19951	25.3
101.61823	9.6
108.48025	10.2
108.93731	22.4
121.03014	10.9
122.41827	10.0
122.95309	11.7
150.94794	65.3
164.96352	37.7
174.99223	33.9
199.28171	9.8
217.00307	90.5
236.10452	14.4
293.17270	10.8
301.05261	13.9
357.79184	10.3
375.08963	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23676	6.4
59.01381	100.0
61.98817	17.1
66.40312	7.0
69.46947	13.2
69.47359	34.9
71.01380	7.4
82.77431	6.4
92.04403	6.6
98.12923	6.5
98.19843	6.9
106.07878	6.7
116.68932	6.7
121.42374	5.9
127.02898	7.3
127.72990	7.9
149.29700	6.8
174.99216	22.0
178.99362	6.7
197.96481	7.1
217.00278	76.9
233.97662	7.0
308.07190	6.8
319.05820	6.6
323.89420	6.5
375.18127	7.2
375.25516	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	375.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
57.03437	0.8
58.00593	1.4
59.01378	46.0
61.98851	0.5
71.01381	23.1
71.55573	0.6
72.01727	0.5
72.99319	1.7
73.02956	1.3
82.22655	0.3
83.01395	1.4
85.02946	5.7
87.00876	1.0
89.02441	18.8
95.01365	1.7
97.48885	0.3
101.02440	12.8
108.04650	0.3
113.02443	7.1
119.03505	5.9
130.47321	0.3
131.03540	0.4
169.70172	0.3
183.13904	0.7
195.12059	0.6
195.13873	9.8
196.14230	0.9
213.14954	4.1
331.11115	0.3
357.18845	0.5
375.20212	100.0
375.26938	4.8
376.20517	12.2
376.27768	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73297	0.3
59.01378	100.0
60.01714	1.0
70.60419	1.1
71.01386	2.7
73.02946	0.8
74.78204	0.3
77.88941	0.3
83.01451	0.4
85.02934	1.6
89.02462	0.5
93.23895	0.3
99.00882	0.5
100.47308	0.3
101.02446	1.6
110.79551	0.4
113.02458	1.3
161.04568	2.5
174.99197	0.5
180.06718	0.5
209.44296	0.3
217.00359	1.0
286.93011	0.3
315.18246	1.7
375.27383	2.5
376.17734	1.0
381.66183	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48413	0.5
53.67138	0.5
59.01380	2.4
61.98830	100.0
70.93813	0.5
71.55454	0.6
174.99200	0.5
217.00369	2.1
293.21063	0.8
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
59.01377	70.9
59.22182	0.4
60.01715	1.3
65.89477	0.4
85.51240	0.4
90.97135	1.4
98.20659	1.0
110.71714	0.5
114.98849	0.9
118.96569	0.8
132.98187	1.9
156.99933	1.5
174.99245	25.7
175.99724	0.5
178.40865	0.4
201.02521	0.6
217.00284	100.0
217.32553	0.4
218.00630	4.0
287.86710	0.4
289.81961	0.4
314.86539	0.5
314.98932	0.7
350.68655	0.5
374.99173	7.0
375.99667	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48043	0.4
59.01377	11.1
61.98828	11.6
71.01385	2.0
71.53707	0.6
75.00858	0.8
85.02943	0.7
89.02436	1.9
89.03954	1.1
93.03441	1.2
96.95994	1.6
101.02433	1.3
103.33089	0.4
105.03448	1.6
113.02431	1.2
119.05009	1.3
121.02981	0.6
131.00049	0.5
133.02962	6.1
135.04486	0.8
137.02444	1.8
151.03981	1.5
161.02446	0.5
163.04015	1.0
167.87016	0.6
174.99298	1.1
177.01932	100.0
178.02303	5.8
186.96661	0.6
212.94482	0.7
217.00327	6.7
229.94789	0.7
258.99078	0.8
293.12497	1.5
337.14914	1.1
339.07172	10.2
340.07523	0.7
373.54550	0.6
374.99490	0.7
375.11200	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.0
61.98832	100.0
69.77470	3.9
71.98484	0.9
95.25000	0.8
119.96146	0.9
133.84732	1.0
174.99234	1.1
217.00235	3.5
275.75638	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58504	1.3
53.40107	1.2
59.01373	8.3
61.98829	100.0
63.21917	1.2
69.71155	6.3
73.88509	1.1
73.96876	1.2
75.00878	1.3
88.99022	1.2
174.99153	1.9
217.00229	6.1
222.25299	1.1
281.80051	1.2
398.15552	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	374.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84576	0.7
55.50048	0.9
59.01377	6.3
61.98830	100.0
63.91654	0.8
70.42911	0.8
71.15130	1.8
94.15388	0.8
94.88418	0.9
95.54414	0.8
102.36845	0.8
122.47735	0.8
167.63945	0.8
174.99240	1.1
217.00304	3.5
276.65067	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37176	1.6
59.01382	10.7
61.98832	100.0
69.55793	4.1
69.56206	6.1
71.87395	1.5
98.20607	3.2
174.99225	2.3
203.60104	1.5
217.00253	8.8
275.62238	1.7
362.33041	1.6
364.31589	1.5
398.64709	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	373.2593
Annotation	oscr#24
Peak:m/z	Relative Intensity
50.82170	0.2
56.01229	0.2
57.03446	2.1
59.01385	2.4
61.98821	0.6
69.03453	0.7
71.01369	0.7
72.27832	0.2
73.02939	0.7
83.01455	0.2
83.05039	0.2
85.02935	0.2
87.04509	0.2
95.05016	0.2
97.06573	0.5
98.20647	0.7
109.06618	0.3
111.08130	0.5
114.96760	0.2
121.02925	0.3
121.06583	0.3
123.08156	0.9
125.09726	2.8
127.11294	2.1
135.04526	0.3
137.09695	1.8
141.09209	0.6
143.10815	0.5
153.09206	0.6
153.12843	0.6
155.10774	2.0
161.02521	0.3
161.29686	0.2
169.12312	0.3
171.10268	9.1
172.10635	0.3
175.03986	0.3
200.10495	0.3
201.14868	0.4
210.24692	0.2
217.29172	0.2
229.14383	0.9
230.15236	0.9
283.19177	0.5
285.20700	0.4
327.21729	0.7
329.10120	0.4
343.24915	0.3
351.27103	0.2
355.24854	1.6
356.25143	0.3
371.24350	0.9
373.25922	100.0
374.26270	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	373.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.0
58.98274	0.3
59.01383	1.8
61.98812	0.4
69.03452	0.5
71.01377	0.4
71.54900	0.2
73.02947	0.9
77.75308	0.3
85.02931	0.3
87.04510	0.3
89.84853	0.2
95.05035	0.5
97.06605	0.3
99.48079	0.2
100.73041	0.2
106.61548	0.2
109.02983	0.2
111.08162	0.6
123.08179	1.2
125.09728	3.2
127.11295	2.4
137.09741	2.1
139.07695	0.3
140.55333	0.3
141.09215	0.5
143.10797	0.7
153.09184	0.8
153.12834	0.6
155.10805	1.8
163.76025	0.3
169.12302	0.4
171.10268	10.1
172.10666	0.4
200.10667	0.3
201.15018	0.6
217.14458	0.3
229.14418	0.8
230.15172	0.7
231.06511	0.3
297.15137	0.3
327.21680	0.7
327.25253	0.3
345.20798	0.3
355.24838	2.2
356.25180	0.5
371.24252	1.2
373.25925	100.0
374.26270	12.2
399.86343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02850	0.4
59.01376	13.0
61.77652	0.4
61.98834	1.2
69.86665	1.9
72.89130	0.3
80.02679	0.4
80.91651	0.4
85.01812	0.4
93.03443	2.1
95.05049	0.4
97.06572	0.4
99.30274	0.4
103.83081	0.4
125.06093	0.5
140.21106	0.4
148.08881	1.1
150.10501	0.9
151.11229	0.8
163.11301	0.7
165.12833	22.7
166.13199	1.1
173.37643	0.3
175.11218	0.8
176.12004	0.5
177.12799	0.4
179.14496	0.4
187.03719	0.4
191.14304	0.5
222.98947	0.4
244.10811	3.3
245.19095	0.6
247.20644	13.0
248.20943	1.0
273.18561	6.9
274.18774	0.7
291.19638	100.0
292.19968	9.8
313.17828	14.6
313.21481	0.6
314.18149	1.7
337.23575	0.5
373.19904	17.3
374.20355	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	373.2593
Annotation	oscr#24
Peak:m/z	Relative Intensity
55.90515	0.2
57.03452	2.0
59.01379	4.6
61.98824	0.3
69.03445	0.4
69.18645	2.3
69.28252	0.2
71.01377	1.8
73.02965	1.2
73.03334	0.2
81.03468	0.3
83.01449	0.3
83.05028	0.3
85.02963	0.7
87.00894	0.3
87.04505	0.3
89.02441	0.4
95.05003	0.3
96.95995	0.3
97.06572	0.8
98.20650	0.6
101.02444	1.5
101.06121	0.3
111.08158	0.5
113.02428	0.9
113.09709	0.5
120.99652	0.4
121.06573	0.2
123.08147	1.7
125.09718	2.6
127.07635	0.4
127.11298	1.7
135.04492	0.4
137.09712	1.0
139.11343	0.7
141.09215	0.9
143.09203	0.2
143.10793	0.3
151.04015	0.4
153.09169	0.6
153.12862	0.5
155.10779	1.4
161.02394	0.3
161.04584	0.5
164.07019	0.3
169.12305	0.3
171.10269	8.6
172.10703	0.4
185.11838	3.6
200.10497	0.4
201.11324	0.8
201.14915	0.3
213.11157	0.2
214.12057	0.4
215.12753	0.3
221.08186	0.4
229.14412	0.8
230.15195	0.7
241.14253	0.2
269.09741	0.5
285.20831	0.5
297.91882	0.2
305.17505	0.4
325.23868	0.5
327.21826	0.9
329.10391	0.2
331.17578	1.0
343.24829	0.8
355.24826	2.1
356.25110	0.4
371.24408	1.1
372.25146	0.3
373.25922	100.0
374.26266	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	373.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.9
59.01380	29.2
61.98818	4.0
65.55464	1.2
71.54754	1.4
71.55134	1.6
78.63705	1.1
82.71445	1.6
82.91954	1.2
90.62787	1.2
93.07134	1.4
95.05036	1.7
96.65811	1.1
97.06596	2.8
98.73986	1.4
111.08154	7.2
121.10229	11.7
125.09706	5.3
141.12834	2.2
149.09584	1.4
179.10680	1.2
183.13905	2.2
185.11844	11.1
195.13922	4.0
197.11797	2.1
207.09932	4.1
211.13211	1.2
245.19032	4.7
247.20667	2.7
273.18600	2.1
291.19647	85.7
292.19910	9.2
313.17838	100.0
314.18207	9.5
337.23883	1.3
340.65262	1.3
373.19299	4.8
373.29590	17.0
374.23087	1.6
374.29947	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	373.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88175	0.7
59.01102	1.5
59.01381	19.7
59.28965	0.7
61.98824	2.0
69.03456	2.4
70.67496	0.9
71.01371	1.0
71.05015	19.8
71.54881	1.4
72.63069	0.9
93.03458	0.9
97.06596	6.1
111.26710	0.8
116.58411	0.9
144.58139	1.0
161.13464	0.8
181.12323	1.4
189.16296	0.8
207.13925	2.6
219.13899	2.4
235.17039	3.8
243.17366	1.2
245.18987	1.5
247.20566	1.1
255.13655	2.5
257.15265	5.9
261.10953	1.0
283.13095	1.1
289.14215	4.1
291.19656	44.5
292.19958	4.0
313.17844	100.0
314.18185	9.4
373.18701	2.5
388.50333	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	0.7
59.01378	100.0
60.01717	0.8
70.36513	2.0
71.01379	12.4
73.02943	8.2
74.22855	0.5
83.01389	1.2
85.02956	2.3
86.81854	0.5
89.02441	9.4
89.02934	0.6
93.03462	1.7
94.95108	0.5
95.01420	0.9
101.02438	9.1
113.02438	6.1
119.03472	2.8
125.02477	0.5
130.90591	0.6
131.03537	1.0
132.04568	0.6
143.03540	0.9
149.04559	0.7
152.07306	0.7
161.04578	1.8
167.10765	0.7
179.03575	0.6
179.05597	0.9
231.10388	0.6
256.23773	0.5
257.08310	1.1
331.17828	1.0
341.11267	0.6
373.15063	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
52.64852	0.7
55.01881	1.2
56.27895	0.7
57.03446	1.5
58.00593	3.2
59.01378	100.0
60.01700	1.4
60.69294	0.6
61.98823	1.1
68.99812	1.2
69.03455	1.1
69.19547	3.8
69.19965	3.0
71.01381	41.1
71.05017	0.8
72.99305	3.8
73.02949	5.5
79.40498	0.6
82.05546	0.8
83.01376	3.6
85.02955	8.9
87.00886	2.1
89.02442	39.6
93.00457	0.7
95.01404	2.7
97.02945	1.4
99.00886	1.7
101.02442	26.9
102.02860	0.8
102.03629	0.7
104.82883	0.8
106.95226	0.7
108.02207	2.7
109.02954	1.3
113.02448	16.3
115.00424	1.4
119.03495	22.0
119.04329	1.2
120.99657	2.0
122.03743	0.9
123.00902	2.1
123.04555	3.2
124.01657	1.2
125.09774	0.8
131.03531	1.3
132.02136	0.9
135.04555	0.9
138.03253	1.8
143.03542	2.3
146.03784	1.8
147.04532	2.7
147.11867	1.0
149.04572	1.1
150.03246	2.4
151.04056	0.8
155.10825	0.7
161.04608	2.9
161.06017	0.9
162.03207	1.7
163.04071	1.3
164.04713	1.4
167.26332	0.8
171.10295	1.4
173.02397	0.9
177.05585	2.3
178.02740	5.1
179.03584	1.2
179.05647	4.8
179.07150	2.2
188.04790	1.8
193.05038	5.2
193.12320	16.3
194.12692	1.4
201.11314	1.1
213.09079	0.8
231.06743	1.3
231.10367	1.9
257.08276	2.8
275.16330	0.8
283.25687	0.7
298.08578	3.0
307.06851	0.7
313.10822	6.3
325.10986	0.8
331.17691	1.4
343.12143	2.4
373.13141	11.9
373.18777	16.6
373.25650	4.1
374.13275	1.1
374.19150	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01881	1.0
57.03444	1.7
58.00600	3.2
59.01379	100.0
60.01707	1.9
69.39851	4.9
71.01379	48.8
72.99316	3.4
73.02943	1.8
81.61599	0.8
82.57039	0.7
83.01402	3.3
85.02958	9.4
87.00863	1.9
89.02444	54.7
90.02795	0.9
95.01370	3.5
101.02443	32.3
113.02448	18.0
119.02660	1.6
119.03498	29.8
119.08528	0.8
120.03822	0.9
131.03497	2.1
143.03542	3.2
149.04495	1.7
156.57913	0.9
161.04599	2.2
176.85110	0.8
179.05574	3.9
193.12328	5.2
211.13489	0.8
227.35027	0.7
339.53024	0.7
373.18658	49.9
374.19028	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	373.1866
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.61180	0.3
57.03431	0.3
59.01378	100.0
59.10125	0.3
60.01713	1.6
61.98845	0.6
69.03471	0.4
69.16258	3.0
69.88210	0.3
69.97005	0.2
71.01380	7.7
71.01778	0.4
72.99323	0.4
73.02946	5.6
80.68349	0.3
83.01379	1.3
83.54893	0.3
85.02954	1.8
89.02444	3.4
95.01403	0.5
98.00969	0.3
98.19917	0.4
99.00867	0.3
101.02439	5.4
113.02442	3.2
119.03500	1.5
135.04541	1.0
143.03488	0.6
153.18816	0.3
154.87622	0.3
161.04556	2.0
179.03590	0.6
179.05659	0.5
197.72849	0.3
238.36787	0.3
289.14523	0.3
311.10242	0.4
331.17642	0.7
373.18857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	25.5
60.08856	7.1
61.98819	14.8
66.91359	9.4
69.24107	8.3
69.49408	52.0
76.35433	8.4
84.79367	10.9
87.51463	8.1
89.02390	8.1
118.76079	8.4
149.04825	15.8
150.05557	12.3
153.01920	13.9
153.60901	9.5
337.14929	24.8
351.78339	8.2
373.12634	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	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54665	0.7
59.01371	3.2
61.98830	100.0
76.58641	0.8
83.01374	2.2
95.21724	0.9
96.61655	0.9
144.48840	0.8
221.63814	0.9
229.05659	1.1
234.07750	2.0
258.63205	1.0
263.77823	0.9
337.23785	2.2
349.08267	0.9
372.15201	1.3
373.27344	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19061	0.7
55.90942	0.8
59.01381	30.0
61.98813	3.2
68.21938	0.9
71.01376	1.3
71.23575	1.3
72.99305	0.8
73.02946	0.8
75.00938	0.9
82.62788	0.8
83.18153	0.8
85.02947	1.7
87.00867	1.8
89.02431	1.8
93.03437	0.8
96.96027	1.3
101.02432	1.8
108.02173	5.8
108.04563	2.4
109.02950	2.7
113.02437	1.2
113.08747	0.8
122.03722	1.0
123.04475	0.8
132.47916	0.9
134.03740	68.2
135.04092	3.3
136.01662	51.3
137.01976	1.5
149.06079	100.0
150.06430	4.6
151.04007	83.8
152.01131	3.1
152.03319	4.0
152.04437	2.7
153.01886	4.8
167.03403	1.0
178.02678	0.9
183.97855	1.3
193.05035	1.4
209.95789	0.8
211.06114	23.3
212.06329	1.8
315.07248	8.2
337.05249	0.9
373.02646	1.5
373.11389	23.6
374.11661	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2437
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
56.96091	0.3
57.03444	0.8
58.00557	0.3
59.01387	2.0
59.01634	0.4
69.28124	2.3
71.01367	0.8
73.02934	0.9
83.01376	1.8
83.05023	0.6
85.02942	0.5
87.00858	1.0
87.04520	0.8
88.21053	0.4
97.06573	0.9
109.98032	0.3
111.08084	0.4
113.06088	0.4
121.02960	0.5
123.08154	1.1
125.09711	4.5
127.11269	0.4
131.46957	0.3
136.05255	0.7
137.09706	0.6
139.11267	1.4
141.09181	0.9
141.12833	1.2
143.10770	0.5
146.71768	0.3
151.11264	0.7
153.09198	0.5
155.10741	0.8
161.40036	0.3
167.10756	0.4
169.12408	0.4
171.04553	0.4
171.10255	13.0
172.10609	0.8
185.11836	0.6
186.06827	0.5
197.11714	0.3
200.10464	0.6
201.09192	0.4
201.11258	0.3
211.07677	0.5
214.06325	0.7
215.12859	0.7
227.12885	0.6
228.13707	1.3
229.08711	0.6
230.09506	0.3
258.90646	0.3
274.08295	0.4
299.15948	0.4
311.22269	1.0
315.33612	0.3
323.22269	0.8
335.21951	0.4
341.23285	7.5
342.23615	1.0
343.15338	0.3
353.23251	2.0
354.23849	0.5
369.22867	1.2
371.24356	100.0
372.24695	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	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54665	0.7
59.01371	3.2
61.98830	100.0
76.58641	0.8
83.01374	2.2
95.21724	0.9
96.61655	0.9
144.48840	0.8
221.63814	0.9
229.05659	1.1
234.07750	2.0
258.63205	1.0
263.77823	0.9
337.23785	2.2
349.08267	0.9
372.15201	1.3
373.27344	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	371.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79119	0.5
59.01378	100.0
60.01713	1.4
61.98829	2.2
64.52444	0.5
69.03453	0.6
69.16637	5.2
69.16975	0.4
71.01382	1.7
78.95905	0.8
83.01383	2.5
85.02927	0.6
88.04025	0.6
101.02435	1.0
109.60633	0.5
121.02936	1.0
130.08765	1.6
134.03790	0.6
143.11906	0.6
149.06105	2.4
180.10236	0.7
209.04684	0.7
285.19565	0.6
357.28442	0.5
371.14789	1.1
371.19238	1.3
371.23438	0.8
372.21213	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44234	0.6
55.01879	5.2
57.03154	0.8
57.03444	13.7
58.00584	1.7
59.01376	48.1
61.98829	1.3
66.37038	0.5
69.03459	1.9
69.47350	4.4
71.01377	100.0
72.01715	1.0
72.99301	3.8
73.02942	24.5
75.00864	1.7
83.01388	15.2
83.01887	0.9
83.05032	0.9
84.01722	0.7
85.02946	37.2
87.00874	8.3
89.02437	28.8
95.01374	7.0
97.02956	2.0
97.06584	0.9
98.20621	1.2
99.00880	12.0
101.02436	59.2
102.02776	1.6
113.02441	41.7
114.02797	0.8
119.03506	11.9
121.02956	2.4
123.08174	2.8
125.02442	1.7
129.01956	1.6
130.08763	0.7
131.03441	0.9
136.05266	1.8
137.09741	1.3
139.11299	1.1
143.03490	4.4
149.04623	1.1
149.06039	2.6
159.02998	7.0
159.04356	1.1
161.04546	32.6
162.04832	1.0
165.12856	1.2
179.03535	0.6
179.05585	1.5
201.09219	1.0
203.36105	0.6
205.03526	1.2
209.15445	17.4
210.15810	1.2
211.07695	1.0
213.09196	0.9
214.10085	0.5
225.05598	1.1
225.09186	2.7
226.09842	0.6
227.10736	0.9
229.08704	0.8
239.07109	1.2
239.10783	0.9
240.07840	0.7
241.08693	1.0
241.12321	1.5
242.09518	1.0
243.13933	0.9
244.07632	0.6
251.16429	0.7
252.07863	0.8
253.12343	0.8
254.09377	1.6
255.07793	0.6
255.09990	2.7
255.13988	1.3
265.56747	0.6
269.11609	1.4
270.12445	0.8
271.13330	1.1
283.10297	0.9
283.13312	4.2
298.12161	0.8
299.16434	1.8
309.14960	2.0
311.12799	3.4
312.13614	0.9
325.14499	0.9
327.12341	2.1
327.16022	8.8
328.16376	1.6
343.15671	0.7
371.15277	7.5
371.20602	2.6
371.24594	6.0
372.15179	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
60.16469	0.6
61.98830	100.0
64.00233	0.5
66.18159	0.5
69.18076	5.8
79.83702	0.6
96.70890	0.6
121.02951	12.4
128.34987	0.6
143.78963	0.6
144.37863	0.7
179.03516	1.5
281.35309	0.6
371.07697	1.6
371.14883	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.077
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
52.16633	0.2
54.75889	0.2
59.01364	1.2
61.98828	3.4
71.01400	0.3
71.55714	0.4
77.03991	0.3
83.01391	3.1
87.00842	0.2
93.03417	0.2
115.84071	0.2
117.74983	0.2
121.02953	100.0
122.03271	3.9
123.00871	0.2
134.03658	0.3
135.04591	0.3
136.01581	0.3
136.05312	0.9
149.02458	0.6
151.03983	0.3
161.37994	0.2
168.04362	0.4
179.03485	11.1
180.03795	0.5
181.06587	0.6
186.06828	0.3
197.05972	0.2
200.04846	0.3
201.05548	0.5
208.09839	0.3
214.06407	0.6
215.07086	0.4
225.05551	0.6
229.08694	0.6
230.09338	0.3
239.07019	0.3
283.06284	0.3
356.12567	0.3
371.07700	16.4
371.14532	2.1
372.07996	1.9
372.15347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22414	1.5
58.02956	1.5
59.01362	3.2
61.98833	100.0
69.43034	3.7
69.43433	11.7
83.01387	6.8
121.02927	3.2
136.05298	2.7
138.00246	1.6
146.85439	2.1
151.85524	1.6
171.10260	1.5
210.94179	1.7
242.36488	1.5
279.73862	1.9
370.18088	2.2
370.25928	3.3
371.14655	2.9
371.18665	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.31921	2.1
76.34601	1.3
80.74930	1.4
81.30712	1.2
145.66222	1.2
175.32681	1.3
188.25845	1.1
198.92294	1.2
298.85776	1.2
371.14923	1.2
377.58609	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95475	2.3
59.01363	5.8
61.98830	100.0
69.83501	13.0
69.83789	3.8
83.01374	8.6
90.04417	2.6
92.95413	2.6
98.20625	4.0
121.02937	3.6
136.05284	3.4
140.47443	2.6
200.13341	2.2
201.34999	2.4
237.94031	2.4
316.31287	2.3
371.14658	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	369.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30378	1.1
57.03421	1.8
59.01361	3.5
61.98840	1.2
65.16181	1.0
69.61271	5.3
71.01404	1.2
99.08221	1.6
113.09706	1.5
129.09196	3.0
139.11322	1.3
142.45691	1.2
155.10841	1.2
165.12756	0.9
169.12262	1.4
171.10233	3.8
181.12405	1.6
197.11809	4.1
199.13423	2.0
211.13364	7.9
219.10199	1.3
233.11676	2.8
253.71149	1.3
269.08038	5.1
293.21149	5.8
298.07126	1.1
311.22290	35.9
312.22635	3.7
315.19290	1.2
333.20480	1.9
369.18088	100.0
370.18430	12.9
377.19458	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
57.03443	1.0
59.01377	100.0
60.01719	1.1
61.43920	0.5
61.98830	7.1
69.03458	0.7
70.83723	0.5
70.93192	1.0
71.01383	6.4
72.99283	0.7
73.02950	1.7
83.01388	1.9
85.02955	5.4
87.00864	0.6
89.02444	3.9
96.96059	0.6
99.00869	0.7
101.02448	5.1
111.00882	1.0
112.93159	0.6
113.02472	2.4
115.00416	0.6
119.03468	1.5
127.07638	0.6
129.01988	0.9
131.03526	0.6
144.04596	1.2
145.06589	0.7
147.04485	3.0
159.03036	0.6
161.04561	3.0
171.06627	0.7
171.10262	1.3
179.05539	0.7
188.29160	0.6
190.99974	0.8
192.00569	0.8
205.03600	1.2
210.03836	0.7
223.04639	3.5
309.15469	3.8
369.08206	1.1
369.12219	5.6
388.92270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.181
Annotation	beta-Yohimbine N-oxide
Peak:m/z	Relative Intensity
50.05612	0.7
53.53779	0.8
57.03424	1.0
57.38602	0.7
58.91295	0.8
59.01370	3.4
61.98821	3.8
63.57745	0.9
70.97502	0.7
74.98422	0.7
83.05019	1.0
99.08166	1.4
113.09724	1.3
125.09763	1.8
129.09241	1.3
139.11313	2.1
156.75894	0.8
165.12898	2.0
169.12236	0.8
171.10326	4.7
181.12283	1.6
181.99101	0.9
193.12245	1.3
197.11827	3.5
199.13409	1.5
211.13388	5.9
219.10110	1.1
233.11620	2.6
262.11887	1.9
269.08069	2.9
293.21338	7.2
309.20609	1.1
311.22281	24.6
312.22443	1.5
315.19565	0.9
331.18683	1.7
369.18124	100.0
370.18488	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	369.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10497	1.1
57.03448	4.8
59.01382	8.1
61.98524	1.0
61.98827	4.1
67.01893	1.4
69.03454	45.9
71.01373	6.7
71.05017	1.2
72.99307	1.4
78.95886	2.7
79.01893	11.7
85.02937	7.5
87.00878	3.0
95.01395	7.9
96.05981	1.0
96.69508	1.2
96.96008	10.5
97.02946	63.1
98.03326	1.6
99.00906	5.8
99.40436	1.1
110.02769	1.1
111.00902	2.5
111.08186	1.4
113.02392	1.3
113.06071	1.4
115.00391	1.3
115.04008	1.3
119.05042	2.0
123.00900	3.4
128.24826	1.1
129.01912	1.8
139.11284	10.2
141.01933	100.0
142.02248	3.5
151.19107	1.2
163.03941	1.4
163.07588	3.2
165.05478	2.4
183.10255	34.7
184.10576	2.2
185.00883	17.7
203.01904	5.4
205.03549	1.8
207.02963	2.5
207.06624	6.3
217.00044	1.1
223.04591	4.5
249.04199	1.2
281.10391	1.3
289.01999	1.1
369.11798	32.1
370.12207	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	369.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10497	1.1
57.03448	4.8
59.01382	8.1
61.98524	1.0
61.98827	4.1
67.01893	1.4
69.03454	45.9
71.01373	6.7
71.05017	1.2
72.99307	1.4
78.95886	2.7
79.01893	11.7
85.02937	7.5
87.00878	3.0
95.01395	7.9
96.05981	1.0
96.69508	1.2
96.96008	10.5
97.02946	63.1
98.03326	1.6
99.00906	5.8
99.40436	1.1
110.02769	1.1
111.00902	2.5
111.08186	1.4
113.02392	1.3
113.06071	1.4
115.00391	1.3
115.04008	1.3
119.05042	2.0
123.00900	3.4
128.24826	1.1
129.01912	1.8
139.11284	10.2
141.01933	100.0
142.02248	3.5
151.19107	1.2
163.03941	1.4
163.07588	3.2
165.05478	2.4
183.10255	34.7
184.10576	2.2
185.00883	17.7
203.01904	5.4
205.03549	1.8
207.02963	2.5
207.06624	6.3
217.00044	1.1
223.04591	4.5
249.04199	1.2
281.10391	1.3
289.01999	1.1
369.11798	32.1
370.12207	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	368.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.3
60.74775	0.8
61.98828	100.0
69.31971	6.7
69.55727	0.7
89.28906	0.8
105.51939	0.7
119.39225	0.9
137.19954	0.9
146.42953	0.9
188.65373	0.9
368.24182	3.7
369.17664	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	368.2077
Annotation	Cinnabaramide D
Peak:m/z	Relative Intensity
57.03453	0.5
58.02981	1.4
59.01377	5.8
59.43139	0.4
61.98844	1.7
69.03465	0.5
71.01385	1.6
71.05045	0.6
71.55306	0.5
73.02971	0.8
83.05016	0.9
95.05055	0.6
96.95996	0.5
97.02924	0.9
97.06619	0.6
109.06618	0.9
126.01017	0.5
133.03011	0.5
139.11322	0.5
142.12360	1.8
144.10303	100.0
145.10710	4.2
149.09743	0.7
151.11298	0.9
159.29610	0.5
171.10136	0.5
178.05119	0.6
179.10811	1.1
183.10254	0.5
200.13857	0.5
201.11354	1.6
204.24725	0.5
223.09705	0.5
233.15482	0.6
234.36475	0.4
250.25908	0.5
262.21710	1.6
273.18683	0.9
289.17999	4.5
306.20724	3.7
308.10614	0.5
308.22269	0.9
324.21796	20.3
325.14478	0.6
325.22122	1.5
326.23395	0.5
347.14957	0.5
350.19626	3.8
368.20700	45.5
368.24414	4.1
369.20956	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	369.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15833	1.0
55.01881	5.5
59.01386	1.3
69.03452	100.0
69.43933	7.4
69.44311	2.3
70.03784	1.8
71.01396	2.1
72.99315	1.7
79.01882	5.5
85.02966	2.4
95.01378	2.3
97.02949	16.5
98.20647	2.0
99.00872	24.7
123.00864	1.8
127.99178	1.1
140.30293	0.9
141.01938	14.6
144.50854	1.1
183.10301	1.8
185.00899	59.1
186.01276	2.9
297.05872	0.9
369.11880	25.8
370.12234	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	367.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	2.0
59.01396	10.2
60.00078	1.2
69.28175	10.7
69.28585	3.2
71.01376	2.7
78.00073	1.3
96.96042	2.7
97.06517	1.4
98.19895	2.2
99.08183	2.9
127.11304	2.0
136.91277	1.5
139.11343	3.3
161.04474	2.1
171.10300	11.6
183.13882	3.1
193.12361	1.7
211.13354	17.5
229.14386	11.5
307.10300	4.5
307.46091	1.5
329.23303	100.0
330.23615	12.5
331.23889	8.9
335.91110	1.7
368.24344	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	367.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73224	0.7
54.47605	0.7
59.01380	100.0
59.26421	0.7
60.01704	0.9
67.29613	0.9
69.17219	7.8
78.98929	0.7
83.05013	0.9
101.02460	0.7
118.90996	0.9
139.11366	0.9
165.12825	1.3
170.14427	1.0
209.11792	4.8
221.15517	1.9
231.10036	1.0
233.11514	1.0
267.07751	3.1
291.19742	2.8
293.21204	9.9
309.20749	2.3
349.26590	1.1
367.16541	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	367.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03440	0.9
59.01376	100.0
60.01716	0.6
61.28822	0.6
61.98832	0.9
69.42834	2.2
69.43242	2.2
70.44884	0.6
71.01377	14.8
73.02940	4.4
83.01409	2.0
85.02944	6.0
87.00875	1.1
89.02454	2.3
90.50766	0.6
95.01394	0.9
98.25859	0.7
99.00883	1.6
101.02439	11.0
113.02443	6.2
120.26997	0.6
127.86074	0.6
132.07430	0.7
138.26073	0.6
139.83249	0.7
159.03008	1.9
161.04536	18.3
164.48616	0.7
180.74821	0.7
183.41022	0.7
212.96126	0.7
225.16017	0.8
233.72655	0.6
261.71539	0.7
270.34552	0.7
298.61917	0.7
301.08389	0.6
307.17603	33.1
308.18069	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	367.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
57.03453	0.5
59.01379	100.0
60.01712	1.5
61.98838	2.3
67.01890	1.1
69.89764	1.8
70.66061	0.4
71.01382	8.5
73.02944	2.0
83.01387	1.5
85.02950	3.1
87.00874	2.5
89.02444	5.2
93.03465	6.8
96.96018	0.8
99.00875	1.2
101.02441	5.9
106.22839	0.4
111.00800	0.5
111.04520	1.3
113.02453	3.1
115.00369	0.6
117.05466	0.6
119.05026	92.8
120.05361	4.7
121.02943	0.5
129.01953	0.6
134.03740	2.9
136.99115	0.8
137.02383	0.6
142.06613	3.5
142.26247	0.4
143.06985	4.3
156.58586	0.4
157.25293	0.5
158.06055	0.5
159.02983	0.5
159.06360	0.6
161.04584	2.6
163.04005	68.3
164.04335	3.5
171.08171	0.5
173.04549	5.3
186.05618	1.1
187.05943	2.3
187.11302	1.9
191.05553	1.4
193.05046	1.7
204.11522	0.6
205.06923	0.6
205.12291	1.8
209.84242	0.4
209.86436	0.6
233.11868	0.5
295.12970	1.3
307.10236	0.5
307.17624	8.5
367.11844	6.1
367.18921	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.1
57.03449	3.5
58.00594	1.3
59.01379	37.0
61.98829	0.7
69.03448	1.1
71.01379	43.2
71.05003	1.0
71.30556	0.9
72.01710	0.7
72.99297	1.6
73.02945	29.7
75.00890	1.1
81.03460	1.0
83.01385	11.5
85.02949	24.4
86.00096	1.1
86.03303	0.8
87.00878	3.5
89.02441	10.6
95.01394	3.2
97.02947	2.0
99.00880	10.6
101.02439	58.2
102.02789	1.4
111.00882	1.8
113.02444	20.1
115.03978	1.7
119.05041	0.8
121.91735	0.5
124.20886	0.5
125.02470	3.3
129.01941	1.9
131.03523	3.1
134.03746	0.6
143.03502	1.7
149.04559	1.1
159.02931	4.1
161.03239	1.2
161.04547	17.4
163.04033	0.6
172.58023	0.6
191.05550	0.9
205.03484	0.6
233.06624	2.3
235.11852	97.7
236.12164	5.3
264.39313	0.6
277.13004	0.6
279.10889	0.9
293.08725	0.8
344.18625	0.5
367.16049	100.0
368.16403	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	367.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.3
57.03431	3.3
58.00591	1.0
59.01381	30.5
59.99776	0.7
61.86955	0.8
69.03429	0.7
70.84383	1.8
71.01379	41.3
71.04998	0.9
72.01747	0.6
72.99299	1.9
73.02943	24.9
74.19946	0.7
75.00865	0.8
80.98759	0.6
83.00912	1.0
83.01386	11.4
85.02453	1.5
85.02948	22.9
86.00105	1.5
86.03287	0.8
87.00859	3.1
89.02455	6.9
95.01376	3.5
95.88058	0.6
97.02944	1.9
99.00880	10.1
101.02442	50.6
102.02784	1.3
111.00899	1.4
111.66186	0.7
112.01656	0.7
113.02444	18.6
120.17226	0.6
125.02387	1.0
129.01921	1.6
131.03450	1.4
132.85016	0.7
134.03673	1.1
136.99139	0.7
137.20752	0.7
143.03453	1.6
143.07161	1.0
159.03018	4.3
161.04546	14.2
169.08611	0.9
191.05658	0.8
193.04979	0.9
235.11856	75.5
236.12125	5.3
367.16049	100.0
368.16486	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	367.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95232	0.7
56.82416	0.9
59.01377	9.4
61.98818	0.7
69.03436	0.8
71.01384	2.2
71.56289	1.0
72.99361	0.7
73.02955	0.8
73.50233	0.6
90.98566	1.2
97.02939	5.3
101.02422	1.3
104.98923	0.7
120.75181	0.8
121.02950	1.5
123.43583	0.7
135.04483	0.9
137.09726	2.0
147.04501	1.3
148.05299	100.0
149.05649	5.3
155.10771	11.2
161.04544	0.7
163.07645	72.0
164.07947	3.5
167.06119	1.1
199.09770	11.3
200.10129	0.8
222.26518	0.7
282.43805	0.7
307.10687	1.0
326.24432	0.8
330.53336	0.8
367.14136	4.0
367.21573	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46745	6.4
59.01112	8.1
59.01380	100.0
61.98810	21.7
69.03436	14.0
69.31065	15.4
69.31489	37.4
71.01376	43.2
73.02950	6.0
78.95875	10.5
85.02951	8.5
87.00887	28.0
89.02444	12.2
91.57530	5.4
93.03456	25.7
96.96044	12.3
99.00863	7.2
101.02444	16.4
102.25642	5.3
113.02410	8.6
115.00325	6.7
134.03680	16.9
135.04478	12.2
139.61296	6.5
161.04530	8.0
171.10222	33.1
173.04488	20.3
173.95422	5.6
175.03957	9.9
193.04977	18.8
219.02919	7.5
234.09555	5.7
245.07509	5.9
249.07719	9.7
258.93875	5.5
279.08600	7.7
287.05655	10.0
297.80551	6.4
367.10275	14.5
367.14203	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	367.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33780	0.5
55.01881	4.5
57.03448	3.8
58.00597	1.1
59.01377	39.3
60.01704	0.5
61.98822	2.3
69.03427	1.2
70.69437	1.3
70.69765	0.6
71.01380	46.5
71.05025	0.8
72.01723	1.2
72.55070	0.6
72.99306	2.1
73.02942	29.6
75.00871	2.0
82.09449	0.6
82.53398	0.5
83.01382	9.7
85.02946	24.9
86.00105	0.9
86.03268	0.6
87.00852	3.3
89.02435	12.0
95.01374	2.7
97.02966	2.0
99.00876	9.7
101.02440	50.7
102.02769	1.3
111.00890	1.6
113.02444	22.1
115.04003	1.9
119.03521	0.7
125.02447	2.8
129.01942	1.0
131.03485	3.3
143.03497	2.2
143.07123	0.8
145.08694	1.0
149.04573	1.9
159.02974	4.3
161.04549	20.3
161.05888	1.3
162.04852	0.8
191.05495	0.6
233.06673	1.6
235.11855	88.1
236.12177	5.8
293.08929	0.7
293.12222	0.7
363.31699	0.6
367.16064	100.0
368.16422	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	367.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60363	0.5
59.01376	5.1
61.98817	1.6
66.44466	0.6
69.03457	2.2
69.06898	0.6
71.01369	2.6
72.78394	0.6
72.99297	0.6
73.02949	3.5
73.03311	0.5
78.85954	0.5
78.95904	0.8
84.89437	0.6
93.57202	0.5
95.01392	0.8
96.96021	0.6
97.02949	50.0
97.06565	0.6
98.03278	1.0
101.02465	1.0
102.11065	0.5
113.02394	0.8
115.00365	0.6
123.00939	0.8
135.08174	1.5
137.09720	7.7
140.00992	0.7
155.10774	100.0
156.11098	5.0
161.04552	0.5
162.95364	1.0
163.04044	0.6
167.01088	0.6
168.31863	0.5
181.12466	0.6
199.09740	85.1
199.13327	4.3
200.10077	4.5
220.74641	0.5
307.10352	0.9
367.10406	8.8
367.14932	1.6
368.24152	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16262	0.2
59.01375	0.9
61.98828	0.4
69.36859	0.2
69.79693	0.5
69.80103	0.8
71.01376	0.2
72.03246	0.2
89.02458	0.3
98.19976	0.3
100.26598	0.2
108.02190	0.4
116.05056	2.7
132.04529	0.2
152.01170	0.4
159.03310	0.3
160.04036	100.0
161.04396	5.8
167.03444	0.7
174.79929	0.2
177.30882	0.2
204.03004	4.4
205.16927	0.2
237.68146	0.2
285.05911	0.2
287.87198	0.2
366.08276	19.6
367.08603	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	367.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29028	0.9
59.01379	45.0
61.98831	12.2
64.56058	0.8
66.19234	0.8
71.01380	11.9
71.54508	1.0
72.99281	1.1
73.02918	3.3
85.02943	4.8
87.00886	0.9
89.02436	7.0
95.01364	1.4
96.95993	2.5
99.00875	2.0
101.02441	8.2
108.02170	67.4
109.03004	12.1
110.03223	1.2
113.02448	5.6
117.03788	1.0
119.03488	3.2
123.00868	0.9
123.04521	7.4
133.71880	1.0
134.06264	1.1
151.03952	1.8
152.01143	61.7
153.01936	33.1
154.02269	2.0
159.02980	1.0
160.04001	3.9
161.04529	14.3
163.03978	1.9
166.01184	1.7
167.03467	3.2
179.05560	1.6
191.99147	1.3
208.02350	4.4
234.00191	8.5
235.00600	0.9
285.06140	100.0
286.06384	7.0
307.04272	2.9
307.10440	2.1
307.13882	13.6
308.14362	1.4
329.08783	2.4
345.52563	1.1
367.05191	8.2
367.15771	1.6
368.05396	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2694
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
51.94377	0.4
59.01366	0.9
69.56838	1.6
69.57262	1.0
76.11508	0.4
85.06593	2.5
85.26064	0.4
85.95216	0.4
98.20649	0.4
100.19939	0.4
198.94432	0.4
199.13383	3.8
200.13548	0.5
228.24075	0.4
251.20132	0.5
261.18631	0.8
279.19644	16.6
280.20074	1.4
347.25885	6.5
348.26245	1.2
363.25577	0.6
365.26941	100.0
366.27283	14.3
366.31915	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2696
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
55.01881	0.4
59.01383	1.3
64.37792	0.3
65.21083	0.3
71.05012	0.7
71.11540	0.5
83.05035	0.5
97.06640	0.3
115.60358	0.2
117.79863	0.2
153.12802	0.4
155.14392	1.1
161.09744	0.3
163.11333	0.7
165.12851	2.5
181.12343	1.8
185.42914	0.3
199.13385	30.5
200.13721	1.6
201.02553	0.3
201.35255	0.2
209.11916	0.5
212.50168	0.3
283.26248	0.4
347.25906	4.0
348.26175	0.4
363.25232	0.5
365.26935	100.0
366.27261	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	365.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96353	0.4
55.01862	1.3
57.03429	1.2
58.11776	0.5
59.01113	0.8
59.01380	10.9
69.03461	0.7
69.38876	1.9
69.39296	1.2
71.01378	8.9
72.99304	0.7
73.02946	3.6
83.01380	2.5
85.02948	4.4
87.00877	1.0
89.02447	2.0
95.01348	0.7
99.00864	1.4
101.02432	7.8
113.02442	3.0
119.03497	1.0
139.11234	0.5
157.12338	2.8
161.04553	1.0
185.11816	1.3
203.12866	6.0
211.38716	0.5
283.79437	0.4
316.49017	0.5
318.94101	0.5
347.17139	1.0
358.67645	0.4
365.18124	100.0
366.18475	10.1
372.24463	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38113	0.5
57.03449	0.9
58.00588	1.2
58.99216	0.6
59.01380	34.4
61.52431	0.5
61.85871	0.5
61.98816	0.8
71.01378	13.4
71.11527	1.2
72.99323	1.1
73.02951	1.4
83.01388	1.2
85.02511	0.5
85.02932	3.3
87.00893	1.0
89.02447	13.6
91.86465	0.6
95.01369	1.2
98.95599	0.6
99.00931	0.7
101.02440	9.5
102.24164	0.6
111.08153	0.7
113.02438	5.2
113.09772	0.7
114.41512	0.5
119.03490	4.1
127.11308	1.3
139.11249	1.0
141.67444	0.5
142.06647	1.6
145.37265	0.6
155.10800	2.4
157.12331	12.4
161.04561	0.6
171.13940	1.1
181.90054	0.7
185.11868	2.3
186.05513	1.2
187.13367	1.3
189.32379	0.6
199.13316	1.3
203.12880	37.5
204.06686	0.6
204.13219	2.1
232.69534	0.6
235.40433	0.6
245.13936	2.1
305.16119	1.0
312.93604	0.6
365.18143	100.0
366.11954	1.8
366.18484	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	365.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54022	0.6
59.01384	5.0
70.67577	2.3
76.70435	0.8
96.96006	3.3
114.88166	0.8
119.21358	0.8
124.88760	0.7
137.06018	0.9
165.09245	1.2
194.41417	0.8
225.97833	0.7
303.26846	1.7
329.24722	1.2
347.25876	100.0
348.26187	13.5
352.39786	0.8
365.27005	32.6
366.06940	0.7
366.27286	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	365.2693
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
51.36765	1.0
53.80586	0.9
59.01379	7.3
59.47703	1.1
59.66795	0.9
65.72299	0.8
66.16909	0.9
70.42279	0.9
70.59509	2.0
70.59882	1.8
94.51608	1.0
95.14789	0.9
125.17956	1.0
165.09149	0.9
179.10794	1.5
181.12349	1.2
201.02596	2.9
249.14952	1.3
267.07718	2.9
269.82501	1.0
303.27042	1.6
347.25888	100.0
348.26257	11.7
365.15356	2.1
365.27008	39.5
366.27478	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	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.03451	1.7
59.01378	100.0
60.01706	1.1
61.98833	3.1
68.36748	0.8
69.84911	3.4
71.01379	16.6
72.99332	1.1
73.02945	5.9
78.69454	0.7
79.95725	0.7
83.01372	4.3
85.02946	6.7
86.00110	0.8
87.00871	1.6
89.02435	4.7
94.02999	1.8
96.96030	1.0
99.00861	1.3
101.02444	13.9
103.58735	0.7
113.02448	6.9
118.66751	0.8
119.03488	1.8
124.67755	0.7
126.42139	0.7
138.05621	1.8
157.12413	1.1
161.04532	4.9
165.01018	0.9
167.44411	0.8
185.11884	3.1
194.22638	0.6
203.12880	7.1
219.11397	1.1
223.43187	0.8
263.10391	1.1
289.11615	0.9
305.16058	9.1
347.17099	8.4
365.18115	73.9
366.18509	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	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65454	0.5
59.01376	100.0
60.01716	1.2
69.67970	1.5
69.68383	1.5
71.01390	1.5
75.72550	0.5
77.19328	0.4
85.02960	1.3
93.74807	0.5
98.19972	1.0
110.01676	0.6
115.07536	0.6
115.28019	0.5
198.60121	0.5
226.68333	0.6
247.07829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1499
Annotation	Scandine N-oxide
Peak:m/z	Relative Intensity
55.52045	1.4
57.03428	2.3
59.01364	6.3
80.02667	1.5
81.03453	2.5
83.01382	3.8
83.05033	1.9
85.03328	1.3
92.41386	1.4
96.78104	1.4
96.96004	4.0
97.06573	5.6
123.04498	4.2
123.08109	1.5
125.09698	5.9
135.08128	2.0
135.60809	1.3
137.09776	3.4
137.53113	1.5
139.87170	1.5
149.06090	1.4
159.85957	1.7
163.11241	5.3
163.41862	1.4
165.12851	2.6
185.11810	4.1
191.14363	5.0
207.10172	5.4
209.11818	38.5
210.12173	2.5
225.11163	2.3
231.09967	15.0
232.10420	2.3
245.19168	10.1
267.07687	40.4
268.07950	3.7
271.16922	2.1
289.18051	23.0
290.18311	2.3
291.19659	3.2
307.19141	11.6
308.19366	1.8
320.38538	1.8
329.17322	6.1
342.00510	1.6
365.14963	100.0
365.24298	5.1
366.15393	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	365.1504
Annotation	Scandine N-oxide
Peak:m/z	Relative Intensity
51.16705	1.5
59.01377	12.4
61.56531	1.7
66.39906	1.8
69.98884	2.9
69.99274	5.1
71.05009	6.5
81.03455	3.9
85.02961	1.7
95.05015	2.1
96.96017	4.1
98.20003	2.0
109.06594	16.4
111.04536	10.2
125.09741	3.0
127.07639	4.0
143.10809	3.1
145.06592	3.1
149.06021	4.7
149.09743	2.1
159.33531	2.0
167.10687	3.4
171.10231	2.5
179.10674	2.7
179.35957	1.9
195.13837	5.3
197.26257	1.7
217.12193	2.1
235.13414	3.1
245.19069	5.5
249.11084	3.2
251.16679	1.8
257.11545	8.2
284.23779	2.0
289.18079	100.0
290.18460	10.0
291.19638	9.9
307.19141	7.6
308.19522	2.4
311.16327	3.9
327.21835	12.6
329.17322	86.2
329.22934	8.7
330.17661	7.7
365.14957	67.4
365.19016	1.6
366.15271	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1501
Annotation	Scandine N-oxide
Peak:m/z	Relative Intensity
52.93437	2.9
59.01385	18.8
66.15397	2.7
71.01376	6.4
71.55464	5.8
95.04990	4.5
96.96008	6.4
97.06583	8.0
111.08151	3.6
112.54136	2.7
151.11267	2.9
155.70970	3.2
165.12828	9.6
181.12276	10.2
191.10812	3.9
201.02463	4.4
209.11829	24.1
217.08565	4.2
231.10002	7.9
233.11536	11.9
239.08118	7.1
245.19061	5.4
264.09796	4.6
267.07678	100.0
268.08051	5.4
285.18298	5.9
289.18045	4.5
291.19601	16.0
307.19092	9.2
317.17221	10.1
329.17297	26.1
347.25870	6.7
365.14993	73.1
365.27237	4.9
366.15298	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35200	18.9
59.01375	61.9
61.98827	100.0
66.03632	21.4
66.12470	21.0
69.64944	51.0
69.65359	96.1
77.89909	22.2
86.21220	20.7
162.18561	21.7
169.49283	22.1
180.84462	19.5
265.21722	36.7
321.35483	21.4
356.19937	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15400	20.9
57.03476	27.2
58.72824	19.6
59.01360	100.0
61.98825	70.7
128.88007	20.8
242.58351	22.0
252.20364	44.5
322.41965	24.1
363.21906	27.6
363.28458	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13238	12.8
55.57227	13.3
59.01384	100.0
61.98833	17.4
63.10551	15.0
68.86105	18.7
71.56071	21.1
79.50477	18.4
96.96021	81.2
153.45091	17.3
235.48163	15.1
265.14761	21.8
295.22723	54.1
346.06631	16.5
350.94531	14.8
363.21658	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	364.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.8
61.71673	0.5
61.98827	100.0
63.48113	0.5
65.54851	0.5
70.02977	1.5
71.01329	0.6
71.05025	2.4
71.41513	0.5
85.02952	0.8
87.05638	0.7
88.04035	1.2
89.02452	1.2
89.41792	0.5
96.96027	0.8
99.04504	0.7
101.02467	0.8
103.92106	0.5
108.02177	1.0
113.02427	0.9
116.07150	0.8
120.77407	0.5
123.04510	4.5
130.03326	1.0
137.27922	0.5
139.04027	1.5
142.51884	0.5
146.08212	9.9
152.01126	0.9
153.01996	0.6
160.06133	4.8
161.04561	0.6
161.06483	2.3
167.03467	3.7
179.05649	0.8
217.11963	2.3
218.16321	0.5
242.83971	0.5
277.12256	3.7
305.12430	0.6
329.08875	1.7
364.15491	7.2
365.15060	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.15
Annotation	Scandine N-oxide
Peak:m/z	Relative Intensity
57.03430	3.2
57.97330	3.1
59.01379	25.7
65.09689	3.2
65.15536	3.0
72.25581	3.1
77.09596	3.1
79.05537	7.7
83.05009	7.3
87.81372	3.3
89.10117	3.0
95.05022	6.2
96.96001	6.8
97.06577	6.6
123.04485	3.9
125.09710	7.8
135.08130	7.3
137.09715	11.7
163.11317	8.7
165.12968	4.2
181.12460	3.4
185.11731	5.4
191.14545	3.8
196.86795	2.9
201.02580	4.1
207.10155	4.3
209.11795	40.4
211.13153	3.2
213.16472	7.0
226.13741	3.5
229.01826	3.4
231.09973	32.0
245.19060	10.2
253.45613	3.2
267.07663	50.4
268.08041	3.6
289.18076	18.2
307.19052	13.9
319.22742	14.6
329.17554	16.8
329.23566	17.1
337.25253	7.8
347.22266	18.0
365.14999	100.0
365.24677	67.3
366.15363	12.0
366.25113	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	363.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01706	1.3
61.98823	0.6
62.99143	0.4
71.01383	3.4
71.55492	0.8
73.02959	0.9
83.01407	0.8
85.02960	2.0
89.02454	0.9
96.96027	0.7
99.00894	0.7
101.02432	2.7
113.02448	1.4
134.04698	0.5
164.08067	0.5
182.41904	0.4
204.09872	0.5
212.13751	0.5
212.46794	0.4
225.46356	0.4
303.18234	0.6
309.35233	0.5
321.19150	3.2
363.23706	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01706	1.3
61.98823	0.6
62.99143	0.4
71.01383	3.4
71.55492	0.8
73.02959	0.9
83.01407	0.8
85.02960	2.0
89.02454	0.9
96.96027	0.7
99.00894	0.7
101.02432	2.7
113.02448	1.4
134.04698	0.5
164.08067	0.5
182.41904	0.4
204.09872	0.5
212.13751	0.5
212.46794	0.4
225.46356	0.4
303.18234	0.6
309.35233	0.5
321.19150	3.2
363.23706	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01714	1.0
67.54358	0.3
70.71352	0.7
70.71680	0.4
71.01395	0.5
73.02945	0.5
79.23875	0.3
101.02480	0.5
113.02398	0.4
130.37291	0.4
188.80518	0.3
203.61089	0.4
214.50508	0.3
363.23920	0.6
381.89426	0.3
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
50.89541	0.9
55.01873	2.2
57.03439	4.2
58.00581	1.9
59.01377	100.0
60.01717	1.2
61.98825	11.1
70.00326	3.9
71.01378	40.2
72.99300	2.4
73.02945	8.8
77.54232	1.0
80.76895	0.8
82.02982	2.3
83.01385	4.1
85.02950	13.6
87.00871	3.3
89.02438	29.5
95.01399	4.0
96.95982	1.6
98.20645	1.0
99.00883	3.2
101.02439	34.4
101.03106	1.8
107.19392	1.0
109.27838	0.9
113.02436	15.4
119.03496	12.6
121.02921	1.1
127.07620	2.2
131.03520	1.7
136.04012	1.9
136.98909	1.0
138.05617	0.8
143.03511	2.2
143.65840	0.8
159.03040	1.1
161.04562	12.6
163.62723	0.9
164.03407	1.7
165.64368	1.0
171.06622	1.8
179.05592	3.2
183.10289	5.6
193.08720	1.0
194.04648	1.0
196.06192	1.2
201.11354	1.4
257.12894	1.0
287.10382	5.6
310.42755	0.9
319.17676	4.1
331.09363	2.7
363.16565	88.8
364.16971	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	363.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87512	1.7
54.67950	1.6
59.01380	5.3
74.07700	1.6
81.23842	1.7
82.33865	1.7
85.95756	1.7
98.20650	8.1
106.10400	1.8
127.07637	3.4
127.33683	2.3
129.09241	9.8
141.09207	5.6
149.99503	2.2
155.10779	5.0
171.10289	7.5
185.11827	24.0
197.11845	17.1
207.58896	2.0
209.11775	4.3
229.14473	2.1
291.19788	10.8
291.45377	1.8
292.11160	1.9
309.20651	26.3
319.99588	2.0
327.21756	100.0
328.22021	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	363.1406
Annotation	N-Acetylmuramoyl-Ala
Peak:m/z	Relative Intensity
55.01868	0.9
58.02971	1.9
59.01379	3.3
61.98831	9.0
71.01383	2.7
71.54186	0.6
72.04527	2.3
83.01386	1.4
87.00854	0.6
88.04037	16.4
89.02444	0.6
96.96006	0.6
98.06109	1.2
101.02445	0.5
113.52071	0.5
116.03484	0.6
116.07166	7.1
140.03526	1.0
142.05099	2.6
146.08235	0.5
146.86710	1.0
160.06143	100.0
161.06442	3.1
164.07036	0.5
195.01413	0.7
216.01834	0.5
219.97649	0.7
243.03633	1.1
354.05350	0.5
364.15329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01708	1.5
61.98827	0.5
70.37384	1.4
70.37756	0.4
71.01390	1.2
88.99226	0.4
89.02457	0.9
89.74106	0.4
96.96000	0.8
101.02437	1.1
113.02459	1.0
118.32189	0.5
119.03485	0.5
160.97319	0.5
161.04535	0.5
275.09592	0.4
363.07709	0.6
363.23770	1.8
366.01929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94034	0.3
57.03458	0.5
59.01377	7.3
61.98829	100.0
63.73807	0.3
70.80737	0.5
70.81064	0.6
71.01376	2.6
73.02959	0.6
85.02944	0.7
87.00857	0.4
89.02458	1.5
90.89938	0.4
101.02457	2.1
113.02469	0.8
119.03474	0.7
125.15715	0.4
127.07655	0.7
160.04080	0.5
183.10274	1.3
207.82814	0.3
363.16620	7.9
363.20935	0.7
364.17062	1.2
367.89490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07723	1.9
59.01380	16.7
61.98833	43.5
71.01006	3.9
71.01385	55.8
71.56064	1.8
73.02972	1.7
74.22733	1.7
85.02953	2.6
87.00874	2.4
101.02404	2.0
106.04248	2.3
115.00365	18.0
121.02943	7.0
121.44774	1.8
133.01411	14.9
133.02942	15.2
134.03754	47.0
135.04469	6.3
137.02448	51.6
139.04004	16.7
149.02504	2.0
150.03207	6.8
159.04466	4.4
162.03229	4.1
164.12346	1.9
165.01921	1.9
177.09183	3.5
178.02713	100.0
179.03331	7.6
203.10757	8.2
235.46712	1.8
247.09744	90.2
248.10028	7.7
275.09213	9.2
325.20331	2.1
327.21710	8.0
344.73331	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98365	0.7
53.90679	0.8
59.01377	16.0
65.99852	1.8
67.13585	0.6
69.81435	2.9
71.01379	4.4
73.02936	0.8
81.03455	0.8
82.02981	34.8
83.01385	3.6
87.00880	0.7
89.02449	1.3
94.02974	2.9
98.19934	1.1
99.00875	1.0
99.23325	0.8
101.02436	3.1
113.02445	1.7
115.87055	0.7
118.03014	0.7
120.00941	1.0
120.04536	1.8
121.01667	0.8
122.02444	2.0
122.06120	2.9
134.02492	0.7
135.03185	0.7
136.04041	26.0
136.07671	3.8
137.04393	0.9
139.11227	0.9
146.02425	0.6
148.04053	1.1
150.01874	1.0
150.05623	1.0
152.03543	0.9
154.29568	0.8
160.07668	2.1
161.07137	1.9
163.02766	0.7
164.03520	42.8
165.03870	1.5
176.07185	1.2
177.10320	0.8
178.08868	0.8
180.02986	1.9
182.04535	1.7
183.10222	2.9
188.07104	0.8
193.69017	0.7
194.02911	1.4
194.04573	20.2
195.05351	6.8
196.06133	22.0
196.52620	0.6
197.06412	2.0
202.08704	2.6
203.08379	0.7
204.06627	2.3
215.05899	0.9
217.05983	0.9
226.08678	0.9
228.06718	1.3
229.06128	1.4
231.07668	2.0
242.08257	0.8
243.04079	0.9
243.11308	1.2
244.09776	7.3
245.09406	2.6
254.06825	0.8
258.06461	2.6
259.07159	1.7
259.10837	2.0
269.09299	1.9
270.07645	3.9
271.07288	3.0
272.07797	1.2
287.10352	100.0
288.10678	9.0
291.09879	2.3
313.08255	2.7
319.12912	2.7
321.15411	1.2
331.09317	44.5
332.09616	4.3
349.59753	0.8
363.11923	9.3
363.16541	6.7
363.23740	1.6
364.12552	1.0
364.17123	0.9
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
50.46334	0.4
52.30835	0.4
59.01377	22.5
60.01709	3.4
61.01789	0.9
61.98827	100.0
63.31689	0.4
70.42899	1.4
78.91881	0.4
97.24664	0.4
98.19891	0.5
100.87613	0.4
132.98395	0.4
157.79398	0.4
174.99255	2.0
175.99567	1.9
177.96722	0.5
178.98491	1.5
201.02521	2.8
202.02946	0.5
202.77614	0.4
203.02325	0.9
204.00006	4.1
204.02730	1.8
205.00116	0.6
210.04178	0.4
217.00310	6.3
218.00624	8.9
219.00902	2.1
219.02722	0.4
219.97748	55.0
220.99649	9.0
320.00891	0.5
344.43469	0.4
361.98242	0.7
362.01923	1.4
363.00809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98823	1.8
63.41838	0.7
68.99806	1.0
69.21965	4.1
69.22400	4.1
98.19888	2.0
126.20825	0.8
202.66245	0.8
217.07217	1.0
258.69022	0.9
263.20114	3.9
270.68890	1.0
361.27286	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71992	1.8
59.01378	100.0
65.41326	2.3
68.40073	1.8
71.46106	2.7
77.26985	1.9
82.09496	2.0
109.27502	2.0
125.60137	2.2
178.75288	1.7
279.70938	2.1
280.56290	2.3
303.23050	2.7
343.26294	7.3
361.27484	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	361.2749
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
53.31350	1.2
59.01372	3.1
61.98819	4.6
71.55752	1.5
109.06567	2.8
124.37047	1.4
140.22559	1.2
154.68265	1.2
171.10292	1.5
174.84279	1.1
218.06195	1.2
223.13332	1.7
251.20148	100.0
252.20557	8.7
263.20181	2.7
279.19656	3.1
279.22681	1.6
299.83194	1.4
343.26379	9.0
361.27457	45.8
362.27771	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	361.236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21970	0.3
57.59632	0.3
59.01381	19.6
59.11953	0.3
61.98809	0.3
62.94958	0.3
69.93454	0.9
89.58972	0.2
92.08249	0.3
160.36827	0.3
241.74509	0.3
259.52466	0.3
279.23282	100.0
280.23624	11.7
335.26340	0.4
361.15927	2.6
361.23584	25.5
362.23953	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	361.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.6
60.36202	0.6
70.88102	1.1
73.64046	0.6
98.19922	0.7
138.76755	0.7
140.76706	0.7
140.97508	0.7
153.19174	0.6
182.76572	0.8
275.20053	0.8
279.23273	100.0
280.23618	11.5
361.23569	24.6
361.27902	1.6
362.23788	3.3
377.79285	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2232
Annotation	bhos#20
Peak:m/z	Relative Intensity
57.03443	2.0
57.85382	0.4
59.01377	11.6
66.69732	0.4
69.03440	0.6
71.01380	2.4
71.05006	1.4
71.05400	0.4
71.54217	0.4
72.99331	0.6
73.02951	5.9
76.83228	0.3
83.01382	0.5
83.05022	3.6
84.02148	1.0
85.02930	2.2
85.06602	0.6
87.04527	0.4
89.02425	0.7
95.05003	0.4
97.06589	2.7
101.02443	0.8
101.06106	0.5
109.06596	1.4
110.64598	0.4
111.08156	1.2
113.02441	0.7
113.09712	0.7
123.08158	1.6
125.06100	1.2
125.09741	1.8
126.01642	0.4
127.07685	0.6
135.08105	0.4
137.09688	0.9
141.09212	1.8
143.10818	1.0
145.08720	2.6
151.11284	1.1
153.09187	2.6
153.12814	0.5
155.10825	2.7
163.11259	0.7
169.12279	0.8
179.10661	0.4
181.12343	7.0
183.07750	0.7
185.11862	0.4
187.09875	0.5
199.09729	0.9
207.13852	0.8
225.14894	0.5
227.06650	0.7
227.12901	2.5
245.13907	3.2
315.21564	0.6
319.21136	0.5
361.22293	100.0
362.22638	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	361.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.5
57.34448	0.4
59.01367	1.2
71.01372	0.8
71.05023	1.4
71.32368	0.7
73.02955	0.8
82.17824	0.4
83.05023	1.9
84.02168	1.1
84.79667	0.4
85.02939	2.1
85.06592	2.7
87.04501	1.5
90.75407	0.4
95.01389	0.4
95.05025	0.5
97.06570	0.9
111.08156	1.1
113.02434	1.7
113.06056	0.5
115.07648	4.6
123.08186	1.3
125.09681	1.1
137.09712	3.3
141.09204	1.8
145.08711	0.6
151.11270	1.6
153.12845	0.7
155.10777	5.5
163.11227	1.4
169.12256	0.5
179.10654	0.6
181.12340	9.2
182.12674	0.6
199.09744	6.1
213.11304	0.5
221.15544	0.7
227.12857	3.8
241.10884	2.7
245.13907	4.5
269.32837	0.4
307.60068	0.4
312.77411	0.5
343.21579	0.5
361.22281	100.0
362.22626	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	361.2231
Annotation	bhos#20
Peak:m/z	Relative Intensity
51.70153	0.3
57.03456	1.7
69.03448	0.6
70.53107	0.6
71.05024	1.6
73.02916	0.5
74.18491	0.3
83.05025	1.9
84.02168	1.3
85.02949	1.3
85.06590	1.8
95.05034	0.4
97.06592	0.9
97.11129	0.3
109.06618	0.4
111.08134	0.7
115.07656	3.7
123.08186	2.0
125.09726	1.4
126.30535	0.3
137.09685	1.2
141.09189	1.5
141.12820	0.4
151.10199	0.3
151.11258	1.7
153.12834	0.8
155.10655	0.4
163.11267	1.3
169.12299	0.4
171.13914	0.3
179.10733	0.3
181.12323	10.7
182.12698	0.6
199.13379	0.5
225.51819	0.3
227.12816	3.2
231.32509	0.3
245.13921	3.7
245.16255	0.5
324.86826	0.3
359.20557	0.7
361.22284	100.0
362.22629	12.6
362.27194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47735	0.4
53.11721	0.4
53.69901	0.4
57.54551	0.4
58.00590	0.4
59.01382	2.3
71.01003	0.4
71.01357	1.6
73.02942	2.1
85.02956	0.9
87.04509	2.1
97.06561	0.4
113.02456	1.4
135.08151	1.4
137.09724	9.6
155.10771	92.4
156.11099	6.0
169.12337	0.6
181.08762	0.9
199.09746	100.0
200.10075	6.2
213.11156	0.7
238.23555	0.4
241.10776	4.6
242.11125	0.5
361.14853	1.2
361.22217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1503
Annotation	Gibboside
Peak:m/z	Relative Intensity
54.15579	0.7
57.03453	1.4
58.00605	1.1
59.01381	8.6
62.05688	0.7
71.01369	6.4
71.54929	1.3
73.02942	4.5
83.01347	0.6
85.02950	4.4
87.04513	5.6
89.02452	1.6
95.01375	1.7
97.02934	1.1
101.02447	4.6
104.23112	0.7
113.02441	10.4
115.00415	0.7
135.08142	1.6
137.09711	17.8
155.10770	96.7
156.11116	4.2
161.04546	2.6
169.12303	3.2
181.08675	3.2
189.04211	0.7
199.09738	100.0
199.27168	0.8
200.10039	5.6
213.11310	2.8
241.10779	13.5
242.11214	1.0
253.10722	1.5
343.13757	1.0
361.15103	5.0
361.22174	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1503
Annotation	Gibboside
Peak:m/z	Relative Intensity
57.03452	0.8
59.01379	4.9
69.40556	2.9
71.01375	2.4
72.99297	0.4
73.02938	2.9
81.39888	0.5
85.02954	1.8
87.04504	3.1
89.02456	1.1
92.40787	0.4
95.01393	0.6
96.96022	0.5
97.02926	0.6
98.20717	0.7
101.02432	1.6
111.04551	0.5
113.02441	2.2
123.07990	0.4
135.08141	1.5
137.09705	10.4
138.10040	0.7
139.11331	0.6
152.10608	0.5
152.36926	0.5
155.10774	100.0
156.11092	4.9
160.04019	1.4
161.04668	1.7
165.74980	0.6
167.10661	0.6
169.12276	1.4
181.08653	1.4
189.04285	1.3
190.04926	0.5
197.11760	0.5
199.09743	97.4
200.10062	4.6
213.11336	1.4
218.10481	0.4
221.06827	0.6
241.10808	5.2
242.11259	0.7
247.11882	0.5
255.06570	0.5
267.11450	0.6
271.11923	0.6
285.08682	1.7
299.10114	0.6
300.15994	0.7
311.10248	0.8
343.12958	3.3
344.18463	0.8
361.14902	2.8
361.22107	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	361.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79623	1.1
57.03439	5.0
58.00594	3.0
59.01375	15.2
66.77544	1.4
67.87851	1.1
70.07446	4.2
70.07777	1.3
71.01386	13.2
71.05005	1.2
73.02943	5.2
81.03484	1.6
85.02961	13.4
85.06581	1.9
87.04513	15.2
89.02438	1.9
95.01388	5.3
97.02928	3.0
97.06561	1.5
101.02441	8.0
113.02451	28.3
115.07607	2.8
123.00137	1.3
123.08131	3.2
125.09685	1.5
131.03450	1.6
135.08147	5.4
137.09720	33.8
138.10077	1.4
139.11288	3.3
141.09183	2.2
143.03453	2.6
151.11259	2.9
153.09244	1.7
155.10774	88.2
156.11081	4.5
161.04541	5.0
169.12379	6.8
181.08717	6.3
181.12309	6.0
185.11781	2.7
199.09735	100.0
200.10077	4.5
213.11253	6.5
227.12915	3.0
241.00153	1.4
241.10808	40.8
242.11136	3.7
245.13855	1.9
253.10835	2.0
315.47101	1.6
361.14908	2.6
361.18564	7.7
361.22348	82.2
362.22812	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	361.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23046	0.3
59.01374	1.5
61.98831	0.6
69.58495	1.5
69.58910	0.8
71.01380	8.3
72.99293	0.5
73.02952	0.3
89.02441	0.7
98.19926	0.6
115.00372	15.5
116.00729	0.5
121.02969	0.5
125.09737	0.3
133.01430	14.2
135.04514	1.0
151.06348	1.6
172.05234	2.8
172.82089	0.4
185.05995	0.8
186.06854	7.3
187.03967	0.5
187.07214	0.6
188.04794	0.4
199.07701	0.6
199.09474	0.4
200.08360	1.6
201.09196	100.0
202.09535	7.8
204.04390	0.6
211.13356	3.8
215.07098	0.5
218.05797	2.9
232.07376	0.5
245.08160	35.1
246.08507	2.6
247.12036	0.5
274.04193	0.4
299.72668	0.4
361.09207	1.9
361.13257	0.5
361.18359	0.5
361.22238	2.4
362.19583	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51486	0.4
59.01382	21.6
59.01656	0.8
69.25697	3.7
71.01366	0.8
83.05003	0.5
90.84105	0.4
126.86331	0.5
209.15292	0.4
277.21716	100.0
278.22079	10.7
278.24942	0.3
355.02557	0.6
359.22061	21.9
360.22421	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	26.0
61.43951	0.4
71.01374	0.8
71.54018	0.9
73.98144	0.5
81.98215	0.5
82.90582	0.5
111.28690	0.4
212.86197	0.6
218.82826	0.6
239.80144	0.5
239.92169	0.6
268.87650	0.5
277.21719	100.0
278.22076	9.3
331.26334	0.7
359.22025	24.2
360.22504	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	360.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82511	0.3
59.01375	7.6
60.01712	0.4
69.42475	1.3
69.42886	0.5
71.01388	1.7
75.78665	0.3
80.96480	0.2
82.43079	0.3
82.67645	0.2
85.02962	0.5
89.02434	0.9
89.78005	0.3
96.62932	0.3
101.02434	0.6
108.02168	7.1
113.02406	0.5
115.00338	0.3
119.03450	0.6
119.08667	1.0
122.02491	0.5
132.03027	1.4
133.01476	0.5
134.01834	0.3
138.01964	100.0
139.00522	0.3
139.01527	0.3
139.02322	3.2
145.28992	0.3
147.55518	0.3
151.02760	0.4
163.03970	0.4
163.07683	0.3
180.03131	0.4
181.08687	1.2
199.09703	1.3
216.88756	0.3
221.08145	0.5
300.11703	0.3
320.95224	0.3
361.14978	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	359.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37318	0.9
57.03430	2.0
58.00583	1.2
59.01376	14.5
61.41034	1.0
61.98810	1.4
71.01380	24.9
71.05016	7.2
79.55769	1.0
83.05032	1.9
85.02937	3.2
89.02442	2.3
93.07085	13.9
95.04988	1.4
97.06576	9.6
99.04481	1.2
101.02383	1.1
109.02998	1.1
113.02448	1.9
113.06067	5.0
115.00349	1.7
121.02954	2.0
121.06567	3.5
122.06120	1.3
123.08147	4.0
124.07667	1.0
125.06097	6.0
125.09677	6.7
127.11286	5.6
133.01421	1.1
133.06575	4.6
135.08098	2.4
136.07631	0.8
139.11238	2.9
143.07117	4.2
146.06120	5.0
148.07724	2.1
150.09229	3.5
151.07642	21.5
155.10750	1.8
165.09186	2.6
169.08682	7.8
171.10260	100.0
172.10565	3.9
183.10280	1.9
199.09708	3.0
201.11307	83.3
202.11693	4.9
213.11305	6.1
215.11803	2.8
224.76257	1.0
241.14449	2.0
243.11368	8.0
243.15135	1.1
243.17462	1.9
261.14883	7.0
271.14545	3.2
277.18082	2.3
279.15930	4.7
287.13824	1.9
287.16541	10.0
299.18747	1.1
305.17572	48.4
306.17911	6.0
315.13486	22.8
316.13782	2.3
323.18646	14.1
324.18872	1.6
341.19672	10.6
359.12549	8.3
359.20740	24.0
360.21036	3.2
377.06497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2074
Annotation	LY255283
Peak:m/z	Relative Intensity
55.87317	0.3
57.03452	2.0
59.01105	0.4
59.01374	4.5
63.22343	0.3
68.20371	0.4
69.03459	0.8
70.54949	0.7
71.01389	3.2
71.05000	1.1
73.02959	0.5
81.03462	1.6
83.05037	3.0
84.02142	0.7
85.02947	4.6
89.02451	0.6
93.03432	0.6
95.05027	3.5
96.96035	0.4
97.02930	0.6
97.06580	0.6
99.04516	2.6
107.05009	0.4
109.02927	0.4
109.06564	1.1
110.03730	0.9
111.08146	1.1
113.06037	0.4
123.08147	1.9
125.09779	0.7
132.04584	0.6
133.01439	0.3
134.41946	0.4
135.08189	1.2
137.09712	1.2
141.09244	2.6
149.02443	0.6
149.09767	0.6
151.07579	0.3
151.11273	0.5
153.09247	0.3
153.12856	0.8
155.10788	1.4
163.11308	0.8
179.10902	0.4
181.12349	3.6
187.09761	4.8
191.10803	0.7
195.10277	1.5
199.13382	0.6
201.11273	0.4
209.11807	5.1
225.11385	0.4
227.12860	3.0
233.15509	0.6
237.11485	0.4
245.13943	3.3
255.12357	4.5
259.16946	0.6
341.19562	1.3
350.71704	0.4
359.20737	100.0
360.21075	11.0
381.64706	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.5
58.00579	0.5
58.80640	0.3
59.01384	5.5
69.03446	1.1
69.40408	0.8
69.40810	2.4
71.01375	4.2
71.04622	0.4
71.05006	1.0
72.99297	0.9
73.02927	1.3
77.97591	0.4
83.05018	2.7
84.02169	5.0
84.05289	0.4
84.67152	0.4
85.02946	1.9
85.06579	1.6
87.00890	0.7
87.04506	1.8
89.02428	0.9
93.07061	0.6
95.05031	9.1
96.65425	0.4
96.67685	0.4
96.95999	0.7
97.06570	1.4
101.02441	0.6
108.08182	1.1
109.06574	0.7
109.08539	0.9
111.08151	1.2
113.06088	5.2
115.00367	0.5
116.92845	1.4
119.03510	0.5
119.05029	1.2
123.08144	1.3
125.06028	0.4
125.09725	0.7
133.01448	0.4
134.03682	0.4
135.08139	0.7
136.01685	0.6
137.09726	0.6
139.07675	0.5
141.09203	1.9
141.12968	0.5
151.03998	0.8
151.07639	0.7
151.11295	1.0
152.07184	0.8
153.01939	0.4
153.07494	0.4
153.09143	0.4
153.12871	0.7
161.13330	0.4
163.03952	0.5
163.11275	0.9
169.57622	0.4
171.10278	3.2
173.04501	0.5
179.83472	0.4
181.12334	8.8
182.12688	0.8
190.94725	0.4
199.13463	2.8
201.11317	2.0
207.13908	0.6
209.11870	0.6
211.13361	6.5
212.13573	0.5
213.14925	2.4
223.13419	1.0
227.12874	2.0
241.14426	7.9
242.14809	0.7
243.12491	0.9
245.13885	5.3
251.12897	3.3
253.14429	1.5
257.89813	0.4
259.13376	0.7
269.13895	0.6
277.14368	0.7
299.11307	0.7
305.14056	1.1
305.17554	0.9
317.19653	1.5
323.14914	0.5
323.18521	0.8
341.19553	1.4
359.20728	100.0
360.21121	11.3
360.25372	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54523	8.4
55.85073	10.5
59.01382	100.0
60.42869	10.0
69.26942	25.8
69.27350	65.8
71.01369	30.3
89.02451	20.2
98.19830	22.2
101.02438	13.4
107.05004	15.8
119.03476	17.8
119.05031	14.8
132.37926	10.3
174.99248	11.6
201.02565	12.4
217.00294	41.6
276.11844	10.4
291.19366	12.2
299.11261	12.6
323.22205	16.3
368.05179	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	359.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98988	0.8
57.03448	1.6
57.25264	0.8
57.82553	0.8
58.00585	1.7
59.01378	25.2
61.98838	1.7
70.80086	1.9
71.01380	24.3
71.05016	8.1
72.01712	0.8
73.02921	2.0
83.01395	0.8
83.05009	1.0
85.02946	3.5
87.00861	0.8
87.04549	0.8
89.02451	3.0
91.05559	1.1
93.07085	8.4
95.05021	1.8
97.06590	8.5
101.02451	3.7
109.06595	1.1
113.02463	1.3
113.06078	5.3
115.00346	2.5
119.03508	1.2
119.05004	1.9
121.02945	1.7
121.06591	2.4
123.08166	3.3
125.06085	6.1
125.09715	5.4
127.11273	5.4
133.01279	1.1
133.06604	3.6
135.04546	1.6
137.09703	0.9
139.07628	0.9
139.11287	2.5
141.09167	1.0
143.07117	4.8
151.07635	16.4
153.01926	0.9
153.09248	0.8
155.10782	2.6
163.07614	1.0
165.09189	1.9
169.08733	4.7
171.10269	68.3
172.10620	3.7
193.05037	0.8
197.11780	1.9
199.09787	3.0
201.11316	100.0
202.11592	5.6
209.11864	1.4
213.11328	7.2
218.11859	1.8
223.07756	0.7
225.11351	0.9
237.11421	1.7
239.12936	1.0
239.97427	0.9
241.08864	1.1
243.17656	1.1
261.14969	3.5
277.17752	1.0
279.16016	2.6
287.16449	8.2
297.16937	1.8
305.17557	29.0
306.17929	3.0
317.16037	1.4
317.19537	1.2
323.18652	11.1
327.37634	0.8
341.19714	13.7
344.12628	1.1
354.58554	0.9
355.73538	1.1
359.16724	2.2
359.20770	28.2
359.24939	2.0
360.17654	2.2
360.21164	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	359.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16822	1.3
57.03441	3.6
58.00582	3.3
59.01377	33.9
61.98825	2.8
69.03439	1.9
71.01376	16.5
71.55705	2.4
73.02946	1.4
75.00871	1.9
79.13795	1.4
81.03452	1.4
83.05009	6.0
85.02946	3.4
87.00877	16.0
89.02451	5.4
89.12295	1.4
95.04999	2.2
96.96012	2.4
97.06576	2.8
99.00897	1.3
100.48078	1.3
101.02432	3.6
108.02163	1.6
109.06593	2.7
111.04469	1.9
111.08161	1.8
113.02465	2.5
115.00346	1.8
119.03543	2.3
121.06611	1.7
125.09737	2.2
133.01454	2.4
134.03758	1.8
135.04509	3.8
136.01649	3.2
137.02419	2.9
143.03474	1.6
147.03168	6.6
151.03996	4.6
153.09190	2.3
159.03154	1.4
163.07602	1.7
165.12827	3.1
167.14290	1.6
171.27841	1.7
179.10747	1.9
179.14410	2.2
183.13919	6.9
185.00916	1.9
185.15421	1.8
189.12935	1.9
191.02199	1.7
191.14461	1.9
195.13905	3.5
197.15532	1.8
201.11331	2.0
209.11823	2.1
211.13380	85.3
212.13713	3.8
213.14955	37.8
214.15179	2.0
217.10664	2.7
221.08925	1.6
223.13437	9.7
225.11249	2.1
225.14897	2.3
227.04535	2.4
233.11781	1.6
235.13348	3.3
241.14435	100.0
242.14732	8.1
243.07735	7.3
243.12285	4.3
243.15901	2.9
251.12848	38.8
252.13127	4.0
253.14421	13.9
254.14894	1.7
259.13315	9.3
263.12839	3.6
265.14392	3.1
269.13879	6.4
270.14383	1.6
277.14426	14.3
279.08932	1.5
293.13983	2.4
299.18759	3.4
305.13989	8.5
317.19754	1.8
323.14856	4.4
329.10257	2.0
331.17313	1.8
344.12662	2.6
359.08508	10.4
359.16302	3.0
359.20721	32.2
359.25021	2.7
360.21353	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	359.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
57.03441	2.6
58.00577	1.0
59.01380	100.0
59.52538	0.8
61.98840	1.2
65.10896	0.8
71.01380	41.5
71.05015	2.8
71.55270	1.3
72.99304	1.7
73.02951	9.4
83.01388	5.4
84.02144	1.0
85.02952	13.6
87.00864	1.8
89.02439	6.3
93.07109	2.1
95.01376	2.2
97.06586	4.3
99.00882	3.0
101.02441	24.8
102.02784	1.0
108.02209	1.0
111.08134	0.9
113.02453	12.1
113.06095	1.7
115.00365	1.1
119.03526	2.5
121.03002	1.1
123.08125	0.9
125.02424	0.8
125.06091	2.6
125.09724	2.5
127.11304	1.5
133.06543	0.9
137.09685	1.5
143.03462	2.1
143.07159	2.0
151.07657	5.9
153.09224	1.2
155.10747	3.6
159.02953	1.9
161.04552	12.8
163.07661	1.0
165.09225	1.1
169.08649	1.6
171.10269	26.4
172.10506	1.0
197.11768	1.5
199.09773	1.1
201.11316	33.2
202.11700	1.2
203.11710	1.0
213.11292	2.4
218.11833	1.1
234.87938	0.9
241.00241	1.0
241.14481	1.1
251.12651	0.9
261.14960	2.1
277.11963	1.0
287.16614	1.4
299.14975	5.1
305.17596	11.9
306.17838	1.1
317.16049	50.8
318.16364	3.5
323.18439	3.2
341.19611	5.0
359.16980	2.1
359.20877	14.3
360.17792	1.6
360.21530	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1347
Annotation	Semperoside
Peak:m/z	Relative Intensity
59.01373	25.4
69.03457	2.5
70.23287	2.8
71.01379	14.1
71.05019	16.9
72.05417	1.1
72.99295	1.5
73.02921	1.7
78.66399	1.1
83.05035	4.1
85.02947	5.7
89.02443	9.9
94.90546	1.2
95.01399	1.3
95.05035	1.3
96.96021	3.9
97.06580	1.0
99.00078	1.0
99.57292	1.1
100.54489	1.1
101.02421	6.3
107.08671	2.0
110.74545	1.0
111.04520	2.6
113.02444	7.6
113.06190	1.3
116.35561	1.1
119.03479	2.9
133.10234	3.7
135.08176	3.8
137.09737	1.5
153.09210	100.0
153.12820	11.1
154.09567	6.1
179.05603	1.7
179.07097	1.5
179.10712	1.9
181.12334	2.3
197.08183	98.4
197.11823	33.0
197.13557	2.2
198.08546	5.8
198.12103	2.9
241.14610	1.1
281.50244	1.6
356.11719	1.1
359.20679	26.1
360.20938	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	359.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14467	0.2
59.01377	3.4
61.98820	0.9
69.66881	0.9
71.01380	0.2
87.00881	0.2
98.20625	0.3
109.02943	1.9
109.85343	0.2
123.00861	0.2
123.04528	0.2
134.03706	1.1
135.04520	100.0
136.04851	4.8
137.02449	3.1
137.55617	0.2
138.03214	0.2
152.38206	0.2
153.05597	0.5
157.03540	0.2
163.80420	0.2
174.34174	0.2
174.99216	0.9
182.02156	0.2
197.04544	0.9
201.02562	0.9
217.00288	3.5
271.50882	0.2
297.09702	1.0
359.01349	0.4
359.09833	6.2
360.10052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11978	0.2
59.01389	1.5
61.98830	0.4
69.82561	1.4
70.96684	0.2
71.01362	0.4
72.99302	0.7
73.90448	0.3
89.45556	0.2
93.03431	0.4
97.80128	0.3
107.05006	0.5
109.02941	3.1
118.78639	0.3
123.00869	0.6
123.04465	0.3
133.01453	0.3
134.03732	0.8
135.04518	100.0
136.04843	4.7
137.02455	1.3
138.03192	0.8
139.04008	0.5
153.05586	0.4
162.05635	0.5
174.59937	0.2
179.03546	0.5
180.06674	0.4
182.02287	0.3
197.04550	2.2
217.00301	0.5
271.08160	0.5
272.70404	0.3
297.09775	16.5
298.10153	1.8
327.08075	0.2
359.09711	1.6
384.62027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1346
Annotation	Semperoside
Peak:m/z	Relative Intensity
59.01379	20.7
61.50513	1.1
63.65886	0.9
66.29102	0.9
69.37363	1.2
69.59843	6.8
71.01379	14.3
71.05013	17.0
73.02950	2.1
83.05030	1.6
85.02948	4.3
89.02445	10.9
97.02962	1.7
98.20785	0.9
101.02446	7.0
107.08714	1.4
111.04522	2.2
113.02445	7.1
119.03510	3.4
119.04967	0.9
133.10234	2.5
135.08176	3.6
153.09209	99.5
153.12804	11.5
154.09508	4.1
179.05647	1.0
179.07103	2.0
179.10890	1.3
181.12331	1.4
182.99770	1.2
195.10211	2.0
197.08182	100.0
197.11815	37.3
198.08490	7.8
198.12097	2.6
214.27109	1.0
359.13315	1.4
359.20612	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	358.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	7.5
61.98829	100.0
65.30672	2.3
66.51263	2.6
69.77168	14.6
83.01380	2.4
100.14288	2.8
131.26579	2.4
160.09070	2.3
163.71388	2.6
199.95615	2.3
299.11377	2.8
300.15585	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	358.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37556	24.5
55.21048	28.8
59.01375	100.0
67.50306	24.6
67.57742	25.3
69.83833	26.8
71.55144	33.1
85.67274	26.7
86.19940	26.7
89.02464	28.5
128.18352	29.6
141.96190	30.3
214.32947	25.9
214.47131	31.4
228.48930	30.6
281.28027	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	359.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88570	0.4
59.01377	80.1
59.24170	0.4
60.01711	1.3
69.67487	1.3
69.67891	1.1
83.16904	0.4
90.97155	0.8
96.51600	0.4
124.86416	0.5
132.98195	1.5
157.03551	3.0
159.01552	0.6
172.29674	0.5
174.99240	20.4
201.02541	23.4
202.02715	2.5
217.00279	100.0
218.00697	3.6
236.55521	0.5
317.00906	0.6
359.01477	5.6
360.01654	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0982
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
53.09144	0.8
54.56469	0.7
55.10204	0.9
58.00603	0.9
59.01376	13.8
68.11246	0.8
70.83106	1.9
71.01383	7.3
72.99305	71.9
85.02972	0.9
89.02439	9.5
96.95967	1.4
101.02453	5.4
107.05038	1.0
109.02928	2.0
113.02422	3.0
115.00385	1.1
119.03477	4.3
123.00865	3.8
123.04518	27.3
133.01378	1.7
134.03696	2.1
135.04520	51.5
136.04814	2.3
138.03194	2.9
151.03976	2.2
153.05661	1.6
163.45633	0.8
164.04745	2.1
179.03491	45.9
179.05217	1.5
179.06880	4.3
180.03830	1.6
182.02200	2.5
197.04533	100.0
198.04918	5.1
217.00169	1.0
250.96873	0.8
260.25986	0.9
359.09769	77.7
360.09897	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	358.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21669	1.1
58.00588	1.3
59.01378	36.7
61.98825	4.2
67.62725	1.1
71.01380	23.3
71.33609	1.9
72.99306	21.2
80.05045	2.9
83.01360	1.5
85.02970	3.6
87.00867	8.5
89.02444	24.6
89.02998	1.3
92.05048	1.2
94.06587	1.1
95.01368	2.7
96.96001	3.4
101.02438	12.1
102.53279	1.0
107.85681	1.1
108.02160	2.4
108.04552	4.7
109.02948	1.4
113.02432	8.7
119.03493	9.0
119.05022	1.5
120.04546	3.8
121.05336	2.3
122.06135	9.2
123.00826	6.5
123.04511	7.4
124.04035	1.4
133.01407	4.6
134.06094	1.7
135.04526	17.5
136.04034	3.8
137.04805	4.4
138.03229	6.2
148.04034	1.9
149.02444	2.8
149.04825	14.8
150.05603	13.6
151.04025	1.6
152.01143	2.0
152.07104	1.4
153.05559	4.6
160.04007	2.8
161.04488	1.9
164.03505	7.8
164.04796	8.5
166.05125	2.1
166.99806	1.5
177.04303	37.7
178.05093	35.4
179.03525	14.1
179.05467	3.0
179.06999	8.0
179.70345	1.1
181.03804	8.0
182.02185	5.0
196.06189	1.1
197.04549	40.0
197.08319	1.5
217.00291	3.5
285.06137	3.7
323.13544	2.2
328.10428	1.6
340.10291	16.3
341.10568	1.9
358.11407	100.0
359.09528	30.9
379.53952	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.4
59.01375	7.4
60.42398	0.4
61.98824	0.5
62.18433	0.4
69.03455	1.3
71.01390	4.7
71.44332	0.4
71.54874	0.6
73.02940	0.7
85.02950	1.6
87.00883	1.2
89.02447	1.1
95.01390	0.6
97.02955	0.5
101.02448	1.9
103.40148	0.4
108.08194	100.0
109.08523	3.3
113.02420	2.6
115.00363	1.3
116.51827	0.5
116.92875	0.4
118.96706	0.4
119.03675	0.5
120.08206	3.0
122.09740	0.4
130.08777	2.6
132.08151	1.4
133.01436	0.6
135.04517	1.6
141.04500	0.4
147.03006	0.6
148.07689	1.7
149.06026	0.5
152.07169	83.9
153.07527	3.2
164.07130	1.2
166.08727	18.3
167.09036	0.5
171.10313	0.7
172.10626	0.6
176.07182	0.9
178.05171	0.5
179.07124	0.8
179.14342	0.5
180.07932	0.8
183.10197	0.9
185.00887	0.7
187.87877	0.4
194.08220	8.4
195.08618	0.5
195.13965	0.5
196.06140	55.1
197.06499	3.0
209.11794	3.1
211.13374	7.5
213.14949	3.5
223.09692	1.8
223.13348	1.2
227.12814	2.0
238.07187	10.4
241.14441	10.1
243.12268	3.1
251.12849	2.9
253.14424	1.3
259.13330	1.1
263.12677	0.4
269.13861	0.5
271.15613	0.4
277.14432	1.6
280.08234	0.5
281.07977	0.4
298.09253	6.7
299.09467	0.6
299.18604	0.4
305.13879	0.8
317.19635	1.2
323.14838	0.5
329.14212	0.5
340.12305	0.5
358.11349	11.3
359.11816	1.0
359.20618	3.7
359.24487	0.7
378.69437	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01720	1.4
60.68627	0.9
61.27904	0.8
71.01396	1.7
71.56161	1.1
83.01381	2.9
83.34930	0.9
108.02186	5.6
109.02955	4.5
111.00838	1.4
115.41862	0.8
118.50137	1.0
121.02958	7.2
122.03724	1.1
123.00861	4.0
123.04508	3.8
124.01619	3.3
125.09708	1.5
135.04478	1.3
136.01634	1.7
141.09192	2.2
164.04855	0.9
171.10242	0.9
174.06804	1.9
177.05621	0.8
181.74699	1.0
187.09714	1.7
189.09253	1.5
191.07126	2.4
203.09158	1.2
223.13365	4.2
297.17035	1.0
312.16287	1.0
320.03024	1.0
342.11063	1.9
357.06424	1.7
357.13440	22.0
357.26505	2.4
358.13629	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2643
Annotation	16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol
Peak:m/z	Relative Intensity
57.03448	25.6
59.01376	2.8
64.26665	0.6
66.63387	0.6
66.67497	0.6
69.03454	1.8
71.01371	0.8
83.01375	1.3
83.05013	0.8
85.06584	14.8
97.06593	0.6
98.20694	0.9
102.76833	0.5
121.02940	2.5
125.09737	1.7
141.09270	0.8
141.12831	0.9
143.10767	7.6
151.04018	1.0
169.15964	1.1
178.39105	0.6
183.17519	2.2
187.09799	2.0
209.19072	2.1
211.17024	21.4
212.17311	1.8
237.22249	8.7
238.22459	1.0
239.20190	2.8
255.23251	0.9
256.34979	0.6
278.16550	0.6
279.23318	2.2
295.26370	1.7
297.24323	8.0
298.24542	1.0
313.27493	7.2
314.27890	0.7
333.57104	0.6
357.06393	1.1
357.13864	3.0
357.26447	100.0
358.26773	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	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53076	1.0
54.33311	1.0
55.65041	0.9
57.03459	1.6
59.01381	100.0
60.01725	1.2
70.01559	3.6
70.01917	1.9
71.01375	8.8
73.02943	2.0
81.36435	1.0
83.01394	3.1
85.02953	4.1
89.02448	1.2
95.01340	1.2
96.17070	1.1
99.00884	1.7
101.02439	3.6
113.02452	2.5
151.04063	1.3
161.04555	3.6
161.05995	1.6
163.03986	1.3
201.11221	2.3
204.85875	1.3
209.11792	1.7
259.35770	1.1
267.68872	1.1
278.93546	1.2
327.25259	1.7
342.11221	1.6
352.27884	1.2
357.13498	6.5
357.22760	1.9
357.26501	20.9
358.26648	1.3
370.61389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1915
Annotation	19-hydroxy-2,3-dinor-6-oxo-PGF1alpha
Peak:m/z	Relative Intensity
52.68297	0.9
55.01861	1.1
57.03432	6.2
59.01376	80.6
61.98827	1.7
68.26213	0.9
69.03452	14.0
69.66641	5.6
71.01374	7.1
72.58816	1.0
72.99319	1.3
83.01374	1.9
83.05019	10.6
84.00893	1.3
85.02959	1.8
87.00867	1.4
89.02430	1.9
93.07082	3.2
95.01420	1.2
95.05020	1.9
96.96019	1.0
97.02938	4.0
97.06567	4.9
98.02479	2.6
98.19902	1.9
99.00873	4.2
99.04514	1.4
101.02428	2.7
107.05013	4.1
109.06577	2.1
110.03733	0.8
111.08138	2.3
112.04053	1.7
112.39319	1.1
113.01139	1.0
113.02439	2.0
117.07088	1.4
119.03504	0.9
119.05015	3.4
120.05791	3.2
121.06566	0.9
123.00865	1.0
123.04464	1.0
123.08160	7.4
125.06069	14.1
130.08699	4.4
133.06590	1.4
134.03687	2.0
134.06111	7.0
134.85500	1.0
135.04529	2.7
135.08154	18.8
138.01962	2.8
139.07573	1.5
141.09201	3.2
141.10225	1.4
149.06042	2.0
151.04031	2.1
151.07590	1.3
153.09160	3.1
159.10194	1.4
161.04550	1.5
167.07104	4.0
178.05103	7.9
185.00917	10.7
185.08179	36.9
186.08508	1.5
195.06586	6.0
220.39728	1.1
235.58716	1.0
263.95251	1.0
269.11420	4.6
306.82700	1.0
314.13638	4.6
319.13986	3.1
321.15515	1.1
339.18042	1.9
350.99503	0.9
357.19144	100.0
358.11722	2.0
358.16531	0.9
358.19626	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	357.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.7
59.01383	8.3
69.03442	2.7
69.36810	6.7
69.37220	3.1
71.01360	4.4
71.05019	1.8
73.02947	1.2
80.02653	2.3
81.03439	1.8
83.05016	2.6
85.06627	1.3
87.04488	2.2
92.72537	1.2
93.03441	4.1
97.02936	2.1
97.06587	5.0
98.20651	2.6
99.04493	2.4
106.04236	1.1
108.02157	5.1
109.02973	2.3
109.06589	19.5
110.03717	1.3
113.06062	2.3
117.10571	1.2
121.02921	1.9
121.06564	10.6
123.04504	1.9
123.07245	1.7
123.08154	28.8
124.01579	1.4
125.06045	1.7
125.09730	16.5
127.11254	6.0
133.06528	1.4
135.04486	1.1
135.08060	1.5
136.01689	1.6
137.06079	20.6
137.09703	2.9
138.03183	4.2
139.07620	4.1
139.11273	2.8
141.05562	3.4
146.03731	1.7
149.06102	2.0
151.07594	3.7
151.68610	1.3
155.07117	3.5
155.10767	3.4
160.05333	1.8
160.36604	1.1
165.09175	2.4
167.07130	76.6
167.10802	2.1
168.07457	3.4
169.90942	1.1
171.10252	36.9
172.10541	2.0
177.05490	1.9
183.10265	2.7
185.08223	6.2
187.09695	3.8
191.06947	1.2
199.09735	4.5
201.11311	100.0
202.11674	4.0
203.07085	2.2
211.09683	4.0
213.11314	5.7
217.10736	3.2
218.58394	1.2
221.08200	2.0
229.10797	24.1
230.11195	1.5
239.12761	1.7
251.12955	1.2
263.20181	1.3
276.34518	1.1
277.17957	2.8
285.14874	4.8
286.15237	1.3
293.17484	2.4
303.15970	14.7
312.10248	1.4
321.17041	66.3
322.17355	8.2
324.09799	1.5
327.12375	4.9
339.12238	4.3
339.18091	10.4
357.13446	9.4
357.19168	8.9
357.26303	2.3
358.19443	1.2
360.62387	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84851	0.6
59.01378	73.6
60.01702	0.8
69.26151	6.0
71.01380	10.6
73.02954	3.4
73.15980	0.6
83.01386	2.6
85.02942	4.5
86.00081	0.7
87.00843	1.0
89.02484	0.8
95.05011	0.6
96.96020	1.8
97.02959	0.9
97.06608	0.8
99.00915	1.2
101.02439	3.8
109.06604	1.0
113.02438	2.5
120.99654	1.5
123.08156	1.5
125.02435	0.7
125.09715	11.2
126.10068	0.7
130.08778	0.8
133.02965	1.0
135.04503	3.2
136.01669	1.9
136.05280	1.3
137.06099	3.9
139.07712	0.7
143.03453	1.1
151.04024	1.5
151.07625	2.1
152.07266	0.7
153.09210	100.0
154.09535	5.0
161.04562	2.3
177.01910	1.2
177.24356	0.7
178.05103	1.3
179.03523	1.0
179.32680	0.7
184.31653	0.8
203.05580	4.1
224.42424	0.7
225.11308	0.9
243.06754	0.7
248.21133	0.7
261.15021	0.9
315.14609	3.4
357.09830	1.4
357.14893	3.0
357.19159	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1343
Annotation	4,6,4'-Trihydroxy-2,3'-dimethoxy-3-prenylbenzophenone
Peak:m/z	Relative Intensity
59.01368	2.5
61.98840	0.6
65.63467	0.6
67.01886	4.0
68.56690	0.7
71.01389	1.9
71.54780	0.8
78.82598	0.6
83.01395	3.8
93.03463	0.9
95.01395	4.4
107.01374	1.3
108.02177	33.3
109.02347	0.8
109.02969	11.1
110.00134	0.6
111.00167	0.8
111.00885	11.3
121.02972	6.0
123.00890	29.0
123.04526	19.9
124.01677	18.5
125.02462	1.3
135.04523	1.8
136.01662	3.5
138.03177	1.6
139.00346	2.4
140.98302	0.6
151.03998	2.8
159.04550	1.3
160.05247	0.9
161.05911	0.9
163.03975	2.1
165.05551	1.5
171.74545	0.7
173.06050	2.4
174.06862	8.8
175.03989	1.3
175.07585	1.3
177.05591	3.3
186.56976	0.6
189.05553	1.2
189.09207	4.2
190.06340	3.8
191.07137	10.4
202.06412	0.9
205.08662	2.2
209.11728	0.8
217.04987	1.0
218.05885	1.0
219.06512	0.8
233.08240	5.9
327.12299	2.0
339.12302	1.5
342.11148	8.7
357.13419	100.0
357.26486	1.7
358.13748	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	357.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.7
59.01379	23.5
61.98821	26.0
68.99837	3.5
70.16304	6.5
70.16693	6.9
71.01381	13.9
73.02959	4.0
81.03479	6.2
83.01385	14.3
85.02950	6.6
87.00867	2.9
88.44207	2.6
89.02469	4.6
93.03461	45.6
96.96016	5.0
97.03004	3.1
101.02438	9.5
108.02181	12.9
109.02988	3.3
113.02404	6.1
114.02009	3.9
121.02943	5.8
122.03722	3.4
123.04526	45.6
124.04848	3.1
125.02445	78.7
129.16257	2.8
134.03748	10.1
135.04544	18.4
136.01665	6.7
137.01460	5.7
137.02452	92.6
137.06032	4.8
138.02800	4.5
149.02429	10.6
149.06062	10.2
150.06859	100.0
151.03976	17.4
151.07492	3.6
152.01122	6.8
153.05562	42.5
159.06653	4.2
160.04031	10.2
161.04550	9.0
165.05565	5.5
166.64154	3.1
167.03500	45.1
176.70590	2.5
185.36192	2.7
191.03490	8.6
193.05008	4.6
193.08716	3.8
194.98415	4.3
195.03012	14.5
195.06630	8.8
209.04619	2.9
219.03053	5.3
255.62816	2.9
299.07773	9.0
329.08377	3.3
357.03854	5.2
357.08182	23.1
357.12518	29.6
358.13104	2.7
381.10275	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93258	0.5
59.01379	3.1
61.98830	0.9
62.32640	0.4
69.43668	2.5
71.01376	1.2
80.70023	0.4
83.01402	0.5
89.02456	0.6
93.03460	0.4
95.01392	0.4
95.05003	1.2
96.96012	0.8
98.20647	0.5
99.12596	0.4
101.02424	0.7
113.02451	0.5
119.05095	0.4
122.03786	0.7
123.04521	68.9
124.04845	2.2
130.85985	0.5
134.03757	1.1
134.04686	0.6
135.04520	10.9
151.03979	3.9
153.05568	100.0
154.05896	5.0
162.03172	0.8
177.05563	1.2
195.06706	2.5
206.51563	0.5
226.02084	0.5
262.99152	0.4
263.18231	0.4
336.22144	0.5
357.12115	2.5
357.21530	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53508	4.9
58.99462	4.6
59.01374	27.6
61.98833	24.4
69.03453	10.3
69.56541	9.0
69.56955	19.1
71.01366	17.5
72.65558	4.3
72.71453	4.1
73.52325	4.0
74.00927	4.1
83.01365	11.6
85.02940	8.3
85.06820	4.7
89.02419	6.9
93.03452	41.6
95.05019	5.0
96.96000	24.6
99.00873	7.0
101.02417	6.2
113.02399	5.4
117.21248	4.1
118.44429	4.6
123.04529	58.4
125.02462	35.2
127.16872	4.1
131.04628	4.4
135.04524	32.1
136.01617	5.3
137.02441	100.0
137.05948	4.6
149.06119	8.0
150.06863	49.1
151.04004	36.9
151.07298	5.4
153.05559	63.4
161.04517	8.4
167.03473	18.8
170.71924	5.0
177.05431	6.1
185.00827	8.8
191.03354	5.2
192.95753	7.9
195.02948	19.7
195.06584	11.4
196.05957	4.8
203.01779	6.1
236.98868	4.9
299.07648	6.2
321.14865	4.6
357.08484	17.4
357.12982	22.9
358.12274	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	357.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32623	0.9
53.52196	0.9
55.01864	4.3
57.03439	1.7
58.00581	1.9
59.01379	63.3
60.01713	0.9
61.98832	1.5
66.41823	0.9
69.03455	100.0
69.71661	1.8
69.72068	4.4
70.03786	2.9
71.01382	38.8
72.99310	4.7
73.02945	6.0
75.00842	1.1
79.01908	3.1
82.22278	0.9
83.01364	4.1
85.02954	15.1
87.00878	2.0
89.02444	24.1
93.03441	5.7
95.01368	5.8
96.96050	1.0
97.02949	21.4
97.03576	1.2
98.03268	0.9
99.00874	28.9
101.02435	22.0
101.39806	0.8
103.13084	0.9
107.07640	0.8
113.02442	16.8
117.00137	0.9
119.03510	10.8
119.04993	3.8
123.00817	1.2
123.04472	1.7
127.07647	6.8
130.08714	1.3
131.03513	0.9
133.01485	0.9
134.03734	5.1
135.04405	1.6
136.01668	1.8
141.01949	7.2
143.03444	3.0
146.03688	1.0
147.04509	0.8
149.02489	0.9
149.05997	1.0
151.04016	2.8
156.09673	1.0
159.02985	2.3
161.02490	1.2
161.04562	12.9
161.05934	2.1
171.06662	2.3
177.09227	9.7
179.03404	0.9
179.05585	2.0
183.10355	1.0
185.00909	78.1
186.01231	4.0
193.04973	1.2
194.05452	1.0
195.03149	1.0
195.04875	1.5
195.10210	2.2
203.01933	4.8
204.20242	0.9
225.06563	1.3
226.11916	1.1
280.08524	1.3
295.10696	1.2
313.11737	2.8
321.15372	6.7
357.08041	12.9
357.15387	4.2
357.19370	2.1
358.09406	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0978
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
56.09081	0.5
59.01375	4.5
65.00316	0.9
70.55830	0.9
70.56170	1.4
71.01359	0.9
83.05065	0.6
89.98820	0.5
91.01896	3.2
93.03452	5.9
96.99303	5.0
103.69151	0.5
108.02184	1.7
117.03468	2.2
119.05019	19.2
121.02947	1.3
123.04498	7.7
124.01592	0.6
131.05023	2.2
132.05862	0.9
133.02917	2.9
134.03737	22.4
135.04536	5.0
137.02385	0.7
139.35521	0.6
143.05026	8.3
145.02957	3.1
146.03740	4.2
147.04572	3.3
148.05347	1.0
149.06067	2.1
153.05573	0.6
158.03670	2.7
159.04512	5.9
161.06139	3.2
163.04004	7.2
171.10225	1.2
173.06050	2.0
174.03220	1.4
178.02719	1.4
187.03972	1.2
193.05017	3.4
196.33488	0.6
211.07634	1.4
226.06412	3.6
235.07611	1.5
239.07005	1.0
241.08699	2.4
250.06342	1.1
251.07109	17.1
252.07799	8.9
253.08699	6.6
254.09436	3.7
262.85388	0.5
265.08606	1.0
267.10202	1.3
279.06714	4.7
280.07367	13.7
280.10294	1.1
281.07828	1.2
295.09753	9.8
296.10123	0.8
313.10815	8.0
324.06247	1.6
339.08765	4.6
357.09775	100.0
358.10080	11.5
376.07172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01471	0.6
59.01376	1.0
60.74979	0.5
61.23650	0.5
61.98829	100.0
67.57578	0.5
71.55967	0.7
75.40733	0.6
83.01372	0.8
95.10737	0.5
121.02968	1.0
142.39879	0.6
175.48326	0.5
190.05159	0.5
221.15375	0.5
249.64844	0.6
257.04477	0.5
330.07910	0.5
332.94672	0.5
356.25204	0.6
357.13708	1.0
371.95349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98537	7.0
61.98831	100.0
69.62690	22.4
69.63100	12.9
72.26227	4.9
74.04433	4.8
109.96638	5.5
169.86487	5.3
174.98764	5.6
197.07556	5.7
261.45407	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	356.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21926	3.2
54.60631	3.0
59.01377	4.6
60.17107	3.7
61.98833	100.0
69.85817	13.7
83.01386	4.3
90.76503	3.0
98.20604	6.2
121.02941	4.8
151.04030	4.7
224.24168	3.3
312.26266	13.3
327.12402	3.6
357.13483	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	356.0986
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
59.01104	0.5
59.01376	5.8
61.98824	0.6
63.77646	0.4
69.53384	2.2
70.20365	0.3
71.01376	1.5
72.23994	0.4
85.02948	1.1
89.98026	0.4
93.23065	0.3
96.95331	0.4
101.02468	0.5
106.06623	100.0
107.06954	3.9
108.08199	5.5
113.02484	1.7
118.06629	0.6
120.08170	0.7
130.06595	1.1
130.08772	0.8
130.10934	0.4
131.03766	1.5
135.04536	0.7
136.01639	0.4
146.06065	0.7
150.05600	53.0
151.03993	1.0
151.05945	2.6
161.04617	0.4
162.05695	0.6
164.07164	9.8
165.07458	0.7
171.10294	1.5
174.05600	0.8
192.06651	6.4
193.06982	0.6
194.04576	29.4
195.04832	1.7
236.05649	4.1
296.07690	4.0
328.13019	0.4
339.11942	0.4
356.09836	11.0
356.16650	0.5
357.09814	0.9
357.13855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03332	0.4
59.01381	4.3
61.02032	0.3
62.65010	0.3
68.52544	0.3
69.03445	0.4
71.01373	1.2
71.54660	0.5
72.15289	0.4
72.44299	0.3
84.18250	0.4
85.02939	0.6
87.00882	0.4
97.04465	0.4
97.70160	0.4
99.00896	0.4
101.02474	0.7
104.05083	0.4
106.06626	100.0
107.06950	4.7
113.02455	1.9
115.00381	0.7
118.06630	3.1
120.08233	0.4
128.03484	0.6
130.08728	2.3
130.14609	0.3
135.04475	0.5
146.06120	1.3
150.05602	81.2
151.05939	3.2
161.04593	0.4
162.05630	0.5
162.27744	0.4
164.07162	13.2
165.07448	0.8
171.10277	1.7
175.02402	0.4
192.06654	9.9
193.06952	0.6
194.04572	14.9
195.05000	0.9
203.48505	0.4
236.05637	1.6
296.07715	1.4
312.15451	0.5
356.09845	9.9
356.20837	1.1
357.10071	1.3
357.13770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2279
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
56.44809	1.0
59.01375	1.8
61.98829	2.2
66.20970	0.9
70.70969	0.8
70.91806	2.0
85.02940	2.6
91.83530	0.8
95.39996	0.8
96.93061	0.9
100.68964	1.1
101.06101	0.9
102.31037	1.0
109.02950	2.9
111.00909	1.7
122.03748	9.1
125.06089	1.0
125.97873	0.8
127.07674	2.1
127.64427	0.9
135.03506	1.7
135.04521	24.0
136.01666	2.1
136.04855	1.3
147.08151	3.7
149.06059	2.7
149.09721	8.6
151.07671	2.2
154.02686	1.7
161.09756	8.2
163.07680	2.4
163.11281	50.9
164.08441	15.4
164.11597	2.7
165.09178	7.2
177.09206	72.2
178.09946	16.9
179.10770	75.2
180.11113	4.2
183.10231	1.9
191.10760	10.3
193.08734	8.6
265.12286	2.1
269.12277	0.9
280.14630	4.2
281.15448	1.1
298.15723	47.3
299.15921	4.4
307.17014	1.7
309.22388	2.0
319.47379	1.0
337.18381	0.9
337.21713	48.8
338.22095	8.4
340.20401	94.1
341.20743	13.0
355.22775	100.0
356.23096	14.9
378.12378	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2488
Annotation	Prostaglandin F1alpha
Peak:m/z	Relative Intensity
55.01868	0.6
55.23622	0.4
57.03446	3.5
59.01365	2.0
61.98823	1.2
69.03454	3.9
69.38769	2.2
69.39175	1.1
71.01376	0.5
71.05015	1.1
83.01389	0.7
83.05025	0.7
85.02948	16.2
97.02919	2.3
97.06600	3.0
119.05009	0.7
119.08658	0.7
121.02956	2.9
125.09738	0.5
135.08101	0.5
137.09711	4.5
152.99545	0.7
153.12875	0.6
155.10811	0.6
155.14378	0.7
161.04593	0.4
181.12289	0.7
190.41768	0.4
199.13393	31.3
200.13689	1.9
211.16991	1.1
213.14966	0.7
221.15465	1.1
223.07483	0.4
229.14435	2.3
237.14999	0.8
239.16521	9.0
240.16879	0.7
241.14511	0.6
249.14960	2.1
257.17618	5.3
305.17743	0.5
311.09329	3.3
319.22839	1.4
337.24026	1.1
355.08057	1.5
355.15881	2.5
355.24881	100.0
355.82074	0.5
356.25287	12.1
378.44577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99818	1.3
57.03439	1.8
59.01376	47.7
59.07431	1.4
61.98827	40.1
65.18810	1.3
67.56621	1.3
69.66974	1.4
71.01378	28.8
71.09151	1.7
71.09499	2.1
71.45059	1.3
72.99311	5.8
73.02943	6.1
83.01353	2.3
85.02953	23.4
87.00874	10.0
87.04510	4.3
89.02446	15.4
92.29668	1.4
95.01397	1.8
99.00869	2.6
101.02437	14.9
108.10693	1.4
112.92287	1.8
113.02440	13.6
119.03493	3.8
126.90363	1.6
129.01921	2.8
131.03488	4.4
133.05058	100.0
134.03711	4.3
134.05420	1.9
140.40579	1.5
143.03545	2.0
147.02956	1.4
149.06075	2.0
161.03448	1.5
161.04543	9.3
175.02481	5.2
179.05617	3.9
191.01915	3.1
192.00592	8.4
192.95860	5.9
193.01384	5.8
193.05045	5.5
194.95435	1.4
196.95145	4.8
197.93008	3.9
201.02515	2.2
205.06914	1.3
209.03026	5.8
213.38184	1.6
219.67403	1.5
223.96521	1.4
250.82411	1.4
253.09019	1.6
268.95013	2.3
295.13962	29.6
306.33908	1.8
354.92780	1.8
354.98050	2.3
355.06671	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	355.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.65140	1.1
61.98820	2.2
71.55130	1.3
83.05022	1.2
85.15104	1.0
93.39364	0.9
97.06586	2.2
98.75447	1.0
99.89397	1.1
100.16232	1.0
109.06588	7.1
111.04538	1.6
134.03745	28.5
135.04523	14.5
143.07112	2.3
151.11292	11.2
159.11742	1.1
164.28183	1.0
171.10011	1.1
177.12834	10.0
178.02657	3.5
178.72136	1.0
182.63396	1.0
190.86984	1.1
204.26596	1.0
219.17566	2.0
245.15416	2.3
246.17030	1.1
261.18622	3.5
263.16495	10.6
277.18124	3.5
279.19604	4.4
287.16391	1.6
293.21127	6.8
295.19125	18.2
296.19363	1.7
305.17508	3.4
319.19000	1.5
337.20197	2.2
355.15512	19.6
355.21155	49.3
355.25034	2.8
356.15668	2.4
356.21555	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1032
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
56.94249	0.4
69.39478	1.0
69.39883	2.5
77.49109	0.4
79.69717	0.5
98.20776	0.5
121.02983	1.4
132.59686	0.5
133.02951	1.5
134.03738	62.9
135.04085	2.5
137.02441	7.9
139.04044	1.9
149.06073	18.1
150.03174	0.7
150.06418	1.0
152.43896	0.5
175.03966	1.2
175.75749	0.5
178.02704	33.3
179.03046	1.7
193.05042	100.0
194.05371	5.9
216.18942	0.5
218.86977	0.4
257.06250	0.5
328.99167	0.5
355.10291	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21392	7.6
59.01378	100.0
60.01710	7.4
60.76428	7.6
61.98833	65.4
66.35810	6.2
67.43782	6.6
71.01382	25.7
71.53228	8.8
73.02995	7.7
73.72631	6.4
75.00877	28.3
76.48161	7.4
85.02952	55.2
89.02447	9.9
91.37209	6.8
93.27998	6.7
96.96031	20.6
98.93156	7.3
101.02438	13.1
113.02447	13.5
134.03703	37.2
149.06039	10.1
160.01640	12.7
175.03989	24.7
178.02725	8.9
186.99522	7.7
191.01961	17.9
192.00575	19.3
193.01414	31.0
193.05089	52.3
194.08296	8.8
208.83029	8.3
209.03011	22.6
223.10762	9.5
355.06525	19.5
355.11353	38.6
363.84241	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	355.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
57.03450	11.4
59.01379	10.5
61.98817	2.1
68.99795	0.7
71.01376	9.4
71.53539	0.8
72.99302	3.2
73.02949	3.3
75.00853	1.3
83.01387	2.3
84.02168	2.4
85.02950	100.0
86.03297	2.6
87.00867	2.4
89.02446	2.7
101.02442	3.1
102.72312	0.7
103.00373	2.1
110.34155	0.8
113.02458	2.9
115.00389	1.3
119.05030	3.7
129.01932	6.8
131.03528	1.8
133.01422	1.7
134.03717	2.6
145.02985	0.8
147.02991	9.6
149.06108	1.6
163.03999	3.2
164.71335	0.7
166.58481	0.8
170.89313	1.0
175.02444	2.7
191.00230	1.5
191.01968	26.8
191.03658	1.6
192.00652	5.2
192.02264	1.3
193.01410	3.1
193.05084	2.1
200.87158	1.0
204.16042	0.7
209.03017	37.9
210.03363	1.5
236.92612	0.7
355.06674	7.2
355.10532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.2
60.06691	0.4
61.98828	0.8
69.81849	2.7
71.01392	1.3
71.61711	0.5
73.09978	0.6
73.65908	0.5
75.00859	0.9
85.02935	0.9
93.03445	0.8
98.19920	1.0
101.02470	0.6
103.29195	0.5
106.83339	0.6
113.02489	0.8
121.02977	1.9
134.03740	100.0
135.04041	4.1
137.02446	1.1
144.81050	0.5
149.02437	16.9
149.06096	1.9
150.02771	0.8
150.05589	0.5
152.01180	1.8
160.01654	0.6
163.04033	1.4
164.04793	17.1
165.05194	0.7
169.05083	0.8
176.04811	0.5
178.02773	1.3
179.07101	5.3
193.01468	4.5
193.05048	70.6
194.05377	4.3
204.29356	0.5
208.03752	10.8
223.06110	27.7
224.06406	1.3
235.06099	0.9
268.03763	1.5
269.04596	0.8
295.08090	0.9
355.06082	0.8
355.10327	14.3
356.10672	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22560	7.3
59.01370	25.0
61.98827	100.0
74.34934	7.5
76.34172	8.2
77.31671	7.5
91.19901	7.4
98.19857	18.0
111.12368	8.2
124.91985	8.4
125.89751	9.8
186.06631	8.5
192.05904	10.6
229.55157	9.1
296.23145	9.2
354.18979	18.8
355.18610	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	354.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13445	0.5
59.01369	2.7
61.98823	1.7
69.47937	0.6
71.30839	0.6
71.55904	0.9
72.38365	0.6
78.95924	1.2
85.12335	0.5
95.85751	0.6
106.61845	0.6
110.18417	0.6
111.08121	0.6
119.32513	0.7
130.08742	100.0
131.09106	2.6
147.81226	0.6
183.01216	2.4
187.19458	0.7
197.11790	1.4
198.12184	1.2
198.69379	0.6
205.16048	2.7
225.14876	0.7
310.21246	3.7
354.18353	2.0
354.22882	9.2
355.12613	1.0
355.16705	3.0
355.19949	1.7
355.24713	2.0
369.94693	0.6
370.20859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16361	1.1
51.52467	0.9
51.86446	1.0
54.33266	0.9
57.03430	1.5
58.54271	1.2
59.01370	3.9
61.58954	1.0
69.03445	1.1
69.80157	1.1
71.15663	1.6
97.06586	1.8
109.06614	2.4
111.08157	23.1
116.06267	1.1
127.07615	2.6
130.08734	86.5
151.11279	1.4
152.99593	1.0
153.12788	1.4
169.12291	6.2
181.12323	4.3
183.01199	6.0
183.13890	2.4
191.05573	1.9
193.12331	1.6
194.92853	1.3
197.02612	1.2
197.11816	75.5
198.12134	4.8
199.13365	3.5
211.13387	22.4
212.13704	1.8
220.67813	1.1
221.60463	1.0
227.12891	1.3
247.20702	1.4
251.16512	1.2
263.20120	5.4
265.18030	1.7
273.18533	1.3
291.19644	23.8
291.22964	1.3
292.19998	2.8
309.20709	100.0
310.21005	10.4
353.19916	35.5
354.19034	2.0
354.22818	8.3
366.61423	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64334	0.5
59.01386	1.0
61.51555	0.4
62.96671	0.4
64.97014	0.5
69.88871	0.8
69.89279	1.5
79.95281	0.9
79.95734	10.3
80.96523	1.1
94.98096	1.3
95.95217	2.6
96.96006	81.3
98.13814	0.4
98.20673	0.5
122.97579	4.3
127.55865	0.5
191.05524	0.4
255.19725	0.8
284.99042	0.5
300.93057	0.4
311.25854	1.6
353.19995	100.0
354.20355	10.1
378.70956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01723	1.0
61.98832	2.0
70.04848	1.8
71.01377	5.7
73.02962	1.1
83.01362	0.8
85.02966	1.5
85.29868	0.6
89.02444	3.3
91.27888	0.8
101.02446	4.8
113.02474	2.7
119.03551	2.0
161.04527	3.4
179.05675	1.0
189.11449	0.7
191.01567	0.8
193.92606	0.7
291.14532	7.7
293.12607	0.7
351.12485	1.1
351.16714	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	351.1702
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
54.69218	0.8
56.86024	0.6
59.01382	5.1
62.18366	0.8
66.36731	0.7
67.93793	0.8
71.55637	1.3
82.13815	0.7
95.05030	6.8
96.96012	2.8
120.02110	0.7
122.00075	0.7
127.87035	1.0
128.87791	2.1
161.10777	0.8
179.14400	0.9
195.13940	6.2
223.13390	5.0
246.12218	2.0
275.20172	3.0
278.11343	11.3
279.11789	1.2
291.19904	0.8
293.21225	39.7
294.21524	3.7
314.07703	1.0
315.19302	1.8
319.23035	1.0
351.00348	2.6
351.17072	100.0
351.25607	2.4
352.17374	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	353.186
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
59.01371	3.2
69.35243	2.2
69.35656	5.3
71.05991	0.9
72.99323	1.8
83.05010	1.4
95.05032	1.4
97.06581	4.0
113.09697	1.5
125.06094	8.7
139.61841	1.0
143.07143	23.9
151.11266	14.2
183.01218	1.6
191.05634	3.1
195.10266	1.7
195.13905	9.9
227.12863	10.9
277.21725	9.3
295.22760	43.0
296.23132	4.0
317.20770	2.1
329.25809	1.0
353.18585	100.0
354.18958	9.2
359.21970	1.0
376.85544	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.6
59.01379	100.0
59.80900	1.8
61.98816	5.3
66.23921	1.6
69.21484	17.4
71.01385	25.3
71.23070	1.6
71.55349	1.6
85.02930	2.5
96.95979	1.9
101.02419	1.9
105.65166	1.8
115.00362	4.8
119.39512	1.6
133.02916	2.2
134.03722	1.6
135.04549	8.2
161.04533	1.7
178.02698	2.4
179.03543	7.6
192.95998	2.1
203.15016	1.7
219.17592	2.5
241.00200	2.1
241.37866	1.8
254.15088	1.9
263.16287	2.6
291.18036	2.3
293.74655	1.6
307.15515	2.0
351.11261	1.9
351.21964	1.8
365.09393	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	351.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57914	0.6
59.01379	100.0
60.01716	1.7
69.31308	0.5
71.01379	2.5
71.15444	0.8
73.97684	0.5
76.28478	0.4
79.28456	0.5
97.06627	0.6
101.02476	1.0
114.54523	0.4
115.00292	0.7
133.02922	0.6
135.02689	0.8
135.04604	0.7
163.75154	0.5
164.64996	0.5
177.00194	1.3
178.00966	1.0
191.10744	0.9
201.09326	1.0
203.11157	1.6
219.10336	1.7
249.04639	2.6
259.84726	0.6
263.13391	0.8
264.06973	1.3
351.10938	3.7
351.15015	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	351.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01714	0.9
69.48077	3.4
71.01385	2.0
85.02959	0.5
86.13158	0.4
87.00887	1.0
96.96062	0.5
121.02953	0.6
135.04538	0.8
181.12399	0.7
181.50876	0.6
211.13443	2.8
215.11168	1.7
219.10223	0.9
227.11162	1.5
245.12167	4.5
263.13260	1.9
344.80505	0.5
351.10947	2.6
351.15021	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	351.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89026	1.9
59.01377	83.1
61.98825	11.4
69.41447	4.6
69.41847	15.2
71.01370	29.1
72.99319	2.7
73.02927	7.4
79.95808	2.1
80.05052	8.2
83.01375	5.4
85.02943	8.3
89.02428	7.7
92.05033	17.2
94.06624	4.2
95.01375	2.7
96.96023	2.9
98.20608	4.3
101.02421	11.6
108.04523	6.4
110.06111	8.5
113.02442	6.9
119.03429	2.4
120.04538	8.6
121.86163	2.2
122.06121	31.4
124.07643	2.2
128.54761	2.2
136.04047	5.3
138.05600	29.6
139.02689	2.0
148.04047	3.8
150.05617	20.4
161.04535	5.4
166.05040	8.5
168.06638	21.3
171.10260	7.4
182.04527	3.5
189.11302	26.8
190.11601	2.4
194.04504	4.2
210.04089	12.6
212.05623	69.4
213.06061	4.4
249.11807	2.5
289.11966	2.9
291.14490	7.3
307.12830	7.5
351.11935	22.1
351.16528	100.0
351.20313	7.3
352.16864	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	349.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03793	2.8
59.01388	9.0
69.71352	19.0
83.73264	3.8
101.02473	3.2
110.47446	3.4
153.50183	3.9
274.76666	3.8
293.21198	23.2
311.22290	100.0
312.22556	8.3
313.22992	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	349.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87609	0.9
57.03443	1.6
57.36623	0.7
59.01382	100.0
60.01716	0.8
61.98822	3.4
62.62748	0.7
71.01367	2.7
71.56206	1.1
85.02938	0.9
89.02425	1.1
96.96060	0.9
99.04533	1.0
99.22303	0.8
101.02425	1.1
123.08222	1.0
135.04471	1.0
170.44296	0.9
189.51398	0.7
197.59663	0.8
226.49086	0.9
231.13789	2.0
241.00058	1.0
271.17062	5.8
287.09195	2.1
339.78558	0.8
349.20245	1.6
350.23245	2.3
368.12308	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.5
61.98829	48.1
63.99246	0.7
68.32230	0.9
69.88668	3.2
71.01376	1.6
74.16160	0.6
89.02427	1.4
98.20621	1.2
101.02434	0.9
101.85302	0.6
109.02945	1.5
120.16413	0.7
123.04523	50.7
124.04858	1.9
128.89272	0.9
153.02003	1.9
153.05573	100.0
154.05937	5.7
179.05539	1.2
192.95789	1.4
206.97433	14.8
206.99403	0.8
207.97523	3.9
208.97194	13.3
209.94916	3.8
209.97772	0.7
217.96092	0.7
219.39343	0.7
234.67905	0.7
238.38147	0.8
276.35754	0.7
313.11447	6.0
315.10843	31.0
316.11111	3.5
351.08960	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	349.1867
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01871	1.1
57.03439	1.3
58.00584	0.9
59.01380	31.3
64.17003	0.6
69.26538	1.3
69.26945	4.1
71.01011	1.0
71.01383	16.0
71.33385	0.5
71.78706	0.6
72.11854	0.5
72.99319	7.3
73.02929	0.9
73.21273	0.6
73.40051	0.6
73.50836	0.6
73.96702	0.7
74.12364	0.6
75.00858	2.0
78.66196	0.6
80.07204	0.6
82.30424	0.6
83.01357	1.2
85.02943	3.2
85.35033	0.6
87.00871	1.2
89.02447	14.4
95.01361	1.2
96.96004	0.6
99.00864	1.1
101.02441	9.5
113.02459	6.2
119.03500	6.0
120.95316	0.5
141.12854	25.9
141.13968	1.3
142.13182	1.5
169.12337	4.3
171.13863	1.5
179.05469	0.8
183.13844	1.7
183.47206	0.6
187.13390	52.8
188.13734	3.0
207.34770	0.7
229.14319	1.4
247.07907	1.9
252.16066	0.7
285.23285	0.7
349.18634	100.0
350.18976	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	349.1866
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
51.60260	0.8
53.26611	0.8
55.01875	2.5
55.34130	0.8
57.03453	2.0
59.01379	100.0
61.98826	1.5
67.75780	0.7
69.03452	0.9
70.93009	1.4
70.93468	0.6
71.01380	31.0
71.05019	1.5
72.99302	1.0
73.02948	11.1
75.00888	0.7
83.01389	5.7
85.02953	16.2
87.00887	3.2
89.02438	5.6
95.01409	2.6
96.96008	1.1
97.02986	0.8
99.00888	4.6
101.02437	26.3
111.00871	1.1
113.02450	10.7
113.09718	1.2
119.03530	0.9
121.02926	0.9
125.02460	1.1
143.03522	1.9
145.12366	7.8
147.87053	0.7
159.03040	2.0
161.04555	11.0
163.00745	0.7
169.12361	1.1
169.79370	0.8
187.13412	13.2
188.13589	0.8
191.05617	0.9
211.64218	0.7
230.25514	0.8
241.14485	1.0
263.16891	0.7
277.15533	1.3
278.64035	0.8
289.16595	4.0
307.17624	57.6
308.17773	4.6
331.17480	1.2
348.68958	1.7
349.18661	46.5
350.18961	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	349.1868
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01884	2.3
57.03451	2.9
58.00594	4.6
59.01379	100.0
60.01721	0.6
60.99353	0.4
61.98828	2.2
69.03445	0.9
69.56073	3.4
71.01382	87.4
71.05005	0.6
71.41721	0.5
72.01721	2.1
72.99308	5.8
73.02951	9.0
75.00864	1.3
81.07077	0.6
83.01385	5.6
85.02950	22.7
87.00887	4.0
87.04522	3.9
89.02444	66.5
90.02780	0.6
91.20444	0.4
92.74232	0.5
95.01397	6.5
96.96011	1.8
97.02945	0.6
98.19836	0.6
99.00876	4.4
101.02444	51.3
102.02809	1.0
113.02450	33.1
113.06081	0.6
114.02794	0.9
119.03495	26.7
120.03841	1.0
125.02458	1.6
129.01872	0.6
131.03505	2.4
136.07689	0.6
137.89830	0.5
141.09213	0.9
143.03502	5.5
149.04538	1.9
151.03972	0.9
151.11287	0.5
159.03035	2.7
161.04549	24.1
162.04903	1.0
169.08675	1.0
179.04327	0.6
179.05635	6.1
185.11827	0.9
187.09753	0.7
187.13402	12.0
188.13722	0.7
205.03419	0.8
229.14481	1.1
349.05667	0.6
349.14865	7.3
349.18677	28.9
350.15253	1.1
350.19028	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	349.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43154	0.4
59.01377	6.4
67.24300	0.4
69.28980	1.4
69.29404	1.7
71.01382	2.7
73.02929	0.8
85.02950	1.1
87.00872	0.5
87.04512	1.0
89.02446	1.0
95.05046	0.6
96.96002	1.3
97.06586	2.2
101.02467	1.0
106.23129	0.4
107.38248	0.4
113.02449	1.4
117.22079	0.4
120.22515	0.3
123.08165	9.4
124.08479	0.7
125.09720	33.2
126.10072	2.0
139.07623	1.2
143.10794	2.6
152.03542	3.3
153.01895	1.0
161.04536	0.4
169.08688	5.8
187.09746	100.0
188.10086	5.6
193.62151	0.4
201.11266	2.7
201.53780	0.4
229.10786	4.2
275.10379	0.6
349.06168	1.5
349.14822	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	349.1547
Annotation	Isostrychnine N-oxide
Peak:m/z	Relative Intensity
52.43808	1.3
54.27491	1.3
55.42241	1.5
55.80004	1.2
56.49540	1.3
59.01372	6.3
59.01659	1.1
71.01395	2.4
71.55644	2.5
80.13932	1.1
86.66372	1.6
96.22729	1.7
96.96014	3.0
101.02459	2.2
163.31523	1.5
165.12859	20.3
179.41434	1.3
182.13898	1.3
244.10800	1.8
247.20625	9.7
273.18515	4.1
291.19659	50.3
292.19971	3.9
311.22333	4.7
313.17996	2.8
331.22641	2.2
349.15485	100.0
350.15915	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	349.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01691	1.0
67.72696	0.7
70.56028	1.4
70.56397	1.4
71.01390	2.3
73.69870	0.7
85.02949	1.1
87.00932	1.0
89.02441	1.3
101.02467	1.2
102.24212	0.7
113.02395	0.7
119.02651	0.6
161.04634	0.7
186.84004	0.8
211.13394	1.7
215.11150	1.0
245.12230	2.7
263.13199	3.8
350.16299	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	349.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27316	3.1
54.70343	3.4
59.01383	31.9
61.98829	76.5
71.01386	21.4
71.52796	5.3
73.02962	4.3
85.02962	3.6
88.95425	3.9
89.02449	33.4
101.02460	19.0
113.02429	11.0
119.03484	10.2
136.24435	3.5
143.03499	4.8
146.04546	11.9
149.04552	9.9
151.06099	8.6
152.03603	3.9
152.07144	12.7
161.04477	5.7
177.72017	3.8
179.05568	20.1
206.95621	5.1
206.97437	52.7
207.97537	6.6
265.98605	3.3
313.11407	100.0
314.11816	7.0
319.91104	3.8
349.09189	63.2
350.09308	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	349.104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01788	0.4
55.01883	0.5
59.01378	21.3
68.99815	0.8
71.01384	5.2
72.99326	0.6
73.02945	0.8
78.03478	0.9
85.02933	1.9
89.02422	1.6
92.05050	1.4
94.06612	2.7
96.96001	1.0
100.04028	0.5
101.02452	2.9
104.05089	1.2
105.03413	0.6
106.06623	10.5
107.06135	0.7
108.04525	2.9
110.06131	0.9
113.02441	1.4
113.06085	0.9
115.00391	0.6
120.04538	3.0
120.08192	1.6
120.99619	1.2
121.02908	0.6
121.05325	1.0
122.06126	7.5
127.07655	1.1
130.06613	0.9
132.04521	2.0
132.08180	0.8
134.06113	1.9
135.03256	0.5
136.04044	0.6
138.05583	1.7
145.05299	0.7
146.04843	1.9
146.06023	0.8
148.02864	0.9
148.04031	2.5
148.07666	3.7
154.05101	3.3
158.06094	2.0
160.04060	1.1
160.06340	0.5
160.07674	0.7
161.04657	2.5
161.07191	1.4
163.03944	0.5
163.05190	3.4
169.12282	0.8
175.08829	0.6
176.07169	5.9
182.04695	0.5
183.28595	0.4
186.96754	0.9
187.13448	2.5
187.97537	4.7
189.06682	1.8
200.05827	0.9
201.06673	0.7
202.08884	0.7
203.08159	0.5
204.06627	4.8
212.44955	0.5
218.07014	2.7
220.09831	1.0
222.71869	0.5
225.96066	0.5
229.06195	1.9
229.09868	0.5
230.06764	1.0
231.11282	1.0
249.89650	0.5
257.09320	0.8
287.12662	0.7
305.11407	100.0
306.11749	9.9
307.17633	2.8
349.10309	12.6
349.18591	9.0
350.02930	2.5
350.10712	1.8
350.18918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22478	0.2
50.87071	0.2
54.74664	0.2
59.01378	0.7
61.98827	100.0
62.98521	0.3
63.99253	0.5
70.56670	0.2
71.52629	0.3
71.52992	0.2
76.08535	0.2
121.38364	0.2
121.82468	0.2
150.52666	0.2
162.98477	1.9
164.96429	0.2
172.53455	0.2
190.97655	0.2
203.99976	1.0
205.00107	2.1
205.99707	2.8
206.97432	72.4
207.97562	5.0
348.98633	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59763	0.3
59.01381	1.5
60.25503	0.3
61.98830	100.0
62.98531	1.2
63.99251	2.4
65.05312	0.3
71.52695	0.4
71.53117	0.4
73.26315	0.3
77.44379	0.3
78.17480	0.3
95.66551	0.3
116.10915	0.4
136.94011	0.5
141.34422	0.3
146.95169	0.5
162.98523	1.0
163.94261	0.4
169.31886	0.3
203.02365	0.5
204.00002	3.6
205.00107	10.5
205.02751	0.6
205.99725	12.9
206.97446	35.7
207.00131	2.7
207.93341	0.4
207.97528	3.1
219.86755	0.3
248.36760	0.3
277.36771	1.2
277.86493	1.9
278.36664	1.4
278.86572	0.9
309.33810	0.5
317.34744	0.6
317.84265	1.6
318.34357	0.4
318.84235	0.3
321.96576	0.4
330.84067	0.4
348.31967	1.4
348.81757	3.8
349.01471	0.5
349.31781	1.8
349.81683	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	347.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96553	0.2
55.01874	1.3
57.03444	1.1
58.00582	1.3
58.25661	0.3
59.01380	29.5
60.85601	0.3
61.98823	1.0
69.03471	0.5
71.01382	21.4
71.05028	0.3
71.54691	0.4
72.01705	0.3
72.99312	1.9
73.02946	4.1
75.00864	0.4
83.01386	3.1
85.02955	7.7
86.00079	0.7
87.00877	1.3
88.55486	0.3
89.02443	9.5
95.01382	1.4
96.95980	0.5
97.02986	0.3
97.06600	0.3
99.00883	1.6
101.02441	14.2
102.02777	0.3
103.00687	0.3
111.00866	0.5
113.02451	6.5
117.38150	0.3
119.03490	3.5
121.10210	0.3
121.88737	0.3
125.02366	0.3
131.03491	0.4
135.04539	0.3
138.79430	0.3
139.99611	0.3
141.09169	0.5
143.03491	0.6
155.10753	0.6
161.04585	0.9
167.10770	4.3
169.12300	0.6
185.11818	8.3
186.12204	0.4
199.09712	0.3
203.21025	0.3
217.80180	0.3
231.16089	0.4
329.15973	1.9
347.17090	100.0
348.17450	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	347.1709
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
56.71004	0.8
57.03423	1.8
58.00568	2.9
59.01377	100.0
60.01692	1.0
60.69070	0.7
71.01381	52.5
71.56289	1.1
72.99292	3.8
73.02940	1.8
75.53541	0.9
83.01387	2.5
85.02945	10.1
87.00860	2.8
89.02441	48.9
90.02747	1.4
95.01377	4.0
97.02945	0.8
101.02438	35.3
113.02451	19.5
113.03239	1.0
115.04076	1.0
119.03493	27.2
120.03873	0.9
126.78831	0.8
130.50650	0.9
131.03456	2.0
142.99037	3.5
143.03476	4.0
144.54106	0.8
149.04561	1.6
149.06039	1.3
161.04556	2.5
167.10767	39.4
168.11081	2.1
179.05597	4.2
185.11800	3.1
206.05788	1.1
347.17081	68.3
348.17487	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	347.171
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
54.27229	0.5
55.01869	1.3
57.03436	1.4
58.00583	1.4
59.01380	37.3
59.53383	0.4
61.98819	1.2
69.24411	3.5
71.01382	25.9
72.01712	0.5
72.99318	1.2
73.02950	3.1
83.01387	3.5
85.02952	8.1
87.00882	1.0
89.02444	12.8
95.01381	2.8
97.02927	0.5
99.00861	1.8
101.02440	15.6
101.70077	0.4
101.70835	0.7
102.82073	0.4
111.00862	0.8
113.02445	8.2
119.03510	6.1
121.10222	0.8
125.02405	0.4
132.77109	0.6
141.09317	0.5
143.03531	0.9
157.20274	0.4
159.03024	0.5
161.04555	1.5
167.10786	6.2
179.05617	0.9
185.11800	6.5
193.05121	0.5
329.16199	2.1
347.17084	100.0
348.17407	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	346.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09199	0.5
58.45234	0.6
59.01384	9.6
61.01154	0.7
69.73067	3.6
71.01385	7.4
73.02977	1.1
85.02982	1.8
85.43689	0.6
86.02472	25.7
87.02733	5.1
89.02454	2.7
89.55911	0.6
98.19965	0.8
101.02441	2.9
103.02217	4.6
105.03796	100.0
106.04132	1.8
113.02440	1.7
119.03450	1.6
124.01706	0.7
128.75124	0.6
141.07449	3.9
145.13750	0.7
149.06082	1.0
153.83575	0.6
155.10765	0.7
167.10783	2.0
179.08981	1.1
185.11725	1.0
187.48705	0.7
193.05055	2.1
194.05315	1.4
197.10043	11.1
198.10277	0.7
215.11145	4.5
254.10077	0.7
259.13718	60.3
260.14117	4.6
346.16901	60.0
347.17130	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	346.1618
Annotation	Asp Thr Leu
Peak:m/z	Relative Intensity
50.23016	0.7
56.69715	1.1
59.01370	4.5
61.98833	1.2
70.28580	2.4
71.01389	2.2
72.49395	0.8
73.04088	1.3
82.02972	2.7
82.06639	1.4
83.02509	16.1
84.00909	8.8
84.04544	1.2
88.04056	2.7
89.02406	0.9
96.00919	8.2
97.98100	0.8
98.02473	13.2
109.04070	1.0
110.02480	22.7
112.04051	3.3
113.03579	7.4
127.05128	7.9
130.08739	56.5
131.09071	1.9
138.09242	17.0
143.11913	6.6
144.74489	1.1
156.06708	1.0
161.04443	1.0
169.09833	10.6
170.19125	0.9
171.04131	3.2
177.10361	1.9
179.11891	3.0
180.05423	3.0
185.02258	1.6
187.10846	6.2
195.11349	1.6
205.09814	3.7
223.10898	11.3
224.11197	0.9
231.13533	2.5
267.09848	100.0
268.10150	8.4
284.12515	57.5
285.12778	3.0
293.11450	2.6
302.13370	1.5
310.14075	1.3
311.12482	11.8
328.15128	22.8
329.15451	1.9
346.09705	1.1
346.13156	3.3
346.16849	6.0
347.13342	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	346.0555
Annotation	Adenosine 2'-phosphate
Peak:m/z	Relative Intensity
56.39953	0.4
59.01373	1.5
59.11129	0.4
61.98827	9.4
62.96420	0.6
67.72323	0.5
69.87752	0.7
69.88157	1.3
71.01376	0.7
78.14907	0.4
78.95902	52.6
87.53348	0.4
88.04025	0.7
92.02550	0.7
96.96968	12.5
98.20591	0.4
101.02453	0.5
107.03621	2.4
120.96980	5.7
134.04726	37.1
135.05110	0.9
136.96486	0.5
144.86971	0.4
204.00055	2.6
211.00127	100.0
212.00528	2.7
284.12653	0.5
337.28824	0.5
346.05533	11.1
346.12747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.0
61.98817	2.7
69.03454	1.0
71.01381	5.4
71.55582	0.7
73.02934	1.5
85.02953	3.4
87.00877	1.0
89.02441	3.2
95.05009	1.4
96.96005	2.2
99.00863	0.8
99.85703	0.6
101.02441	3.8
106.04281	0.7
108.02144	0.9
110.06111	13.1
113.02459	1.9
115.92062	1.3
116.05022	3.3
118.06631	1.8
119.03477	1.5
120.01220	1.0
121.02956	2.0
122.03733	16.7
122.06123	15.5
123.04552	1.4
124.01635	1.5
132.04488	0.7
134.03735	44.9
135.04086	1.0
137.02470	3.7
138.01968	10.1
144.04535	12.7
149.06067	19.9
150.06445	0.9
151.06406	2.1
152.07164	100.0
153.07521	4.4
154.02713	2.6
161.04681	4.3
162.05589	10.2
163.06279	0.9
173.04866	0.8
178.02667	3.3
182.06020	0.9
184.21844	0.7
187.04036	0.8
188.03543	1.3
190.05135	0.8
191.05869	3.5
193.05042	44.1
194.05389	1.7
195.05244	1.1
197.11824	0.7
200.07260	1.4
205.91360	0.8
224.10907	1.6
225.11287	0.7
230.08203	1.6
230.11809	3.7
241.13492	1.3
242.11823	2.9
252.09053	2.6
255.11447	4.5
259.14420	1.3
260.12860	2.7
267.11426	17.5
273.12460	2.3
284.07913	0.9
285.12424	21.8
293.09445	0.9
303.13513	8.2
311.10349	5.1
329.11337	6.7
346.09177	1.2
346.12979	15.9
346.16861	1.2
347.12524	23.5
347.17117	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	346.0114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.4
60.01721	2.2
60.01973	0.3
61.98829	100.0
69.76363	1.7
69.76785	0.8
83.14921	0.4
83.49298	0.4
91.70398	0.4
131.73647	0.4
135.96112	0.5
151.34399	0.4
159.03342	0.6
160.03867	0.3
175.40100	0.4
178.42238	0.4
201.02534	2.5
202.02701	7.5
203.02295	9.0
203.99982	43.0
204.02646	2.1
205.00128	4.3
209.42010	0.4
244.08768	0.4
327.66968	0.4
346.04282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.9
60.01710	1.5
61.98826	100.0
69.86634	0.4
71.02061	0.8
73.55193	0.3
78.33160	0.4
107.06686	0.3
108.22683	0.4
158.03758	0.6
159.03290	0.7
174.93358	0.4
201.02563	3.0
202.02693	7.4
202.04469	0.6
203.02264	9.4
203.99976	45.2
204.02626	1.9
205.00105	3.6
210.54286	0.4
254.73424	0.4
276.91696	0.4
303.19635	0.3
346.00784	0.5
346.04321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.228
Annotation	oscr#20
Peak:m/z	Relative Intensity
57.03450	0.9
67.53531	0.2
69.03448	0.5
69.41415	0.7
69.41843	0.7
71.05016	0.8
72.99322	0.4
73.02940	0.4
74.26400	0.2
81.03456	0.2
83.05014	2.4
84.02174	1.2
85.02942	1.5
85.06570	0.6
95.04996	0.4
97.06538	0.3
98.20647	0.3
99.08151	3.9
109.06583	0.3
111.08161	0.9
113.09715	0.6
117.34618	0.2
123.08168	2.0
125.09720	1.7
128.74721	0.2
129.09216	0.7
137.09740	1.4
139.07657	0.3
141.09239	2.0
141.12822	0.4
149.09750	0.3
151.11302	1.4
153.12839	1.1
155.10797	0.2
161.09627	0.2
163.11279	1.4
163.38051	0.2
165.12814	0.2
168.64160	0.2
169.12299	0.6
171.13849	0.3
179.10812	0.3
181.12332	11.2
182.12627	0.8
216.86301	0.2
227.12846	3.7
245.13876	2.7
263.20050	0.3
327.21414	0.3
343.21323	0.3
345.22784	100.0
346.23145	10.9
349.18372	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2798
Annotation	5-(8Z-Heptadecenyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
59.01363	2.1
98.19758	3.5
105.73881	1.7
117.17413	1.6
121.45510	2.2
124.02421	1.7
211.05116	2.2
345.27972	100.0
346.28406	12.8
360.16235	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	345.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	14.6
62.22378	6.3
71.01415	7.2
71.05007	12.6
72.30253	6.1
78.95908	48.1
100.92240	6.6
126.79822	7.1
152.99591	86.0
161.06001	8.3
171.10207	26.0
189.05406	10.9
199.01826	8.0
209.11736	12.3
217.08612	8.9
248.10533	19.5
289.18213	15.6
290.96954	10.7
291.19620	41.0
303.15616	7.2
309.20639	100.0
310.20721	10.6
360.12701	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	345.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31073	9.8
57.31429	8.9
59.01377	15.4
69.54697	58.9
71.01385	9.3
82.53079	10.5
85.34794	8.2
99.27968	9.2
104.18697	10.0
107.04993	11.2
123.04505	19.5
124.26891	10.9
160.14616	10.5
166.36241	10.4
186.95538	12.5
191.42613	8.9
291.19678	100.0
292.20117	11.6
309.20697	99.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	8.5
61.98817	3.2
71.01390	5.4
71.55744	2.0
71.56131	2.0
78.95898	19.9
82.52772	1.7
94.79769	2.1
123.04581	3.0
136.00409	2.0
137.09679	2.7
152.99574	38.3
154.28351	2.0
171.10258	6.2
209.11862	2.3
223.13380	3.5
227.03050	2.7
244.22324	2.3
248.06830	9.6
248.10489	6.4
248.96118	2.8
273.14938	2.0
280.66919	2.0
286.73505	2.3
290.97186	6.1
291.19666	7.0
309.20697	100.0
310.21109	11.1
311.22211	6.8
345.16776	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	345.1552
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
57.03448	1.3
58.00595	1.7
59.01378	52.3
68.82269	0.8
69.03440	2.2
71.01379	30.3
71.05033	0.8
72.67522	0.8
72.99325	4.3
73.02952	0.9
83.00934	1.1
83.01395	2.6
85.02935	6.5
85.16895	0.9
87.00900	1.2
89.02441	25.5
93.67691	1.0
95.01392	2.2
98.20781	1.3
101.02448	19.4
113.02439	8.9
119.03516	11.5
121.10233	39.1
122.10542	2.3
129.09183	1.8
131.03487	1.3
137.09723	6.0
143.03487	1.4
145.08955	1.0
148.46198	0.8
161.04570	1.7
165.09200	58.3
166.09521	2.7
179.05602	1.1
183.10245	36.9
184.10582	2.3
206.10229	1.0
225.11374	1.0
243.84740	1.0
250.10739	0.9
263.42258	1.0
345.15524	100.0
345.22296	20.1
346.15878	8.4
346.23193	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	345.1553
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01868	3.3
57.03438	3.0
58.00593	1.9
59.01377	58.1
63.51233	0.9
63.66074	1.1
69.03439	1.1
69.74480	3.8
69.74905	1.8
71.01376	51.9
72.99290	2.8
73.02947	9.5
83.01376	6.7
85.02947	16.6
87.00865	2.2
89.02443	27.9
95.01392	4.0
97.02954	1.6
98.20591	1.0
99.00874	4.2
99.04568	1.0
101.02438	37.8
105.24318	1.1
108.04558	1.4
113.02450	18.6
119.03495	12.1
121.10255	5.4
125.02448	1.5
130.08720	1.4
131.03435	1.9
158.92366	1.0
159.03049	1.7
161.04572	6.5
165.09192	3.8
183.10254	2.4
231.13419	2.6
259.13303	1.0
266.42160	1.1
301.16583	2.0
345.15497	100.0
346.15833	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	345.1089
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
59.01375	4.3
61.98827	0.8
66.20818	0.6
68.03427	0.6
69.17075	1.7
69.17497	4.7
71.01379	2.5
87.00849	0.6
89.02412	1.3
95.03772	2.2
96.08160	1.2
101.02479	0.8
104.05074	1.9
106.06611	4.2
107.46938	0.6
111.04539	0.7
112.04044	0.7
119.44520	0.6
119.88587	0.6
122.06112	1.9
123.03207	0.7
124.07684	6.1
125.08012	0.6
132.04553	36.6
133.05351	19.8
134.06171	5.2
138.05577	0.6
139.61665	0.6
148.04057	2.1
150.05574	1.8
165.04306	23.9
165.05688	1.3
166.04643	1.8
176.03485	1.3
177.04269	4.5
178.05035	2.2
183.10242	1.8
186.09242	5.3
198.09151	1.2
209.03308	5.0
213.06693	3.5
214.12350	6.5
215.11862	7.4
226.07555	1.4
227.08229	1.4
229.09811	3.9
240.10289	1.4
241.09846	2.8
243.12541	1.0
257.12936	20.9
258.13367	1.5
283.10883	9.4
283.13733	1.1
301.11911	15.9
302.12067	1.3
327.09784	2.0
345.10880	100.0
346.11237	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	345.13
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02985	4.7
59.01384	3.4
60.78048	0.5
61.98818	0.7
69.03428	0.6
70.58258	1.9
71.01378	1.8
72.04547	2.8
73.02953	0.7
81.03429	0.6
81.65021	0.6
82.02953	0.6
83.01410	1.1
84.04549	1.1
85.02936	0.9
86.02490	0.9
88.04039	60.5
88.61673	0.5
89.02438	0.9
89.04403	1.4
94.02982	1.9
96.04536	1.3
98.02502	0.7
98.06103	3.5
99.00841	0.9
100.04048	6.1
101.02438	1.0
110.02480	0.7
112.04039	2.7
114.05624	3.6
114.35169	0.6
116.07171	18.1
121.02953	0.8
123.04528	2.7
124.04059	4.7
130.08731	1.0
136.04041	5.1
140.03470	1.3
142.05110	3.5
154.05060	0.9
158.04616	0.8
160.06155	15.6
161.06549	0.6
184.06178	1.6
196.08415	0.7
202.07201	4.9
267.09946	1.7
284.06210	0.7
284.12643	1.2
287.52917	0.7
303.12076	0.9
345.13016	100.0
346.13260	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	343.2851
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
56.91286	0.3
57.39711	0.4
59.01381	3.2
59.91792	0.4
71.54615	0.4
88.04025	0.5
91.81186	0.3
136.05185	0.5
141.12877	3.0
142.00456	0.4
155.14412	1.5
164.19371	0.4
171.13901	1.3
183.13980	0.9
199.13400	2.6
224.52695	0.6
229.14369	1.0
229.73259	0.4
267.23331	0.5
307.26349	1.4
323.25824	0.9
325.27472	10.7
326.27826	1.1
341.27042	4.1
342.27350	0.7
343.28503	100.0
344.28848	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	344.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32730	1.2
59.01377	30.3
61.98822	2.2
69.03458	2.1
69.52948	3.6
69.53378	4.8
71.01380	5.4
78.95856	1.3
85.02959	2.4
87.00870	1.5
89.02456	4.8
95.05037	1.6
96.96021	2.3
97.06577	1.8
99.02011	1.1
101.00658	1.4
101.02436	2.8
109.06567	1.8
113.02452	2.9
114.50256	1.3
119.03503	1.7
119.05062	2.2
120.01246	21.0
120.04510	2.5
121.02954	1.8
133.06575	2.6
135.04471	2.2
136.04858	1.5
138.05539	2.8
141.05603	1.8
141.13106	1.3
143.08644	9.6
145.06610	2.9
149.09718	20.4
161.09714	97.4
162.10046	6.1
164.03491	5.0
167.03479	1.6
179.05315	1.8
179.10771	18.2
181.08749	1.3
182.08972	1.7
183.06630	2.1
192.03812	1.1
197.06396	4.4
223.09676	2.3
239.07451	5.0
240.60045	1.1
249.22311	1.2
257.08517	32.3
258.08823	2.7
308.05463	1.2
312.80789	1.3
344.11700	100.0
345.12061	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	343.249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
59.01372	8.0
69.03456	1.7
71.01382	1.2
71.05030	0.6
71.54976	0.9
78.10686	0.7
83.05004	1.5
95.05039	1.2
96.95978	0.8
97.06611	2.4
99.08150	5.6
113.09708	0.9
115.07639	0.5
121.02972	0.9
121.10248	3.4
123.08162	2.3
125.09721	11.7
127.11288	1.9
129.09167	0.7
137.09769	2.5
139.11258	1.1
141.09213	1.2
143.10815	0.6
145.14706	0.7
151.11276	0.9
153.09178	0.8
155.10861	0.8
159.08180	1.0
165.12799	0.7
166.80870	0.6
171.10272	27.8
172.10593	1.3
175.11316	0.6
187.09795	1.2
188.04703	0.6
193.12332	13.7
194.12502	0.7
197.15462	0.9
199.09763	1.4
201.02545	2.4
201.11319	11.5
209.11790	0.8
211.13409	2.1
213.11292	1.0
215.12828	1.1
225.11317	2.1
225.14958	14.9
226.15324	0.8
228.07932	0.7
243.12347	0.9
243.15996	5.7
246.05351	0.8
271.20859	0.8
281.19104	1.7
289.18088	1.6
293.21216	3.1
299.20172	4.4
300.20248	0.7
307.19125	3.5
308.19455	0.6
313.23611	0.5
325.20291	1.3
327.54745	0.6
328.13132	0.6
343.16217	2.8
343.24878	100.0
344.25177	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2486
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
53.50619	0.6
55.45683	0.6
57.03458	1.3
58.58515	0.6
59.01372	9.0
67.01874	0.6
69.03444	1.9
71.05009	0.8
71.12799	1.3
83.05020	1.4
95.05007	1.2
97.06586	2.3
99.08167	6.5
100.34420	0.6
111.10224	0.6
119.08662	1.0
121.02920	0.7
121.10223	3.7
122.98167	0.7
123.08155	3.0
125.09723	13.3
126.10073	0.7
127.11276	2.4
135.08160	1.3
137.09694	2.9
139.11307	0.9
151.11230	0.8
155.10780	1.3
159.08101	0.7
160.08957	0.8
165.09128	1.1
171.10260	29.9
172.10596	1.5
175.11250	0.7
183.10294	0.7
187.09700	1.4
187.18144	0.7
190.28288	0.7
193.10698	0.9
193.12349	10.6
194.12680	0.7
201.02574	3.5
201.11298	11.2
211.13429	4.4
212.13622	0.6
215.12782	1.1
217.48007	0.6
225.11340	2.0
225.14931	15.8
226.15202	1.0
228.07826	0.7
243.12299	0.9
243.16023	5.4
246.05408	0.8
271.20609	0.8
281.18881	1.0
287.20023	0.8
293.21155	2.7
297.20621	0.9
299.20102	4.6
307.19183	1.7
311.21924	0.7
325.20383	1.3
343.24857	100.0
344.25204	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	343.2124
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03437	1.2
59.01361	0.8
63.69590	0.4
70.25183	1.5
71.01376	2.0
71.05029	0.6
73.02959	0.6
81.03438	0.8
83.05029	2.9
84.02164	1.6
85.02519	0.4
85.02955	2.6
85.06583	0.6
87.04523	0.6
89.45634	0.3
95.05021	1.1
97.06585	3.5
99.28972	0.4
109.06554	0.6
111.08160	1.1
121.29088	0.4
122.55079	0.4
123.07360	0.4
123.08152	1.8
125.09726	1.1
127.07602	0.4
127.11317	0.5
133.01416	0.4
135.08093	0.4
137.09698	1.4
141.09216	1.3
141.12840	0.7
151.11278	1.1
153.12819	1.2
155.10730	0.8
163.11229	1.3
171.10283	3.2
174.05586	0.5
181.12337	7.7
187.09735	0.9
191.10727	0.7
199.13367	0.5
208.78232	0.5
209.11885	2.0
211.13364	1.2
225.11403	0.6
227.12865	3.2
229.14445	1.6
237.15041	1.6
245.13881	2.0
247.12196	0.5
255.12494	0.6
307.19214	0.7
325.20212	1.1
343.21228	100.0
344.10098	0.5
344.21609	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75140	4.0
57.01710	3.9
59.01376	58.2
71.01381	100.0
71.55808	8.6
71.56477	4.1
73.02944	9.1
81.03494	4.8
83.05032	6.2
85.02956	5.0
97.02950	7.1
99.08115	4.2
100.15509	4.1
109.06578	40.9
110.08791	4.2
110.42802	3.8
111.04533	5.2
118.26059	4.6
121.02908	4.4
135.08112	7.4
142.02635	5.0
155.10760	8.3
161.09651	6.1
163.11263	20.1
165.71117	3.9
171.10262	12.4
181.12367	5.5
185.11813	4.6
199.09683	9.7
201.02542	30.1
207.10263	45.4
209.11716	6.8
215.12904	6.5
225.11223	10.2
309.26431	4.4
312.99863	5.3
343.28268	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	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71856	0.3
53.55712	0.3
57.03461	0.3
59.01377	100.0
60.01709	0.9
68.63145	0.3
69.85876	0.3
69.88816	1.8
71.01379	5.3
76.23784	0.3
85.02960	0.9
89.02448	5.5
99.00819	0.4
101.02448	2.4
113.02406	2.1
119.03501	1.9
120.99654	1.0
121.45683	0.4
143.03455	0.6
179.05644	1.2
191.09486	0.3
209.11853	0.5
215.33365	0.4
220.04131	0.3
220.29935	0.3
226.53940	0.4
258.00009	0.3
273.07324	0.4
308.07584	0.3
353.26242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60714	0.8
57.03443	2.4
58.00587	1.4
59.01381	11.5
61.98812	1.6
65.03982	1.5
69.03448	3.0
69.44211	4.5
69.44627	2.1
71.01355	1.3
71.05021	0.9
73.02941	2.7
78.95884	1.5
79.95763	1.2
83.05048	2.2
87.70866	1.0
89.02393	1.1
95.05011	2.0
96.96012	100.0
97.06596	6.8
99.08143	5.5
99.92572	2.4
113.09723	2.2
115.07686	6.1
118.89977	2.0
119.08683	3.2
119.89968	1.0
120.89698	1.5
121.06596	3.4
123.08186	4.4
125.09718	21.5
127.07670	2.0
127.11259	3.1
128.71834	1.0
129.09219	9.8
129.88521	0.9
137.09720	3.2
141.09203	10.8
143.10780	3.3
151.11325	9.1
152.99579	1.7
153.09213	1.4
155.10791	3.9
163.11319	1.3
167.10762	1.2
169.00783	0.9
171.10277	30.4
172.10570	1.9
181.12344	1.7
185.11826	6.6
187.09726	2.0
191.10764	1.1
193.12315	9.1
199.09740	2.3
201.11325	25.9
209.11819	5.7
211.13388	3.9
213.11348	4.3
215.12903	1.9
223.13409	4.2
225.11295	3.8
225.14943	10.2
227.12817	6.4
228.07770	1.3
229.14423	2.6
235.13457	4.2
243.12303	3.6
243.15903	4.6
246.05284	1.2
263.20120	0.9
289.13107	1.0
289.18115	7.2
289.84067	1.0
297.20706	2.3
297.97403	1.2
299.20203	3.8
307.19202	12.4
308.19528	1.4
325.20239	5.8
325.23560	1.2
343.15848	1.7
343.21243	2.5
343.24872	53.1
344.25232	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	343.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27351	0.6
59.01378	100.0
60.01712	1.2
71.01384	4.7
71.55354	0.7
73.02961	1.0
73.95261	0.5
85.02934	1.4
89.02457	1.2
94.06635	0.7
100.58087	0.6
101.02458	3.4
113.02466	1.7
120.01273	0.8
134.03761	0.8
135.37587	0.6
136.91972	0.6
149.92419	0.7
161.04605	2.5
164.90704	0.6
181.08664	0.6
182.83771	0.6
209.11859	0.9
225.76599	0.5
227.12854	0.7
243.12704	0.8
271.12122	1.3
283.11932	2.7
300.16174	2.1
338.39368	0.6
343.11975	1.0
343.21210	1.0
344.18677	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	343.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52137	0.7
56.71987	0.6
57.03445	0.9
58.00623	0.7
59.01378	100.0
60.01725	0.9
61.98824	1.5
69.27485	0.6
69.50390	4.2
71.01379	9.6
73.02918	0.7
83.05048	0.6
85.02944	1.5
87.00902	0.8
89.02444	6.9
91.41518	0.6
96.96025	1.3
98.20667	1.2
101.02455	2.9
102.05612	0.8
113.02464	2.2
115.00425	1.5
119.03516	2.8
119.05047	1.2
120.99636	9.9
121.02961	1.5
133.01468	0.9
135.04581	1.1
137.09747	1.9
143.03516	0.7
147.26651	0.7
150.03255	1.3
155.10820	3.2
161.04596	0.7
163.04100	0.8
171.10258	1.0
174.05629	0.9
179.05605	0.9
199.09859	2.0
247.12328	0.8
257.12280	1.3
281.04587	1.2
287.64096	0.6
299.18738	0.7
325.03824	1.0
343.11804	3.2
343.21228	5.2
344.08231	0.9
344.17877	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98829	1.0
69.03450	1.0
69.29883	7.7
71.01378	12.5
72.99303	0.8
73.02943	1.4
78.49311	0.7
79.95727	1.0
85.02940	3.2
89.02444	2.9
96.96051	1.4
98.19770	0.9
101.02448	3.4
113.02457	2.7
115.00375	2.9
115.61087	0.8
119.03489	1.8
121.03014	0.9
121.06619	6.8
133.01471	1.4
135.04538	0.8
161.04549	5.8
174.05595	2.1
179.03534	1.3
200.07152	1.2
201.02615	1.1
203.09459	2.0
218.92159	0.9
247.12047	2.4
255.54297	0.8
271.06967	1.0
283.11957	0.8
299.13315	0.9
329.65182	0.8
343.15277	1.3
343.16943	0.8
343.21259	9.0
344.15747	0.8
344.21811	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1035
Annotation	Hygrophiloside
Peak:m/z	Relative Intensity
54.29086	0.4
58.00594	0.8
58.30503	0.4
58.95530	0.5
59.01378	18.4
60.01719	0.6
61.98827	0.7
68.99809	0.4
70.84586	0.7
70.84929	0.9
71.01381	9.5
72.99316	0.8
73.02959	0.5
73.24775	0.4
80.69640	0.4
82.65759	0.5
83.01391	0.6
85.02962	2.5
89.02442	9.1
93.03458	39.9
94.03815	1.3
95.01388	1.4
96.96070	0.9
101.02447	6.1
107.05050	1.1
108.02169	11.7
109.02978	2.4
113.02458	3.0
119.03489	3.5
121.02990	3.0
123.00879	0.6
123.04509	1.5
126.80235	0.5
133.02960	0.5
134.03726	1.8
135.04524	15.8
136.04892	1.0
139.04007	1.8
149.16042	0.4
151.04059	0.8
152.01146	9.6
153.01930	5.3
162.03250	0.9
163.04002	100.0
163.25824	0.5
164.04350	5.3
179.05675	0.4
181.05060	1.0
263.79199	0.6
272.54102	0.5
285.06146	16.1
286.06467	1.5
343.01889	2.8
343.10300	18.3
344.10641	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	343.1033
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
56.15494	0.5
59.01376	13.0
69.43586	1.8
69.44009	1.5
71.01388	1.3
72.41843	0.4
81.03443	0.7
89.02461	1.5
90.33241	0.5
93.07162	0.5
95.04984	0.8
101.02463	0.7
105.20348	0.5
107.05019	2.0
109.02946	6.0
109.06600	3.9
119.03585	0.5
119.05027	4.5
121.02945	9.0
122.03711	0.6
135.04541	8.7
136.04813	2.5
137.05110	1.9
137.06081	27.2
138.06453	0.8
143.15202	0.5
163.06357	0.6
174.25858	0.5
179.03491	0.8
181.05063	100.0
182.05400	5.9
227.14674	0.6
228.02397	0.5
290.38965	0.4
300.15860	0.7
307.14117	3.2
337.13574	0.5
343.10272	14.9
344.10577	1.0
347.69070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91949	0.3
56.99482	0.3
57.03440	0.6
59.01373	2.8
59.46577	0.3
69.03454	1.6
69.94077	0.4
71.01382	1.6
71.55144	0.7
83.05016	1.9
84.02160	1.7
89.02464	0.9
95.05032	0.6
97.02955	0.4
97.06587	9.8
98.06885	0.6
99.04520	0.8
111.04517	0.5
111.08195	0.6
113.02406	0.4
119.03452	0.5
125.09714	1.3
128.96175	0.4
129.92841	0.4
136.01677	0.8
137.09692	0.6
149.13359	0.7
151.03983	0.8
151.11276	0.4
151.77385	0.4
160.05255	0.6
165.12805	1.1
167.14464	0.8
171.10252	5.3
173.06113	0.4
175.02945	0.3
175.11217	0.9
177.12825	1.1
179.05553	0.6
183.13878	2.2
189.05463	0.5
191.03105	0.4
193.12320	12.0
194.12692	0.9
199.07617	0.9
211.13376	11.3
212.13728	0.8
221.11852	2.9
225.14944	16.3
226.15295	1.0
239.12810	1.3
243.15958	7.5
253.14410	0.8
291.19626	1.6
309.20584	0.6
323.22382	1.1
335.75974	0.4
341.23294	100.0
342.23648	11.2
345.79065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88309	0.2
53.01570	0.2
53.53861	0.2
53.82608	0.2
58.21411	0.2
59.01376	79.0
60.01710	0.8
61.98816	0.2
67.32614	0.2
71.04681	0.5
82.02380	0.2
82.95424	0.2
95.02206	0.2
113.04611	0.3
115.19652	0.2
124.39978	0.2
127.90450	0.2
137.77190	0.2
150.47569	0.2
157.03548	7.1
158.03740	0.7
159.01474	2.4
178.94983	0.4
201.02536	100.0
202.02695	9.7
260.95435	0.3
343.03647	3.6
344.03836	0.7
363.63669	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.5
59.01380	1.7
69.03448	1.9
69.68381	2.0
70.01007	0.3
71.01385	0.6
81.03447	0.4
83.05026	1.8
83.59602	0.3
84.02184	2.7
89.02413	0.4
89.54166	0.3
95.05001	0.7
97.02958	0.7
97.06588	11.4
98.20621	0.6
99.04507	0.9
111.08187	0.4
119.08684	0.6
121.10198	0.5
125.09753	1.7
127.11317	0.5
130.08702	0.8
131.09047	0.3
137.09721	1.6
149.13379	0.6
150.25566	0.3
165.12865	0.9
171.10262	9.6
171.24849	0.4
172.10538	0.4
175.11249	1.1
177.12856	0.4
179.05566	0.4
183.13869	1.3
185.11818	0.8
191.10744	0.3
193.12326	14.8
194.12619	0.8
197.15570	0.8
203.10760	0.4
211.13376	4.8
221.11786	1.2
225.14949	19.8
226.15331	1.7
239.12755	0.4
243.16013	7.6
244.16245	0.9
253.14417	1.1
291.19562	1.0
305.17300	0.4
305.21094	0.5
323.22211	0.8
341.23294	100.0
342.23666	10.8
342.26868	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00574	1.8
59.01375	5.3
69.03440	0.4
71.01382	5.6
73.02941	4.2
84.02156	2.2
85.02953	1.4
89.02449	3.1
95.05032	2.2
97.02982	0.4
97.06578	2.6
100.01667	0.9
101.02435	1.4
109.02953	0.5
109.06628	0.8
109.51152	0.4
111.08197	0.6
113.02429	1.3
113.06074	0.6
113.09715	1.2
115.07644	1.4
117.19231	0.4
119.03528	1.0
121.06584	0.7
123.08160	0.7
125.06126	0.7
125.09740	1.2
127.07635	2.0
135.04549	0.5
135.08191	0.5
139.07635	1.8
141.09174	0.7
143.07144	0.6
149.04433	0.5
151.07596	0.6
151.11275	1.6
155.10779	0.5
161.04573	0.4
169.08733	2.0
171.10260	7.5
172.10657	0.6
177.12775	0.6
179.03429	0.5
179.05583	1.4
181.12383	0.5
183.13893	1.6
185.11809	1.6
195.10217	0.4
199.07642	0.7
199.13438	0.9
201.11325	1.7
207.10236	1.5
209.11824	1.1
211.63797	0.5
213.11284	1.4
223.17047	0.8
225.11255	2.1
227.12811	2.2
235.16934	1.0
237.18558	1.5
239.84813	0.5
249.18669	0.4
251.20178	1.1
253.21718	1.1
263.20157	1.5
273.18564	6.0
274.19003	0.7
279.19684	1.2
281.21231	3.6
285.36258	0.5
289.18112	1.5
291.19641	3.1
295.19366	0.6
305.17535	1.4
309.20731	4.0
323.18469	1.2
323.22321	2.0
341.23297	100.0
342.19876	0.9
342.23651	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
58.00350	0.6
58.00593	5.4
59.01380	4.1
69.03447	1.8
69.43983	1.1
69.44389	3.0
71.01368	1.6
73.02932	1.2
77.67970	0.5
81.03466	0.7
81.08932	0.5
83.05026	1.2
89.02452	1.9
95.05034	1.0
97.06574	0.6
101.02451	1.2
109.06573	2.1
110.03751	0.6
114.67799	0.5
116.92850	0.8
119.03487	0.6
119.04992	0.7
119.08638	1.9
125.09672	1.2
127.07650	5.0
127.11283	0.6
135.08104	0.7
137.09721	5.8
151.11356	0.6
155.10716	0.6
158.03859	0.5
163.11183	0.5
171.10262	13.3
172.10608	0.6
177.12817	2.0
181.12364	6.8
183.01128	0.8
183.13876	2.1
193.12370	2.0
195.13895	0.8
197.11900	2.5
197.13512	0.7
201.11299	5.1
203.10632	0.5
211.13380	10.4
212.13652	0.5
213.11563	0.6
213.14944	13.9
214.15211	1.2
221.11815	5.2
221.15486	0.8
222.12262	0.7
223.16989	0.8
231.56407	0.6
239.12811	2.7
251.16505	3.4
273.18503	1.3
291.19690	4.2
309.20749	7.6
310.21011	0.7
323.22394	1.1
341.23303	100.0
342.23648	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	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03441	0.9
59.01381	5.6
71.01391	3.7
73.02941	0.9
81.03443	0.9
85.02941	0.9
85.43712	0.7
89.02444	2.0
95.05032	1.2
96.96003	0.7
97.06579	1.2
98.03724	1.1
109.06582	2.2
113.09731	1.1
113.14954	0.7
116.48187	0.8
119.03510	1.4
119.05042	0.9
123.04504	2.5
123.08135	1.2
125.02359	0.8
125.09703	1.5
127.07644	6.4
136.08823	0.7
137.09712	1.9
139.07620	1.4
148.08919	0.8
151.11278	5.9
152.08438	0.8
153.09215	4.1
153.12807	1.3
154.09981	0.8
155.10762	1.4
163.11295	1.1
165.12820	0.8
169.12215	3.5
171.10291	1.2
174.52504	0.7
176.12155	0.8
177.12817	2.2
179.05676	0.9
183.01184	0.8
185.11876	1.0
193.12352	1.1
193.16013	0.8
195.13860	2.7
196.14165	0.8
203.14403	0.8
207.10396	1.0
209.11842	0.7
211.13255	1.0
213.11359	5.9
221.11841	1.6
229.34308	0.8
239.12869	1.2
241.13550	0.9
247.20645	7.4
248.20711	0.8
265.21683	1.3
273.18536	2.3
291.19650	100.0
292.20004	10.2
292.97375	0.7
309.20703	39.9
310.21027	5.1
325.20251	1.7
341.23294	80.5
342.23718	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	341.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89981	1.4
54.94471	1.6
57.03440	4.9
59.01373	20.6
60.79438	1.4
67.01881	1.8
69.03446	9.5
69.24795	15.3
71.01382	18.8
71.05019	28.5
80.02644	2.9
81.03458	30.9
83.05025	23.3
84.02187	2.1
85.02961	2.1
87.04524	3.2
89.02445	9.1
93.03466	3.4
95.05025	13.6
96.05399	2.0
97.02927	9.5
97.06603	5.9
97.73862	1.7
98.01869	1.6
98.03761	3.0
98.20631	4.4
99.04519	37.2
101.02460	4.0
102.05618	4.2
106.04219	2.7
107.05013	1.8
108.02190	2.0
109.02974	4.4
109.06568	12.7
110.03730	2.6
111.04508	9.6
111.08089	1.7
113.02422	3.7
115.00384	2.0
119.03532	2.0
121.06571	4.2
123.04480	2.0
123.08150	5.3
125.09725	7.0
127.07684	2.1
127.11262	3.5
133.02925	1.9
133.06580	3.3
135.04536	4.4
135.08156	3.5
137.09715	3.2
151.07632	13.2
153.09207	4.2
155.10738	2.1
165.09155	2.0
165.12711	1.6
168.53334	1.5
171.10266	46.0
172.10507	2.7
175.11273	3.0
179.03491	2.4
179.05608	4.0
183.10240	1.8
185.11873	5.8
189.12878	3.8
191.14394	4.8
193.12335	16.9
195.00211	1.7
195.13785	1.8
197.11896	2.6
199.13441	2.9
201.11308	10.6
207.10219	2.1
207.13866	3.2
209.11819	6.2
211.13458	3.4
213.72101	1.7
215.12886	2.9
223.13437	4.9
225.11385	3.3
233.11830	4.1
235.13396	42.3
236.13753	3.0
239.12885	2.4
243.17673	3.0
247.13692	1.8
249.14790	2.3
251.12946	3.5
253.14449	100.0
254.14827	6.6
265.14395	2.7
279.19550	2.0
287.16467	22.4
305.17563	19.5
306.17883	3.0
323.18640	10.8
341.10663	6.4
341.19666	48.5
342.19742	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	341.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
55.33713	0.6
57.03445	1.5
58.00591	4.3
59.01377	100.0
60.01724	0.9
69.66602	1.9
69.67007	1.7
71.01379	64.6
72.01715	1.2
72.98949	0.8
72.99297	3.6
73.02937	2.3
73.78277	0.6
83.01391	2.6
85.02946	9.4
87.00857	4.0
89.02441	81.3
90.02788	1.7
95.01385	3.7
99.00883	0.8
101.02438	31.4
113.02444	23.6
113.03255	0.8
114.02803	1.0
119.03492	30.8
120.03832	0.9
125.02455	0.8
131.03490	4.6
143.03496	7.9
149.04562	3.5
161.04533	9.9
179.05605	37.9
180.05916	1.2
193.79057	0.7
220.37877	0.7
236.06215	0.8
282.12418	0.6
341.10852	50.0
342.11057	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	341.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	30.5
70.07037	24.8
71.01379	94.8
80.02662	5.1
81.03439	9.9
83.05013	9.7
84.02155	6.1
97.02943	20.0
97.06590	23.8
97.34874	5.6
109.06590	99.3
110.03701	11.7
113.94788	5.5
121.06644	10.1
135.08150	13.0
155.10776	6.0
161.09598	5.4
163.11325	52.1
168.81174	5.6
171.10242	13.7
181.12321	20.8
199.09682	12.6
207.10231	100.0
209.11768	13.0
225.11336	20.8
349.52231	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	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50014	2.0
55.12785	1.7
55.13061	1.9
55.19064	1.7
57.03428	5.8
58.00566	1.8
59.01381	15.4
64.53784	1.9
69.03445	4.5
69.31715	17.1
71.01386	18.5
71.05015	10.6
73.02944	4.1
80.02692	2.9
81.03458	8.3
81.59353	1.9
83.05011	11.1
84.02182	10.5
85.02949	5.2
85.06579	3.0
87.04520	4.2
89.02431	7.0
95.05024	25.6
97.02961	2.3
97.06581	6.4
98.03720	7.0
98.19862	4.0
99.04534	2.9
109.06586	37.0
110.03806	2.1
110.06931	2.0
111.04489	5.7
113.02432	3.0
113.06079	26.8
121.06530	2.2
123.04550	3.1
123.07289	1.6
123.08158	13.7
125.06071	5.6
125.09729	25.0
127.07643	20.6
127.11325	12.6
133.01462	2.5
135.08153	3.9
137.09691	3.3
139.11226	3.4
141.09221	4.5
151.07619	6.9
151.11264	6.1
153.09169	2.2
155.10788	7.9
163.11227	5.1
165.09135	5.4
165.12881	3.2
167.10748	2.6
171.10240	18.8
179.03549	2.4
183.10291	3.0
185.11823	10.8
195.10220	6.6
197.11827	9.4
199.09749	12.3
199.13260	2.8
200.10104	1.9
201.11313	97.7
202.11627	3.7
209.11816	80.8
210.12183	5.3
213.11313	67.4
214.11652	4.2
219.54137	2.1
221.11829	5.4
225.11273	2.8
227.12877	11.4
233.11809	3.7
235.13336	2.5
239.12906	4.9
247.13440	2.8
249.14908	2.8
251.12891	31.1
252.13289	3.2
265.14377	4.8
287.16501	24.6
288.16962	2.1
289.04810	1.9
305.17557	30.2
306.17886	2.5
323.18610	41.6
324.18954	4.8
341.10834	7.5
341.19662	100.0
342.20163	10.0
348.33252	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	341.1085
Annotation	Sucrose
Peak:m/z	Relative Intensity
55.01877	1.1
57.02049	0.4
57.03437	2.0
58.00599	3.5
59.01378	100.0
60.01712	1.6
68.89647	0.4
69.57886	2.3
71.01379	68.4
72.01727	1.4
72.99297	3.0
73.02937	2.0
83.01394	1.7
84.36067	0.4
85.02950	9.2
86.03315	0.4
87.00878	3.5
89.02444	81.6
90.02773	1.3
95.01391	2.8
97.02954	0.6
99.00882	1.0
101.02444	32.2
102.02782	0.9
104.53003	0.4
107.03524	0.8
113.02451	26.0
114.02783	0.8
119.03501	28.2
120.03876	0.6
125.02448	0.7
131.03493	4.3
143.03499	7.8
149.04562	2.8
161.04556	10.1
167.92944	0.4
173.32237	0.4
179.05612	36.7
180.05992	1.7
281.08899	0.4
297.51059	0.4
340.31860	0.5
341.10873	47.4
342.11169	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	341.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21591	0.5
55.01871	1.4
57.03436	1.9
58.00587	4.1
59.01376	100.0
60.01711	1.7
63.87440	0.6
68.42384	0.5
69.58987	3.3
69.59347	0.5
71.01379	70.0
72.01697	1.0
72.06241	0.5
72.99305	2.4
73.02946	2.1
73.52258	0.6
78.30945	0.5
83.01381	2.2
85.02946	8.5
87.00889	4.3
88.27267	0.5
89.02440	89.4
90.02754	1.2
95.01386	3.8
98.19902	1.0
99.00909	0.6
101.02440	33.3
101.48438	0.5
102.02775	1.1
107.03504	0.9
113.02446	26.8
114.02776	0.7
119.03494	32.1
120.03809	0.8
125.02487	1.1
131.03493	5.0
134.31120	0.6
135.04486	1.3
143.03496	8.2
149.04556	3.1
150.09761	0.6
161.04549	12.3
179.05595	40.9
180.05948	1.4
200.46907	0.5
288.95554	0.7
341.10855	56.5
342.11249	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	341.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.7
59.93573	0.2
63.91167	0.2
66.12759	0.2
69.64100	1.2
71.01385	2.0
85.02977	0.3
88.40517	0.2
89.02448	1.9
89.29638	0.2
89.45889	0.2
91.05536	0.3
101.02445	1.0
107.05018	1.5
113.02439	0.8
119.03510	0.7
134.03726	2.1
135.04520	100.0
136.04843	4.5
143.03534	0.2
151.04041	0.4
158.86801	0.2
161.02357	0.3
161.04512	0.3
168.32729	0.2
179.03496	38.8
180.03851	1.6
297.09845	1.4
341.08487	5.0
342.08801	0.4
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	Sucrose
Peak:m/z	Relative Intensity
57.03453	1.7
58.00591	2.6
59.01377	100.0
60.01709	1.3
61.98840	0.9
70.07774	3.0
71.01380	69.6
72.01728	1.3
72.99312	3.1
73.02952	2.2
74.21880	0.8
80.20345	0.7
81.24136	0.8
83.01403	2.0
85.02943	8.3
87.00864	5.3
89.02441	86.7
90.02775	1.9
95.01389	3.8
97.91386	0.7
98.00683	0.7
98.19971	1.1
101.02440	33.0
101.03108	1.6
102.02753	1.5
107.03508	0.8
113.02444	28.6
119.03503	31.0
120.03864	0.8
125.02470	1.3
131.03499	4.2
135.04486	4.7
143.03479	8.7
149.04504	3.5
161.04546	11.9
170.86568	0.8
179.05602	38.9
180.05835	0.9
208.22166	0.8
341.10876	56.0
342.11398	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	339.2538
Annotation	11-deoxy-PGF1beta
Peak:m/z	Relative Intensity
59.01374	7.9
72.98059	1.6
99.08150	2.3
112.82464	1.5
113.09689	4.1
129.09207	4.9
132.90387	1.7
181.16093	1.9
183.01219	4.5
197.15347	2.5
199.13441	1.9
202.99832	2.0
209.15465	4.8
221.15430	2.6
225.14970	7.1
227.16541	4.8
230.25249	1.9
239.16579	16.2
265.14926	1.9
321.24374	13.0
335.16513	1.8
339.20209	4.6
339.25400	100.0
340.25766	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	341.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44622	0.2
59.01378	5.0
61.98828	0.8
70.46250	0.6
71.01376	2.9
73.02953	0.2
85.02954	0.6
87.00877	0.3
89.02438	3.4
91.05524	0.2
93.03454	0.3
100.13358	0.2
101.02457	1.8
107.05035	2.4
113.02421	1.3
119.03497	1.5
123.04524	0.3
123.61560	0.2
130.50505	0.2
134.03743	2.1
135.04518	100.0
135.54080	0.2
136.04848	4.4
151.03981	1.1
161.04529	0.6
177.01945	0.7
178.02373	0.4
179.03503	17.5
179.05521	1.0
180.03827	1.0
263.62418	0.2
297.09821	0.3
305.12415	0.6
341.08920	4.0
342.09238	0.7
350.95197	0.3
361.75674	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
54.86841	0.3
59.01380	6.3
61.98831	0.5
70.39329	0.7
71.01382	4.3
72.07781	0.2
72.99290	0.3
73.02948	0.3
82.27393	0.2
85.02963	0.8
87.00880	0.3
89.02450	3.8
101.02455	1.5
107.05042	2.9
113.02467	1.4
119.03486	1.1
123.04470	0.2
129.31818	0.2
131.03537	0.3
134.03752	2.5
135.04524	100.0
136.01587	0.3
136.04863	4.5
143.03500	0.5
149.06075	0.2
151.03957	1.6
161.04579	0.5
177.01936	0.4
179.03497	19.9
179.05522	1.1
180.03850	1.2
194.96661	0.3
203.14369	0.2
297.09857	0.3
305.12515	0.6
335.41513	0.2
341.08261	4.9
342.09177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2328
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
69.82209	2.3
96.23145	0.4
117.58514	0.4
142.33766	0.5
154.96725	0.5
163.11295	82.8
164.11632	4.7
276.78543	0.5
339.23285	100.0
340.23636	14.8
340.27744	0.8
340.67053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2536
Annotation	Borjatriol
Peak:m/z	Relative Intensity
59.01371	7.2
62.98808	0.9
67.84677	0.9
69.65623	6.5
69.68972	1.2
72.13299	1.1
73.97895	1.2
85.82566	1.0
92.82796	1.1
99.08160	3.8
113.09734	2.8
127.07664	1.5
129.09174	8.1
142.50981	0.9
183.01190	2.0
195.13898	1.3
197.15401	3.0
199.13391	1.3
207.13872	1.2
209.15517	7.0
211.17090	1.8
221.15474	5.2
225.14926	14.4
226.15192	1.5
227.16493	4.3
239.16519	23.1
240.16835	2.7
321.24283	17.8
322.24771	2.5
339.25366	100.0
340.25726	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	339.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41711	2.0
57.03436	6.0
59.01378	12.0
69.69002	9.9
71.01379	29.9
71.05018	5.5
72.02166	14.3
73.02937	3.4
76.61917	2.2
81.03523	2.0
81.07106	2.6
83.05034	3.3
84.02175	4.7
84.48932	2.3
85.02940	5.9
95.05028	4.4
97.06603	14.4
98.03719	5.4
99.08147	17.9
100.38512	2.0
106.25850	2.0
109.06610	4.9
111.08159	6.9
123.08157	4.7
125.06076	8.9
125.09727	100.0
126.10061	2.3
127.07650	80.7
127.12009	2.3
128.08028	3.1
135.08182	2.9
137.09775	2.4
139.07648	70.4
140.07991	3.1
141.50200	2.0
153.09241	6.5
155.10728	2.6
167.10747	13.1
171.10194	4.7
183.01186	10.7
195.13892	10.1
199.13414	20.6
239.12871	4.7
241.14423	3.4
252.13655	57.6
253.13936	7.6
268.13135	16.7
269.13867	5.0
289.18103	7.2
307.19006	5.3
321.20728	11.8
339.12756	3.7
339.16339	19.1
339.21729	19.3
340.16718	2.5
340.22134	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	339.2175
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
57.03447	1.9
59.01371	5.5
67.69253	1.5
69.54341	7.3
70.31938	1.1
73.07253	1.2
80.36083	1.1
81.03461	2.7
83.05013	1.3
84.68999	1.3
95.05035	2.4
97.02959	3.2
97.06596	2.5
98.20586	2.5
107.04996	1.2
109.06595	5.4
110.03754	1.5
111.04520	1.6
121.06569	1.3
123.04525	3.6
123.08166	5.5
125.06029	1.8
125.09716	4.8
125.31956	1.3
127.07695	1.8
137.09752	3.8
149.09695	1.8
163.11285	4.5
171.10184	1.4
177.12753	1.5
177.71716	1.2
181.12471	1.9
185.11818	4.0
191.10823	2.1
191.14494	6.6
195.13919	1.5
199.13391	5.5
207.10245	4.4
225.11234	2.1
245.19128	16.2
246.19461	2.1
271.16995	2.9
289.18100	100.0
290.18466	9.7
307.19174	30.7
308.19501	3.8
321.17325	1.8
321.20749	5.2
324.19449	5.4
339.21780	54.7
340.22055	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	339.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29660	2.7
57.03438	13.4
59.01377	13.0
69.03444	4.2
70.59388	6.1
70.59759	5.4
71.01380	11.1
83.05026	3.8
85.99603	2.7
95.05045	5.6
97.06584	19.5
111.08180	9.6
112.26947	2.8
125.09760	4.6
134.03871	2.7
149.09651	3.8
150.26421	2.8
151.11296	21.3
153.09143	3.1
153.12877	4.2
155.10638	4.2
161.09793	2.9
163.11259	7.6
165.12811	29.3
176.36348	2.8
179.10750	11.1
181.12341	46.7
191.10759	17.2
191.14348	5.6
209.11810	100.0
210.12181	7.5
211.13416	9.0
211.42059	3.0
227.12732	3.3
241.14403	3.7
245.19077	27.3
246.19365	4.3
263.20175	6.8
289.18140	27.2
290.18555	4.6
307.19174	34.6
308.19455	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46498	0.6
57.03450	0.8
59.01373	3.7
61.98863	0.8
64.57035	0.6
69.43962	0.8
69.87190	3.2
72.99316	2.7
78.95895	0.7
84.41482	0.7
97.06598	4.4
98.20693	0.9
101.93584	0.6
110.98660	0.7
112.35612	0.8
125.06080	17.7
143.07135	69.7
144.07513	3.0
149.29388	0.7
151.11282	15.9
152.11642	1.2
155.10774	1.2
167.10779	0.9
169.12334	100.0
170.12648	5.9
171.10260	2.6
183.01231	1.9
195.10272	1.2
209.11766	1.0
211.71107	0.8
213.11308	87.7
214.11650	5.0
217.10822	2.4
245.19102	3.0
289.18033	1.3
307.19156	0.9
321.20502	0.9
339.18280	14.5
339.25031	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55940	3.6
57.03447	10.2
59.01376	8.2
61.90207	3.3
70.51537	8.9
71.01369	12.2
75.55042	4.2
83.05027	5.5
86.69603	3.4
97.06618	23.6
111.08135	8.7
122.40508	3.8
125.09673	5.2
127.07639	10.8
149.09737	5.6
151.11304	19.9
153.12912	5.1
155.10724	6.5
163.11299	7.8
165.12862	29.6
167.10727	3.3
177.12823	4.1
179.10724	12.8
181.12332	34.7
191.10773	22.5
209.11824	100.0
210.12102	8.4
211.13467	5.6
212.05696	3.7
238.43217	4.4
245.18979	19.3
263.20248	5.8
279.19583	4.2
289.18073	18.6
307.19241	34.0
316.07028	4.1
339.24683	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.7
59.43449	0.2
62.27742	0.2
74.00282	0.2
81.52931	0.2
91.05524	0.3
98.20657	0.6
107.05015	0.6
117.03436	0.2
134.03740	1.9
135.04520	100.0
136.03886	0.4
136.04857	4.8
263.07050	0.3
281.08270	0.5
309.07703	1.7
323.09329	0.3
324.10086	1.0
339.12302	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	339.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87518	0.3
54.38770	0.3
59.01378	100.0
60.01714	1.2
66.02940	0.3
69.30862	2.9
71.01389	2.8
73.02950	1.0
83.01400	0.5
85.02947	1.5
85.35492	0.3
97.19312	0.3
98.89206	0.3
99.00893	0.5
101.02442	2.5
112.01309	0.3
113.02470	1.1
125.52629	0.3
134.03841	0.4
135.04532	0.7
161.04588	1.1
173.79698	0.3
174.01729	0.4
175.02734	0.5
176.03226	0.6
177.03885	0.7
224.69647	0.3
263.35574	0.3
279.14465	4.9
339.09088	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98845	0.6
70.01524	1.6
71.01378	3.5
73.02956	1.4
80.25253	0.5
85.02969	2.1
89.03964	1.2
99.00876	0.6
101.02422	4.0
105.03467	3.7
113.02440	1.1
133.02956	7.2
149.02312	1.0
161.04533	4.3
171.86801	0.7
176.01169	1.2
177.01915	85.3
178.02287	4.5
206.58012	0.5
279.14499	9.9
280.14865	0.6
339.07291	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	339.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	68.1
60.01719	1.2
71.01374	4.2
73.02941	0.8
75.28685	0.4
81.65665	0.4
85.02939	2.2
86.99841	0.4
89.02445	1.8
89.03953	2.0
92.22300	0.5
95.01428	0.6
99.00880	0.5
101.02445	4.3
102.42258	0.4
105.03455	3.2
112.13499	0.5
113.02451	2.4
119.03571	0.6
133.02953	8.5
149.02429	0.6
159.03018	0.8
160.04024	0.4
161.04552	4.9
177.01924	100.0
178.02286	4.5
199.98862	0.4
263.50345	0.5
273.01187	0.4
276.63745	0.4
279.11551	0.9
279.14511	13.9
280.14905	0.7
339.07086	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.5
59.01386	7.8
59.01629	1.4
64.55368	1.6
69.03446	6.3
71.54733	2.3
71.55117	1.8
79.96027	1.6
83.04997	1.6
97.02953	25.9
97.06588	5.8
112.25919	1.6
116.33412	1.6
119.08615	2.9
137.09665	5.5
157.09053	1.6
165.12836	2.4
170.49738	1.6
181.12343	2.0
193.15941	5.1
199.13434	17.1
209.15482	3.8
213.14972	2.0
221.15451	26.6
222.15764	1.9
233.62910	1.8
235.13477	1.5
237.14981	4.0
239.16454	6.3
249.14688	2.0
255.16000	4.5
267.16107	1.7
275.23788	3.0
301.21811	2.5
319.22757	85.4
320.22964	8.7
337.23819	100.0
338.24219	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	337.2382
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
56.66482	1.0
58.00556	1.2
59.01372	3.0
59.63237	1.1
61.81563	1.1
69.20405	11.6
73.27586	1.0
87.30126	1.6
109.06577	1.3
111.08157	34.0
112.08447	1.7
121.35172	1.1
127.07616	2.0
197.15373	6.9
207.13895	2.6
209.15489	3.5
211.16997	1.8
225.14955	100.0
226.15254	6.3
227.16548	4.0
239.16536	12.5
255.16054	2.5
291.23163	6.0
293.21249	3.4
301.21524	2.1
319.22760	21.9
320.23056	2.2
337.23849	50.8
337.27948	2.9
338.24149	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	337.2384
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
59.01376	7.0
62.23543	0.7
68.99557	1.1
69.47604	4.0
85.06589	1.0
96.95994	0.9
98.19894	1.3
110.62997	0.7
112.17979	0.8
112.98570	1.1
127.11275	0.8
127.46697	0.7
137.96980	0.8
165.12828	1.2
171.10272	18.5
238.01801	0.7
251.16466	8.9
252.16766	1.0
255.23105	0.9
256.93112	0.9
319.22726	8.0
320.23499	0.9
335.22479	1.0
337.23828	100.0
338.24146	12.5
357.13126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.2
59.65638	0.2
69.59271	1.4
81.03456	0.4
86.68385	0.2
89.03967	1.9
93.14347	0.2
95.27307	0.2
98.19910	0.4
99.86853	0.2
105.03457	3.0
116.75947	0.2
133.02957	7.7
134.03275	0.3
147.30811	0.2
148.01649	0.6
149.02426	0.9
156.43675	0.2
173.87560	0.2
176.01154	1.4
177.01921	100.0
178.02261	5.4
339.07184	8.7
340.07507	0.8
344.82434	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.238
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
59.01370	4.2
70.30135	3.2
71.05036	1.2
107.77381	1.1
111.08155	29.2
126.88168	1.3
127.07647	3.1
151.86421	1.2
177.09387	1.4
179.14397	2.3
193.25175	1.1
195.13823	1.1
197.15454	6.9
207.13837	2.3
209.15517	3.7
211.16992	1.4
221.15431	1.4
225.14951	100.0
226.15279	6.2
227.16489	4.9
239.16508	12.1
255.16068	3.0
291.23312	7.3
293.21204	3.4
301.21790	2.3
305.17798	1.6
319.19214	0.8
319.22736	22.5
320.23019	3.1
337.23822	58.0
338.24219	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	337.2381
Annotation	2,6,10,14-Phytatetraene-1,16,18,20-tetrol
Peak:m/z	Relative Intensity
52.01548	2.5
57.03452	3.2
59.01379	18.4
70.12589	4.8
70.12968	5.2
71.05040	2.4
78.95892	4.7
83.05016	2.6
90.68944	2.2
96.96024	4.5
107.05031	7.8
109.06577	3.6
115.02247	2.3
121.10236	8.9
123.04584	3.3
125.09712	3.8
127.07645	2.4
135.08154	4.5
137.06059	2.6
152.99632	5.4
153.09200	6.0
153.12837	4.2
164.73804	2.0
185.11877	4.1
185.40099	2.1
191.10796	3.3
208.24377	2.1
213.14900	12.3
225.14989	2.2
239.16518	53.5
240.16847	3.1
243.17523	5.6
247.56754	2.0
287.16513	7.0
287.75052	2.7
295.22549	3.3
305.17575	8.5
319.19073	17.3
319.22653	100.0
320.19586	3.0
320.22995	7.4
337.20181	13.3
337.24084	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	337.2384
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
55.81050	1.0
57.03447	1.8
59.01376	6.3
59.93333	0.9
67.01878	1.0
68.97282	1.2
69.03458	6.6
71.25868	1.6
71.26236	1.9
80.02669	1.0
88.68867	1.0
93.03461	1.6
96.96040	1.3
97.02944	25.1
97.06589	3.5
105.57172	1.1
106.24897	1.0
111.08160	12.1
119.08633	2.3
123.04527	1.2
127.07641	1.9
129.24193	1.0
134.12242	1.0
137.09692	6.5
181.12422	1.3
191.30037	1.3
193.15936	3.9
197.15549	1.4
199.13412	12.3
203.14375	1.3
207.13983	1.5
209.15482	6.2
211.17068	2.2
217.15828	1.2
221.15450	16.4
225.14964	30.7
226.15263	2.3
227.16664	1.9
235.13307	1.3
237.14905	4.2
239.16495	11.3
240.16858	1.1
249.14874	2.1
255.16014	6.5
275.23734	3.4
291.23282	2.5
301.21664	3.6
319.22760	100.0
320.23062	11.2
337.23822	86.0
338.24130	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01719	1.1
68.99899	0.5
69.99564	2.5
71.01379	5.7
73.02962	1.3
75.92782	0.5
76.73354	0.5
85.02971	2.4
85.06615	0.6
89.02470	1.4
101.02472	3.7
113.02460	2.4
115.07674	2.4
119.03500	0.7
125.06133	0.6
161.04532	4.0
206.61261	0.6
273.13608	0.6
277.00641	0.6
277.12915	2.8
288.52667	0.6
299.07840	0.5
311.63919	0.7
334.83170	0.6
337.15143	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10118	0.6
51.42377	0.7
59.01377	100.0
68.49640	0.7
69.54082	3.6
72.99354	0.8
95.00382	0.8
98.20647	1.1
105.84103	0.8
135.04462	1.2
136.29054	0.8
227.91225	0.9
267.70520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
67.70856	6.2
70.69820	18.9
88.98291	7.4
96.96021	6.7
219.78477	6.3
255.23216	18.2
277.21710	26.8
295.22723	27.7
337.18530	22.7
337.23566	10.0
338.18521	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	335.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04271	0.4
57.03471	0.5
59.01371	1.4
69.86863	0.4
70.37196	1.6
71.05016	5.9
76.74355	0.4
80.02666	0.5
81.03458	1.4
83.05019	1.1
92.43481	0.4
95.05025	0.8
96.96007	0.6
98.03751	0.9
98.19849	0.4
106.04231	1.0
109.06588	6.0
111.04523	5.1
111.08160	0.8
121.06589	0.6
123.08159	0.9
127.07655	1.0
135.08090	0.6
137.06058	0.8
137.09686	0.5
145.06612	2.2
149.06087	0.6
171.13916	1.6
188.32661	0.5
189.02054	0.5
192.95836	0.7
195.13858	2.6
207.13785	0.8
209.15402	0.6
223.17023	4.5
233.07822	0.5
243.17610	0.8
246.06010	0.4
263.16437	2.2
273.22269	1.3
279.19635	1.2
289.21918	0.5
299.19946	1.2
315.19690	2.3
317.21194	100.0
318.21542	10.9
335.22256	7.7
336.22595	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01686	0.7
70.32790	1.8
70.33185	1.0
71.01379	3.0
73.02961	1.1
74.23497	0.5
83.01386	0.8
85.02972	1.6
87.00901	0.8
93.03506	0.7
94.98190	0.5
98.20017	0.6
101.02424	3.4
113.02446	0.7
161.04602	0.6
175.13518	0.6
191.05667	2.3
193.33362	0.6
197.85725	0.6
215.70502	0.7
250.54489	0.6
250.97861	0.7
337.18579	4.1
338.04868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49482	1.5
59.01377	58.3
61.98832	1.5
71.54433	1.5
99.00633	11.7
100.43887	1.4
104.27347	1.5
105.80934	1.4
113.99336	3.2
116.01809	1.5
142.99593	2.6
161.98004	1.5
253.21695	100.0
254.22035	8.9
335.22025	86.4
336.22421	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	335.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	17.3
69.95852	3.4
72.85937	0.8
155.87737	0.9
214.46014	0.8
230.87486	1.0
253.21725	100.0
254.22023	9.2
322.56592	0.9
326.26874	0.9
335.22034	23.9
336.22278	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	335.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54176	0.3
59.01379	19.4
62.92585	0.4
121.59795	0.3
159.64246	0.4
183.73129	0.3
235.65160	0.4
253.21715	100.0
254.22050	9.6
335.22018	19.9
336.22202	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	335.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	8.4
59.01371	10.2
67.93465	4.7
71.01387	4.7
71.55515	4.8
73.46568	5.2
77.13652	4.1
97.06585	14.7
111.08132	10.9
141.49068	4.6
153.12920	4.5
155.10522	4.4
179.14452	37.0
181.15919	9.1
193.15993	34.9
193.25934	5.0
195.13791	5.3
207.13866	9.3
209.15462	71.9
210.15691	4.7
219.13980	6.1
237.14943	100.0
238.15251	9.8
239.16415	13.1
273.22202	12.3
291.23169	4.7
299.20181	4.5
317.21109	64.7
335.18362	8.6
335.22241	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	3.5
59.01377	3.1
59.12936	1.5
71.12395	3.5
80.02684	2.0
81.03461	2.4
83.01393	2.6
87.17200	1.5
93.03484	1.8
95.05022	2.0
96.96004	5.0
97.06633	2.4
109.06614	2.4
123.04530	3.8
137.06001	2.1
137.07010	1.7
137.09714	7.5
149.06004	3.1
153.12798	9.2
163.08182	1.7
164.08383	1.8
165.12849	4.8
180.19847	1.4
191.14388	3.9
193.16002	2.9
209.15433	8.7
213.14937	17.0
219.13913	3.6
235.13356	11.5
237.14944	83.3
237.63536	1.9
238.15254	7.0
239.16597	2.0
253.14438	5.1
273.22186	7.3
277.14407	2.4
299.20132	2.9
317.21198	100.0
318.21460	10.2
335.22275	40.5
336.22552	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	335.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03443	1.0
58.00602	0.5
59.01377	12.6
70.49565	1.5
71.01008	0.8
71.01379	12.3
72.99292	0.9
73.02944	3.3
77.64991	0.4
78.66875	0.4
80.96498	0.4
83.01370	3.2
85.02939	4.9
87.00869	1.4
89.02428	1.5
95.01371	0.8
97.02940	0.9
98.20513	0.4
99.00848	0.8
101.02441	6.6
103.53055	0.5
111.00870	1.1
113.02451	3.1
124.01682	0.6
127.11281	1.8
135.04497	1.9
155.10797	1.4
173.11819	33.8
174.12135	1.4
194.04521	0.7
201.11362	1.3
264.27505	0.4
317.16071	2.8
335.17099	100.0
336.17453	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	334.2023
Annotation	Ankorine
Peak:m/z	Relative Intensity
57.03444	8.7
57.40380	1.2
59.01365	3.5
62.82863	1.3
69.03437	1.7
71.01366	2.2
81.03474	2.7
81.12116	1.7
83.05024	20.5
85.22027	1.3
93.03462	5.6
94.06629	1.8
95.05021	3.8
96.04545	51.0
97.06577	8.1
98.65226	1.3
106.04240	21.5
107.05034	17.3
108.05355	1.5
109.06580	2.0
110.06104	3.2
112.07684	100.0
113.08005	2.5
119.05006	4.1
138.03233	4.2
146.16597	1.2
149.09679	1.7
150.09262	1.4
156.58932	1.5
159.11771	4.2
161.09729	1.7
167.10727	2.8
175.11267	3.1
177.12836	62.6
178.13142	4.6
183.08157	3.0
185.09747	3.2
195.13882	6.8
203.10760	71.6
204.11119	4.2
221.11798	43.3
223.13472	1.5
229.12288	2.2
237.14948	57.2
238.15295	5.2
239.12875	2.5
247.13382	17.3
260.67334	1.4
269.12344	1.5
272.20209	9.4
291.61478	1.6
298.18134	14.4
299.18665	2.9
316.19144	77.5
317.19519	9.5
334.20224	73.6
335.20697	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	335.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63068	0.8
57.73338	0.9
58.20045	0.7
59.01377	6.2
60.09553	0.8
60.74987	0.8
65.03382	0.8
65.12582	0.7
69.37395	7.7
70.58765	0.9
71.01377	1.8
75.73616	0.9
77.80106	0.9
80.05054	5.8
92.05064	1.9
94.06625	16.7
94.25665	1.0
99.00880	1.0
101.02428	1.1
104.05061	0.9
107.03785	1.8
108.04556	17.0
110.06104	3.6
113.02476	1.2
120.04559	9.4
122.02483	7.8
122.06096	5.1
124.04025	1.6
124.07715	7.2
133.66266	0.8
136.04066	2.4
138.05629	8.5
148.04036	6.5
149.04836	0.9
150.05585	7.5
152.07227	1.1
154.05182	1.5
166.05087	97.9
167.05469	4.6
177.80473	0.9
180.03061	0.9
182.04601	2.9
194.04524	5.9
200.09531	0.9
210.04066	100.0
211.04292	5.6
215.11964	7.0
225.10362	1.1
227.12036	1.2
273.12497	2.4
283.00650	0.9
311.77618	1.0
317.11194	6.0
335.08466	1.9
335.12506	35.0
335.16827	3.2
335.20810	1.2
336.12689	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	333.1915
Annotation	Sachaloside VI
Peak:m/z	Relative Intensity
57.03445	2.4
59.01378	83.2
66.61108	0.6
69.03458	1.4
69.65596	3.3
71.01376	7.4
71.05018	3.0
72.99297	1.0
73.02943	1.6
74.57442	0.8
78.95886	1.0
79.95746	0.6
81.03443	0.8
82.18147	0.7
83.05032	7.2
85.02950	4.0
85.06589	2.4
89.02457	3.4
91.05457	0.7
95.01423	0.7
95.05027	2.6
96.96016	1.1
97.02998	0.9
97.06607	1.9
98.19897	1.3
99.04530	0.9
101.02424	3.2
101.06079	6.8
104.03532	2.0
107.05020	1.4
109.06587	31.9
110.06953	1.0
113.02440	3.4
113.06114	1.7
115.07664	8.7
119.03484	1.4
121.06606	0.8
123.08151	1.5
125.06152	0.8
127.07649	88.7
128.08000	2.5
135.04520	9.9
136.30061	0.6
137.09706	3.0
139.07629	5.0
141.09186	1.0
145.08708	2.7
147.79002	0.7
151.07642	1.9
153.05673	0.8
155.10791	2.2
157.08763	0.8
161.04498	1.1
171.06619	78.5
172.06961	4.3
181.12318	2.1
187.67630	0.6
195.06653	1.1
204.06647	1.2
213.07643	3.0
255.16046	0.8
273.17041	2.9
296.48248	0.7
297.09814	1.6
315.18109	4.4
333.16092	3.7
333.19153	100.0
334.15472	1.1
334.19455	9.4
355.78333	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.6
57.03447	2.2
58.00592	2.1
59.01376	100.0
69.61617	1.0
70.29678	3.5
71.01379	35.6
72.99302	4.3
73.02937	8.1
78.29436	1.2
79.95720	1.3
83.01389	5.0
85.02956	14.0
87.00872	3.0
89.02441	20.2
95.01371	2.3
97.02943	1.5
98.19965	1.2
99.00894	1.6
99.04498	6.3
101.02435	29.2
107.05016	1.5
109.06577	4.8
111.45963	1.2
113.02439	14.3
119.03482	7.6
122.06134	2.8
127.07652	16.2
128.07909	1.0
130.08685	1.2
135.04515	72.2
135.35066	1.2
136.04857	4.0
143.03522	1.6
151.07631	2.6
153.09203	20.2
159.03000	1.0
161.04532	9.2
171.06618	16.8
171.10213	11.9
172.06961	1.5
227.08252	1.7
228.08917	2.2
231.12354	2.4
271.10904	12.3
289.11932	5.4
291.14523	2.2
297.09735	9.7
321.18634	1.1
333.11557	3.1
333.15518	83.2
333.19092	6.9
334.15839	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	333.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01715	1.1
63.06766	0.7
68.59795	0.7
69.36105	6.7
71.01389	1.5
77.94040	0.8
88.86568	0.7
96.96012	1.2
165.04671	0.8
213.11389	1.7
243.28210	1.0
255.12393	2.5
343.15546	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1917
Annotation	Sachaloside VI
Peak:m/z	Relative Intensity
56.86326	0.6
57.03453	3.1
59.01381	90.6
61.98839	1.7
69.03461	1.4
70.72636	1.3
71.01377	4.1
71.05031	2.7
73.02953	2.6
78.95918	0.6
81.03525	0.5
83.05030	8.8
85.02938	4.5
85.06606	2.0
89.02451	1.2
95.01424	0.8
95.05038	2.1
96.95992	0.7
97.02973	0.8
97.06625	1.1
99.04556	0.6
101.02469	2.2
101.06078	7.8
104.03545	1.5
106.83203	0.6
109.06592	18.8
113.02446	5.7
113.06096	1.3
115.07639	8.1
127.07661	16.5
135.04568	1.1
137.09732	5.2
139.07658	6.0
145.08731	1.1
151.07678	2.6
155.10835	2.7
161.65033	0.6
171.06656	14.9
181.12323	1.4
195.06593	2.3
213.07745	1.6
214.13913	0.6
273.17001	0.8
312.34268	0.8
315.18155	2.6
327.74911	0.6
333.19174	100.0
334.19553	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	333.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82876	0.6
57.03439	1.0
59.01376	22.1
59.05663	0.5
59.07991	0.5
61.74398	0.5
63.65310	0.5
66.34640	0.5
67.05505	0.7
69.03410	0.6
69.98725	0.5
70.69429	1.4
70.69759	0.6
71.01377	7.3
73.02950	2.1
83.05019	0.9
85.02953	1.8
89.02448	3.4
93.76676	0.7
95.01342	0.5
95.04955	0.6
101.02399	3.0
107.05023	1.4
107.08820	0.6
109.06582	22.7
110.06924	1.5
111.08147	1.4
113.02432	4.0
119.03468	1.2
127.07645	100.0
128.07996	3.9
135.04510	15.6
136.04858	0.8
141.09167	1.8
151.07639	2.4
153.05495	0.9
153.09167	0.9
161.04584	1.5
169.08676	0.7
171.06618	89.3
172.06976	3.3
195.06552	1.2
202.31898	0.6
213.07727	3.1
216.26860	0.6
227.58162	0.5
291.14572	0.9
297.09772	2.5
298.38333	0.6
333.11694	2.0
333.15494	2.9
333.19183	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	333.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	2.2
59.01379	85.0
61.98824	2.5
71.01381	45.0
71.01779	2.3
71.49162	1.3
72.99294	4.9
73.02933	2.6
78.95903	29.4
83.01398	2.1
85.02956	7.6
87.00880	2.5
89.02444	42.8
93.03471	1.8
95.01387	3.7
96.96958	5.9
101.02443	31.3
101.42627	0.9
102.32899	1.0
103.32298	1.0
109.06590	10.4
112.04041	2.5
113.02449	17.9
119.03500	21.6
131.03534	2.3
132.98169	1.5
143.03581	1.6
149.04489	1.2
152.99568	23.2
153.05576	5.4
161.04591	2.2
164.96286	1.1
171.00615	2.6
171.06633	3.1
174.99252	5.1
179.05603	4.2
203.03473	1.0
217.00360	1.9
224.85509	1.0
241.01195	11.0
290.97122	1.4
332.98007	3.9
333.05850	34.5
333.11871	100.0
334.12344	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	333.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09079	1.6
52.29256	1.3
59.01381	12.4
61.14707	1.2
63.81339	1.2
71.01399	6.6
78.95899	91.7
80.56689	1.6
81.29183	1.2
87.00849	1.6
87.92533	2.2
88.98811	1.6
89.02443	5.8
90.05804	1.3
96.96961	15.2
101.02434	3.9
103.91996	2.6
109.06586	1.9
113.02448	1.7
119.03481	3.1
131.03458	1.8
152.99580	80.2
171.00677	9.1
217.95284	1.9
227.10097	1.3
241.01186	38.2
242.01468	2.9
259.02231	1.5
297.11969	4.9
333.05917	100.0
333.09204	5.3
333.12399	9.6
334.06238	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	333.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03403	0.4
63.23812	0.4
69.58192	1.1
69.58613	1.3
71.01360	0.9
78.03465	0.7
80.05058	0.9
92.05055	2.5
94.02963	0.5
94.06621	4.4
103.04263	0.8
104.05050	2.9
105.03452	2.7
106.06622	12.7
107.03733	0.7
107.06971	0.5
108.04544	1.7
120.04536	5.7
121.05333	1.3
122.02432	0.7
122.06120	16.9
123.03280	2.5
123.06446	0.5
124.07661	0.9
131.03680	0.8
132.04546	8.9
134.54897	0.4
138.05606	22.8
139.05922	0.7
148.04036	1.2
150.05582	3.5
166.05058	0.9
174.12839	0.4
187.10028	0.5
189.07945	1.0
202.12332	0.5
203.09540	0.6
212.09503	0.4
213.06633	1.3
215.11818	1.4
217.07431	2.1
226.07401	0.4
228.08916	0.9
229.09846	1.0
231.08994	1.0
231.11310	1.6
241.09830	3.8
242.10201	0.5
243.11449	1.8
259.10684	0.8
271.10989	0.9
289.11926	100.0
290.12271	10.0
333.10889	11.2
334.11139	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14411	0.6
53.82646	0.6
55.01869	0.7
59.01379	5.9
61.85405	0.5
69.97582	2.6
71.01387	7.3
73.02940	2.2
80.05042	0.9
83.01377	0.7
85.02943	3.6
87.00838	0.8
89.02447	1.8
92.05051	2.2
93.03465	0.9
94.06619	3.8
96.96030	1.3
97.02962	0.7
98.20566	0.6
99.00892	0.9
101.02435	6.2
104.05062	3.5
105.03452	2.2
106.06622	12.2
107.03787	1.1
108.04562	1.6
113.02454	2.8
119.03468	0.9
120.04562	5.9
121.05359	1.0
122.02473	1.0
122.05244	0.8
122.06120	14.5
123.03253	1.9
131.03722	1.0
132.03831	0.6
132.04579	6.9
135.03294	0.8
137.02444	1.0
138.05606	23.5
139.05957	1.1
140.07118	0.8
148.04051	1.2
150.05598	2.4
152.03540	0.7
153.09079	0.6
161.04549	0.8
164.03564	0.7
166.05022	1.0
171.10242	1.0
189.07957	1.2
192.09738	0.8
213.06665	0.9
215.11870	1.2
217.07474	2.2
229.10048	0.8
231.09055	0.8
231.11401	0.6
241.09825	2.7
243.11470	3.3
271.10947	1.3
289.11923	100.0
290.12247	9.1
333.10873	11.4
333.15488	10.8
333.19223	1.3
334.11282	1.3
334.15768	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37105	0.6
59.01342	1.5
67.78853	0.7
69.03391	9.2
69.71992	4.0
71.01321	3.2
74.03182	0.9
83.01340	0.8
89.02422	0.9
90.60689	0.8
93.03437	0.7
97.02946	46.3
97.06556	1.0
98.03234	1.2
98.20657	1.5
101.02461	1.0
110.95174	0.7
111.04484	1.7
117.67879	0.8
124.75294	0.8
125.05997	2.3
127.07598	0.9
152.00954	1.4
165.12802	0.8
168.00276	1.1
178.02426	6.1
188.09126	0.7
191.03302	4.0
210.01456	6.3
219.06358	6.6
220.64343	0.7
221.70392	0.7
227.92319	0.8
233.07921	0.9
233.11555	2.0
234.08740	1.4
261.11066	46.6
262.11832	100.0
263.12219	6.6
294.10870	10.6
313.17880	1.7
331.18936	28.5
331.23636	2.0
332.19257	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	331.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99813	20.6
59.01373	63.5
61.03195	18.9
70.68661	19.5
71.01370	40.5
73.57846	20.5
78.95874	55.1
84.48569	20.8
98.20765	46.7
104.44784	21.1
113.03891	24.7
142.75941	23.6
152.99577	100.0
153.99841	23.6
188.83920	22.2
213.91473	21.9
227.03279	23.9
249.18619	62.8
280.23801	36.4
295.22736	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	333.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.5
63.47012	0.3
69.45990	0.6
69.46403	1.9
71.01384	0.4
73.44371	0.3
105.58122	0.3
124.22614	0.3
134.03757	0.9
135.04520	100.0
136.04857	4.1
180.03137	0.4
211.65820	0.4
220.19263	0.4
277.63321	0.4
297.09778	17.1
298.10110	1.5
333.10721	0.4
333.15491	0.5
333.19305	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	22.5
60.60698	8.5
70.24290	34.6
71.01389	22.6
78.95906	46.6
89.02411	15.0
93.11782	8.9
101.02467	14.7
108.74217	9.3
119.03526	10.7
126.20299	8.7
152.99567	39.2
241.01134	20.7
297.11935	69.2
333.05789	42.2
333.09515	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.5
59.01382	4.4
61.98814	0.8
64.16177	0.5
65.06623	0.5
68.12684	0.5
69.03461	0.9
71.01381	3.8
71.54369	0.6
72.00900	0.5
73.02950	0.5
74.02469	0.6
79.95732	0.8
80.02657	1.4
81.03454	1.3
83.05026	4.9
83.06705	0.5
84.02164	1.3
84.04524	0.9
85.02943	2.0
87.00879	1.2
95.01411	0.9
95.05046	1.4
96.96014	3.9
98.14970	0.5
101.02458	1.3
102.05605	27.7
106.90427	0.5
109.06596	0.7
113.02439	2.3
115.00383	0.6
116.38329	0.5
121.05404	0.6
122.06133	1.5
125.09691	0.6
130.08688	1.6
133.01416	0.6
135.08165	0.8
163.11287	3.7
165.12860	2.7
181.12431	0.8
187.03973	0.6
187.13394	1.3
189.09186	0.6
191.05592	1.3
191.10803	1.1
200.10776	1.1
202.06354	0.8
209.11815	100.0
210.12163	5.9
215.11850	0.6
227.12872	43.7
228.13182	3.0
243.11346	7.7
246.11357	0.6
250.06528	0.7
268.15573	0.6
269.09357	1.0
286.16653	2.3
287.10367	2.1
299.70627	0.5
326.77689	0.6
330.19189	2.0
331.04767	1.9
331.09003	1.1
331.17642	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	25.3
61.98818	15.4
63.92686	5.4
67.80113	4.7
69.47395	13.2
69.47818	21.5
71.01376	22.2
78.91877	6.6
79.18000	4.4
85.02934	9.2
87.00880	15.2
88.71497	4.7
89.02425	9.8
89.24849	5.3
94.02986	16.3
96.04550	9.1
96.96004	8.5
110.02489	11.1
118.99672	5.0
122.03792	4.7
123.04587	7.6
123.06422	4.8
125.02451	17.4
130.88855	8.8
130.89743	19.7
133.05066	100.0
150.05580	5.3
151.00357	18.5
151.04004	10.1
151.05946	7.9
152.03520	7.6
153.01964	4.9
159.01459	9.8
162.15085	6.5
167.03490	6.0
168.91435	10.0
169.01445	12.0
169.05209	5.6
170.91068	7.5
172.88029	15.9
172.90762	56.9
173.88556	16.4
194.92839	6.3
198.04120	11.6
233.00620	4.2
246.85168	5.7
288.85925	5.9
313.10959	7.1
330.86905	10.4
331.06967	42.8
331.11652	22.1
331.15924	7.5
337.71188	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	330.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14439	0.5
59.01377	5.8
61.98833	0.6
69.84251	0.4
71.01382	1.7
71.55275	0.7
72.17998	0.5
74.02457	0.6
80.02670	0.9
81.03460	2.0
83.05025	5.4
83.62340	0.4
84.02156	1.6
84.04552	1.0
85.02945	0.5
87.00824	0.5
89.02448	0.7
93.03445	0.4
95.05034	0.9
101.02432	1.2
102.05607	30.6
103.05961	0.9
104.03516	2.5
107.09943	0.4
113.02407	0.5
125.06082	0.7
125.09722	0.8
135.04521	0.9
135.08136	0.5
137.02422	0.5
150.81694	0.4
163.11305	3.6
165.12811	3.6
178.92084	0.4
181.12395	1.1
191.10799	0.9
209.11813	100.0
210.12183	6.8
227.12866	44.3
228.13232	2.5
268.15491	1.0
286.16629	3.6
307.67697	0.5
330.11456	1.3
330.15668	1.1
330.19131	2.2
331.13693	0.9
331.17514	0.7
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	Unknow
Peak:m/z	Relative Intensity
58.00590	0.9
59.01374	1.4
69.40648	3.9
88.11345	0.5
89.98222	0.5
100.53700	0.5
121.10214	0.6
125.09733	3.8
127.11315	7.2
137.09683	0.8
139.11307	6.5
155.10780	3.3
165.09242	1.1
171.10271	36.9
172.10599	2.1
183.10312	0.9
185.11856	1.0
199.09731	1.0
201.11328	21.6
202.11673	1.2
202.26828	0.5
213.11301	0.6
253.26208	0.6
275.20206	2.0
293.21216	1.5
311.22214	2.0
329.23325	100.0
330.23639	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98839	2.0
71.54555	1.9
71.54908	2.1
78.95898	2.6
80.75381	1.5
81.45557	1.4
152.99594	3.3
232.42072	1.7
236.10524	2.0
266.31891	1.8
329.23181	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	330.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78624	1.5
58.00584	4.0
59.01378	100.0
59.79146	1.2
60.01705	1.8
69.15960	9.2
69.16383	3.6
71.01380	52.6
72.01707	1.4
72.99295	4.7
73.02937	3.0
73.55495	1.2
83.01367	2.2
83.05014	3.9
84.02137	1.7
84.04530	1.4
85.02946	10.7
87.00875	3.1
87.22923	1.1
89.02445	51.9
95.01374	5.3
95.04969	1.8
96.96026	1.6
101.02444	27.4
102.05602	22.5
108.02151	1.8
113.02438	21.5
113.03160	2.3
119.03486	20.3
120.99601	1.9
122.03721	2.4
130.08665	3.4
131.03514	2.2
138.01988	7.9
143.03494	5.0
149.04486	1.6
151.02715	3.7
152.03508	21.4
156.06712	1.7
161.04549	5.0
163.11266	3.4
164.03574	2.0
165.12819	1.6
166.01425	6.6
168.03008	76.6
169.03296	2.9
179.05611	5.5
180.03044	2.6
183.01753	1.7
192.02985	3.8
209.11803	80.6
210.04121	12.2
210.12201	3.9
222.04076	8.0
227.12851	31.8
228.13020	1.6
240.05043	4.3
257.11386	1.9
270.06168	3.1
330.08252	99.5
331.08740	7.6
331.17456	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03453	1.2
64.43055	0.6
69.34232	1.5
69.34649	3.6
70.92611	0.5
74.91231	0.6
97.06559	0.7
99.07589	0.8
99.08128	4.0
101.09040	0.6
115.02076	0.6
125.09735	1.6
127.11313	4.3
139.11288	6.2
155.10759	0.7
157.12370	0.7
167.14389	0.8
171.10271	14.4
172.10591	1.3
183.13887	4.3
193.12302	1.5
199.13570	0.6
209.11864	0.9
211.13393	25.5
212.13686	1.8
229.14464	12.9
230.14859	0.7
258.53220	0.5
293.21243	0.7
311.22302	0.8
329.23318	100.0
330.23700	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	329.233
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03459	0.5
58.00589	1.3
59.01371	1.1
60.15796	0.3
69.97211	1.6
73.02939	0.5
83.04996	0.5
114.99145	0.4
118.95168	0.4
121.10258	0.4
123.08177	0.5
123.33776	0.5
125.09711	6.3
127.11292	10.6
137.09712	1.3
139.11284	7.5
143.10771	0.7
153.09193	0.6
155.10789	4.6
157.12305	0.8
165.09187	2.0
171.10266	35.4
172.10663	2.1
183.10263	1.1
185.11816	0.5
199.09737	2.0
201.11322	35.0
202.11670	1.9
275.20102	1.6
279.61606	0.4
293.21274	2.7
311.22235	2.6
329.23309	100.0
330.23645	11.1
330.27576	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.124
Annotation	Bartsioside
Peak:m/z	Relative Intensity
59.01375	100.0
60.01707	0.8
67.70817	0.6
69.05457	0.6
71.01380	5.5
73.02943	1.6
73.45690	0.6
83.01385	0.9
83.05035	1.0
85.02962	2.0
87.00915	0.7
89.02445	0.7
96.96005	0.6
97.54115	0.6
98.20636	2.5
99.00874	0.8
101.02428	3.2
102.05640	2.6
105.32137	0.6
107.05064	0.7
113.02453	1.4
119.05057	0.9
123.04533	0.8
130.08728	1.8
145.33664	0.7
157.46712	0.6
161.04529	4.1
167.03439	0.8
183.10161	0.7
183.27885	0.6
209.11823	13.7
226.05069	1.1
227.05920	0.9
227.12874	6.6
228.05084	1.0
228.06776	2.3
240.05359	0.7
243.07697	1.2
256.06143	1.2
256.09909	0.9
257.06863	1.1
258.06378	2.9
260.19873	0.6
267.07806	1.4
269.10272	4.8
273.08798	4.6
283.10849	2.2
286.10834	1.4
295.07233	1.1
299.10449	1.9
301.11981	1.0
311.10489	1.8
329.11514	20.6
330.11783	1.2
330.20297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	80.9
69.40533	50.9
69.40948	19.8
76.24181	8.6
78.95908	59.3
83.02341	8.3
83.77164	9.7
93.82413	8.4
135.36433	9.8
152.99603	100.0
233.11511	19.3
233.53746	11.4
277.21674	41.4
293.18109	16.6
293.21194	72.0
329.17099	15.5
329.23264	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	329.1142
Annotation	Miraxanthin-III
Peak:m/z	Relative Intensity
51.31046	0.7
51.75701	0.6
54.63080	0.6
59.01379	3.9
69.89177	3.9
79.46571	0.7
82.02979	8.2
106.06619	6.4
108.04549	2.0
110.02485	1.7
122.06115	1.8
132.04550	25.3
133.05415	4.3
133.06218	0.7
134.06119	34.5
136.04001	2.5
148.04008	1.1
149.04825	3.4
151.03983	1.4
160.04030	17.7
161.04816	33.5
162.05597	79.7
163.05933	3.2
176.03506	2.3
193.03790	45.3
193.12155	0.7
194.04298	2.5
206.04419	0.8
212.07191	5.8
213.08008	2.0
214.08778	5.0
226.08728	1.9
240.10085	0.8
241.06172	7.2
242.06470	0.8
242.11810	4.0
243.11401	4.7
254.06952	0.7
255.07794	1.6
257.09286	9.0
257.11893	1.1
258.09695	0.8
268.09735	2.5
269.09262	6.4
269.19165	0.8
285.12430	67.3
286.12747	5.2
301.83054	0.8
311.10318	8.9
312.10626	1.3
324.59036	0.7
329.11386	100.0
330.11728	11.7
333.64389	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01374	0.6
66.31760	0.4
67.87955	0.4
70.99380	0.8
71.01371	0.6
73.02959	0.4
80.75457	0.3
81.74977	0.4
83.68015	0.4
85.02948	0.7
89.88409	0.4
108.02170	52.0
109.02499	1.3
123.04525	24.7
124.04861	0.9
152.01141	38.5
153.01453	1.3
167.03487	100.0
168.03813	4.1
184.00992	0.4
329.08829	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.88854	0.3
58.95940	0.2
59.01378	7.9
71.01382	3.9
71.52418	0.4
72.99298	0.4
78.10593	0.2
83.90631	0.3
85.02959	0.8
89.02444	4.1
89.04707	0.3
90.25340	0.3
93.03452	1.1
95.01364	0.5
95.05015	1.1
95.28240	0.3
96.96015	1.0
99.24306	0.3
101.02427	1.7
101.91740	0.3
113.02457	1.4
119.03507	1.4
122.03737	0.8
123.04520	100.0
124.04842	4.1
124.74108	0.3
150.05603	0.4
156.49136	0.3
167.03490	10.1
168.03874	0.3
207.76311	0.3
293.12384	3.1
329.05283	0.5
329.08768	5.1
330.09085	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	35.4
61.98843	1.1
71.01382	18.6
71.55202	1.4
72.99277	1.2
73.02949	1.3
78.70448	0.9
79.95720	1.7
85.02952	2.7
87.00841	2.6
88.04055	1.4
89.02442	17.4
95.01405	1.4
95.05014	1.2
96.96007	100.0
99.05591	1.2
101.02430	9.7
108.02163	5.6
109.02943	3.4
113.02465	7.2
119.03501	7.7
121.03001	1.2
123.00865	3.8
123.04518	51.5
124.04855	1.8
130.08690	1.2
131.07094	2.7
138.03195	2.1
142.58713	1.2
149.02348	1.4
152.01149	15.3
152.04861	1.5
153.05559	2.3
167.03488	33.3
167.07127	2.3
168.03830	1.5
179.03445	1.2
197.01195	1.3
197.04544	6.9
199.02737	2.0
200.35866	1.1
209.04495	2.0
223.02939	1.6
231.08733	2.4
237.04398	12.4
239.02327	1.5
241.07124	1.6
257.03458	6.0
269.03430	2.6
285.06137	1.4
287.04462	2.0
293.12396	44.0
294.12805	2.1
299.04401	5.4
312.15607	1.2
329.05438	18.2
329.08783	18.5
330.05429	1.6
330.16495	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08100	0.4
55.04828	0.5
57.61988	0.6
58.99595	2.4
59.01374	3.8
61.98822	0.6
71.01368	0.8
79.95758	1.8
87.00872	1.1
96.96010	100.0
100.59086	0.5
101.02481	0.7
109.02843	0.5
113.09715	1.4
120.99662	5.2
121.02946	3.9
122.03754	1.5
123.00891	0.9
124.01680	0.8
131.05026	0.8
136.01689	1.1
136.05330	0.6
137.02441	1.7
143.05019	0.9
143.09019	1.0
145.06587	0.6
146.03725	0.6
147.04474	3.1
149.02463	1.7
149.06056	0.7
150.03232	5.1
151.03969	0.8
158.03722	4.4
159.04520	13.5
159.08516	2.2
160.05293	29.7
161.06096	12.1
161.10054	68.4
162.06454	0.6
162.10390	3.1
163.04007	5.2
164.04781	4.8
173.06041	3.5
175.07632	21.4
176.08020	1.1
177.05556	6.4
178.06331	5.5
179.09030	0.8
193.08681	2.0
196.99710	0.5
207.06960	0.8
223.11546	0.6
241.05777	1.5
241.12601	0.7
249.11638	38.6
250.11934	2.7
258.77322	0.5
267.07321	2.1
285.08633	1.2
308.80978	0.5
311.12939	0.6
314.11725	0.8
329.07361	70.9
329.13773	39.1
330.07785	4.2
330.14233	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	327.2176
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
56.35540	0.5
59.01381	0.9
69.30422	2.6
69.30829	1.0
71.01376	1.6
71.05023	1.3
73.02944	21.9
75.19822	0.5
91.36785	0.4
96.07517	0.4
97.06611	0.5
98.20712	0.9
111.08165	1.5
119.08688	0.5
121.06701	0.6
128.78185	0.4
137.09737	1.3
171.10239	5.2
181.12361	0.6
225.18614	1.3
233.45471	0.5
235.17061	1.3
236.30116	0.5
237.18591	1.9
243.12364	0.9
247.17026	0.8
247.20848	0.5
253.18082	14.3
254.18378	1.4
265.18021	3.5
273.18698	2.7
274.18872	0.7
281.21121	0.8
283.19125	5.4
289.18008	0.7
291.19400	1.8
309.20743	5.3
327.21747	100.0
328.22076	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	327.2904
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
51.57353	0.7
59.01382	100.0
60.05457	0.7
70.09759	2.6
77.49139	0.8
98.19978	1.0
129.88528	0.8
185.00716	1.0
327.18216	2.5
327.29037	87.0
328.29379	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	329.0211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56146	0.6
59.01374	46.0
71.01382	1.0
71.49584	0.8
74.99390	1.0
81.07214	0.6
87.00892	0.7
106.30164	0.6
115.02493	2.0
117.00423	7.7
125.00931	0.8
126.98873	0.9
136.47763	0.7
141.16457	0.7
143.02032	3.1
157.03445	0.8
159.01485	60.5
160.01617	4.8
168.99892	2.3
170.97838	10.3
171.01442	0.7
187.00966	100.0
188.00601	10.6
201.02548	14.3
202.02669	1.5
232.98262	1.7
274.99374	4.6
328.96866	2.8
329.01971	2.4
330.02151	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.8
59.01368	1.5
69.03454	4.4
69.63518	4.4
83.05060	1.0
85.02932	1.3
97.06592	0.9
98.20599	1.5
108.05822	1.1
119.08659	6.5
125.09709	2.9
127.11293	3.0
135.08124	2.2
137.09718	23.6
138.10059	1.0
155.10733	1.3
171.10260	100.0
172.10591	5.4
185.11792	1.2
197.11819	3.3
199.88611	0.8
201.11322	19.9
211.13483	1.4
213.11301	3.6
219.42564	0.9
221.11638	0.7
229.14421	1.1
273.18680	0.9
291.19623	2.8
309.20682	7.0
310.20978	0.9
327.21735	61.7
328.22061	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	327.2174
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
50.98496	0.4
57.03450	1.0
58.19995	0.5
59.01369	1.7
60.30398	0.5
69.03456	5.6
70.29297	1.0
70.29690	1.2
76.64156	0.5
85.02953	0.5
93.03426	0.5
108.05801	1.8
111.08084	0.7
119.08664	8.4
125.09695	3.7
127.11307	3.2
135.08153	1.9
137.09723	27.4
138.10033	1.5
155.10710	0.6
171.10268	100.0
172.10626	4.2
185.11856	1.0
197.11847	1.3
199.09721	0.6
201.11317	20.4
202.11688	1.5
211.13469	0.9
213.11328	3.0
239.16579	0.6
273.18634	2.0
273.21674	0.5
291.19681	3.9
309.20703	11.6
310.20740	0.6
327.21750	66.3
328.22086	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	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.6
61.14605	0.5
64.33604	0.7
69.03454	1.1
69.63002	2.3
69.63426	1.8
83.05008	0.7
85.02953	7.3
95.05038	0.9
97.02942	1.1
97.06596	3.7
125.09693	1.1
127.11259	1.5
137.09700	1.6
148.47258	0.6
152.96719	0.6
155.14389	0.7
157.91541	0.5
167.10782	0.6
167.14441	0.8
171.10265	18.6
172.10567	1.1
177.12839	1.0
183.13916	2.9
185.11736	1.6
193.12326	1.3
197.11839	0.9
200.67165	0.6
209.11847	1.3
211.11473	1.2
211.13400	19.5
212.13742	1.7
218.90962	0.6
221.11842	2.7
229.14444	12.2
230.14870	1.4
239.12848	1.8
273.18820	0.7
291.19656	2.7
309.20697	1.1
327.21741	100.0
328.22070	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
50.26590	0.6
57.03453	6.0
58.00586	0.7
59.01366	0.9
68.38197	0.6
69.72672	3.1
71.01394	0.8
74.42135	0.7
75.38844	0.6
77.59171	0.7
83.05013	1.0
85.02924	1.8
85.06580	0.7
87.04554	1.0
88.02452	0.7
95.99821	0.6
97.06586	1.6
98.03687	0.7
98.19959	0.9
113.09723	16.4
123.08170	1.0
124.81745	0.7
125.06021	0.9
125.09740	9.0
127.11307	8.8
137.09700	1.6
139.11267	1.7
141.09183	1.8
143.10706	0.9
151.11273	2.9
153.09187	1.1
155.10837	3.8
165.09174	2.9
169.12399	1.0
171.10274	9.0
183.10223	2.0
185.11888	1.1
195.10281	4.1
199.09770	2.0
201.11316	61.3
202.11671	2.4
211.13405	1.9
213.11313	36.3
214.11661	1.5
227.12849	1.1
229.14505	1.1
247.20828	0.8
265.96951	0.7
291.19675	5.7
309.20700	12.2
310.20993	1.6
313.29086	0.7
327.21750	100.0
328.22037	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	327.1083
Annotation	Paeonoside
Peak:m/z	Relative Intensity
55.06918	0.8
59.01377	37.1
61.98856	1.3
69.52904	4.9
71.01376	19.6
72.99321	3.2
73.02962	1.0
83.01404	1.8
85.02959	3.7
89.02444	18.8
95.01392	1.6
96.95991	1.7
98.20609	1.8
99.00861	1.0
101.02429	11.3
103.05537	3.6
113.02460	6.8
117.37010	1.0
119.03512	9.9
119.05015	9.6
138.40491	0.7
147.04510	100.0
148.04875	4.1
158.31757	0.8
163.04013	2.4
165.05545	15.2
184.99319	0.9
237.09415	1.6
251.46957	0.8
283.09766	2.7
308.42914	0.8
327.10934	71.4
328.11346	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	327.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.9
69.35033	1.2
69.35452	1.2
71.01392	0.3
73.01241	0.3
73.51070	0.3
80.39848	0.3
98.19899	0.6
109.02972	0.3
112.57268	0.3
120.99650	100.0
122.00088	1.4
151.11281	2.1
195.08482	1.1
205.12421	0.3
223.13387	0.4
235.16312	0.3
239.11092	4.1
267.10846	0.3
283.13483	0.5
283.19238	0.4
291.19498	0.3
318.47006	0.3
325.45334	0.3
327.08759	0.6
327.12640	7.5
327.16034	1.2
327.21671	3.0
328.12949	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83776	0.5
55.01852	1.0
57.03450	3.4
62.67160	0.6
65.94561	0.7
69.03458	2.8
69.63251	4.2
71.01378	1.2
83.05036	0.7
85.02951	11.8
95.05060	1.2
97.02967	0.7
97.06574	5.3
98.19935	1.4
119.08713	0.8
125.09713	1.2
127.11219	1.3
137.09715	2.6
155.10809	0.7
171.10271	24.8
177.12921	0.8
183.13882	4.5
185.11839	0.9
190.13779	0.7
193.12297	1.3
203.10889	0.6
209.11867	0.8
211.13397	15.1
212.13759	1.1
221.11865	2.1
229.12254	1.0
229.14432	8.6
239.12863	1.0
291.19601	3.0
309.20901	1.1
327.21750	100.0
328.22076	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	327.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	0.7
59.01377	26.9
69.03447	0.6
70.39036	0.7
70.39381	1.2
71.01381	12.7
71.11394	0.5
72.99309	1.1
73.02936	0.7
77.32320	0.6
81.07075	0.5
83.01386	0.7
85.02952	2.8
87.00906	0.9
89.02440	13.8
93.03473	1.3
95.01404	0.9
96.96019	1.1
97.02963	0.8
99.00851	0.9
101.02445	9.5
108.02162	0.6
113.02463	4.7
119.03563	6.1
119.05022	17.2
120.05369	5.7
121.02964	1.1
121.05635	3.5
121.06550	1.1
122.03749	2.2
123.04520	1.1
131.36707	0.6
135.04584	0.6
143.03534	0.8
147.04520	100.0
148.04883	5.8
161.04605	0.8
161.48686	0.6
163.04008	11.0
164.04330	4.6
165.01939	1.8
165.04466	4.6
165.05573	17.6
172.44029	0.6
178.26196	0.5
179.05594	1.3
193.88165	0.5
195.00667	0.5
207.03029	0.6
215.18990	0.6
219.06664	1.1
283.09741	1.5
303.64127	0.7
327.08490	2.1
327.11374	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0873
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
68.44111	0.6
69.59489	3.7
71.01383	0.6
73.97024	0.6
74.40833	0.5
93.03457	25.3
94.03786	0.6
96.25935	0.5
96.99323	5.3
106.04227	0.6
114.76190	0.5
117.03458	2.1
119.05030	21.8
120.05370	0.7
123.04514	2.2
130.04227	1.1
131.05035	5.7
132.05748	0.7
133.02954	5.1
137.02483	0.8
143.05029	20.6
144.05379	0.9
145.02975	3.4
145.06563	1.3
154.39760	0.6
159.04581	0.7
163.04002	10.2
170.22345	0.6
171.04518	2.0
211.07642	5.9
219.08141	1.3
221.09665	1.1
222.06912	0.7
223.07480	1.4
235.07562	3.3
236.08145	1.1
236.45703	0.5
237.09198	6.5
238.09680	1.0
239.10677	0.8
265.08679	20.4
266.09030	1.2
281.08237	0.8
283.09729	2.9
309.07700	5.2
323.59564	0.6
326.73318	0.6
327.08719	100.0
328.09070	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	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81308	1.5
56.44614	1.4
59.01100	2.4
59.01375	24.3
60.06216	1.5
67.01891	2.0
69.50406	10.4
71.01003	2.3
71.01377	23.4
72.99307	2.2
73.02924	2.0
75.00882	3.6
75.05254	1.5
79.79861	1.5
81.03447	7.7
85.02937	2.5
89.02443	4.3
101.02442	5.1
113.02443	2.3
115.00375	16.4
119.03476	1.9
119.05019	3.1
121.02984	1.9
123.04517	15.1
129.01985	1.6
133.01428	12.5
134.03723	13.6
135.02963	4.6
136.00603	2.6
136.01654	50.0
149.06076	9.5
151.03996	97.2
152.04353	3.8
152.91643	1.5
159.48991	1.4
161.04526	2.6
163.03967	1.6
167.03412	5.8
181.04907	1.8
211.02707	3.7
211.06097	100.0
212.06383	5.8
226.65358	1.4
240.56879	1.4
262.39105	1.4
267.10980	2.3
291.10818	3.0
303.65320	1.7
318.53281	1.5
327.09171	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	326.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46284	2.4
59.01382	24.6
60.01707	5.2
61.01794	2.6
61.98833	100.0
71.01382	11.4
75.00867	9.2
78.95934	3.6
85.02944	3.4
87.00880	3.6
94.58182	2.5
96.69942	2.8
101.02448	4.1
113.02477	3.2
121.02888	3.7
123.04503	2.7
126.90383	11.2
132.03046	3.3
133.01399	3.3
134.03777	6.1
134.04704	29.9
135.04567	3.8
136.01653	5.5
143.04625	3.2
146.02487	36.2
149.02434	17.2
149.06102	4.8
150.03229	19.8
151.04025	16.3
162.05600	7.6
164.03427	4.1
164.04765	7.1
164.07114	7.4
165.05569	28.1
168.91426	41.4
177.03391	6.4
211.06088	18.0
267.10837	6.2
290.04877	3.2
327.08450	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	325.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42816	0.5
59.01359	2.3
64.23988	0.5
69.23886	1.5
69.24292	3.5
71.01385	0.6
77.73885	0.6
125.09746	0.7
127.11298	0.7
139.11276	1.2
151.11320	1.4
153.12880	0.5
167.10786	1.1
171.10289	1.1
177.12892	0.7
183.01213	4.9
195.13907	0.7
197.02779	2.2
197.11833	0.8
199.13457	0.8
213.14806	0.6
221.37563	0.6
225.15045	1.1
249.22310	0.7
265.21704	1.3
275.20053	1.3
293.21225	12.7
294.21545	0.9
307.19278	1.2
307.22830	1.7
309.20654	0.6
310.21457	2.9
325.18365	11.2
325.23819	100.0
326.18484	0.7
326.24185	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	325.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06451	0.5
57.03436	2.2
58.74822	0.7
58.75824	0.6
59.01384	4.3
61.83692	0.6
69.03453	1.4
71.01376	1.2
71.05010	2.0
73.02921	0.8
78.51274	0.6
81.03459	1.6
83.05031	1.7
97.06573	1.2
98.20672	1.1
99.08187	1.0
109.06575	2.2
111.08145	2.1
113.09729	9.2
113.53707	0.6
115.07641	1.9
119.08632	0.8
125.09705	1.0
127.07689	0.8
135.08156	1.1
137.09724	14.1
139.11249	2.1
141.09177	0.8
151.11301	5.3
153.09174	1.0
155.10773	1.7
161.01118	0.7
163.11255	1.0
165.12828	0.8
167.10786	1.5
169.12325	0.6
171.10248	1.3
171.13916	1.5
177.12816	0.9
179.10739	1.4
183.01144	0.6
193.12285	3.8
195.13898	3.1
197.11749	0.8
199.13411	1.9
201.11464	0.6
209.11848	1.9
225.11356	0.8
225.14922	7.3
227.12871	2.5
229.14644	1.3
237.74167	0.6
243.69070	0.6
249.22163	1.2
275.20169	4.5
291.19629	0.8
293.21228	26.0
294.21542	2.0
295.22714	0.7
307.19156	2.4
307.22775	9.8
325.20428	4.7
325.23825	100.0
326.24219	10.2
342.06369	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92925	0.6
57.03445	1.0
58.78789	0.6
59.01382	3.4
67.58456	0.5
69.66882	2.4
69.67293	1.4
71.01376	0.9
71.05011	1.5
71.57172	0.6
78.92336	0.5
79.95802	0.6
97.06617	0.9
98.19965	0.6
99.08135	0.8
101.02436	0.6
111.08141	0.8
113.09702	0.9
123.08138	0.6
125.09686	3.1
127.11270	0.8
139.11292	4.3
153.09209	1.3
154.09940	1.3
163.11292	2.3
163.94867	0.6
165.12868	0.9
167.10857	2.8
167.14355	0.8
171.10222	1.1
177.12851	3.8
181.12315	1.4
183.01254	1.6
193.12276	1.9
195.13893	20.3
196.14214	1.0
197.11728	3.6
209.11900	1.0
211.13408	1.4
215.91866	0.5
249.22220	0.8
261.18579	0.8
263.86584	0.6
275.20178	2.2
293.21265	19.1
294.21527	2.1
307.19409	1.3
307.22739	3.2
309.20834	1.0
310.21561	5.0
311.21982	0.7
325.15067	1.9
325.23819	100.0
326.24185	10.6
342.20422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06451	0.5
57.03436	2.2
58.74822	0.7
58.75824	0.6
59.01384	4.3
61.83692	0.6
69.03453	1.4
71.01376	1.2
71.05010	2.0
73.02921	0.8
78.51274	0.6
81.03459	1.6
83.05031	1.7
97.06573	1.2
98.20672	1.1
99.08187	1.0
109.06575	2.2
111.08145	2.1
113.09729	9.2
113.53707	0.6
115.07641	1.9
119.08632	0.8
125.09705	1.0
127.07689	0.8
135.08156	1.1
137.09724	14.1
139.11249	2.1
141.09177	0.8
151.11301	5.3
153.09174	1.0
155.10773	1.7
161.01118	0.7
163.11255	1.0
165.12828	0.8
167.10786	1.5
169.12325	0.6
171.10248	1.3
171.13916	1.5
177.12816	0.9
179.10739	1.4
183.01144	0.6
193.12285	3.8
195.13898	3.1
197.11749	0.8
199.13411	1.9
201.11464	0.6
209.11848	1.9
225.11356	0.8
225.14922	7.3
227.12871	2.5
229.14644	1.3
237.74167	0.6
243.69070	0.6
249.22163	1.2
275.20169	4.5
291.19629	0.8
293.21228	26.0
294.21542	2.0
295.22714	0.7
307.19156	2.4
307.22775	9.8
325.20428	4.7
325.23825	100.0
326.24219	10.2
342.06369	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.5
59.01378	6.9
61.98833	0.9
62.64680	0.7
65.65528	0.8
69.03447	1.1
69.22541	1.4
69.22941	6.9
84.89879	0.7
88.69356	0.7
97.02927	1.4
97.79716	0.7
111.08138	2.1
112.64684	0.8
113.09709	3.4
125.09749	1.4
127.11254	3.9
141.12784	1.0
143.10762	4.6
151.11227	1.5
153.09210	1.0
153.12842	3.3
155.10803	1.0
165.12830	1.4
167.10768	1.4
169.12302	2.7
171.10252	9.1
181.12335	3.4
183.01244	1.9
183.13872	1.9
193.12334	3.9
197.11865	10.8
199.13432	4.2
209.11711	1.8
211.13370	16.3
212.13721	1.1
223.13152	0.9
225.11296	1.0
227.12892	1.6
289.17795	0.9
289.21509	1.1
291.19586	4.6
293.20349	0.9
307.19113	2.8
307.22723	20.2
308.23145	2.5
325.17816	2.9
325.23816	100.0
326.24228	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	325.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.01369	2.0
61.25158	0.8
71.01379	0.9
71.54321	1.2
72.06985	0.7
79.04333	0.7
83.04983	0.8
97.06581	0.9
98.10422	0.7
99.08193	1.5
113.09705	1.1
114.41551	0.8
123.08121	1.0
125.09671	0.9
127.11229	0.8
139.11310	1.0
149.09695	0.7
151.11298	5.4
165.12830	2.0
171.10335	1.6
177.07787	0.8
177.12848	2.7
177.67929	0.7
181.12392	1.7
184.47276	0.8
193.12329	5.2
195.13933	0.9
195.55257	0.7
197.11804	3.8
213.14861	3.9
225.14944	6.0
227.46832	0.8
249.22314	1.0
275.20132	3.6
289.39203	0.8
293.21210	11.6
294.21561	1.1
307.19455	1.1
307.22797	5.0
308.23120	1.0
310.21548	2.2
325.23825	100.0
326.24197	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	325.2017
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.03434	2.6
59.01376	5.7
69.45397	5.8
71.01406	0.9
71.05013	1.3
73.02963	0.8
80.02673	3.3
83.05014	3.2
84.02160	3.5
95.05021	1.9
97.06593	6.1
98.19958	1.8
99.08134	1.0
99.10434	0.7
101.02441	1.1
109.06549	0.9
115.07645	3.1
121.02953	1.1
123.08161	1.8
125.09721	38.7
126.10075	1.8
127.07664	1.0
127.11274	1.4
135.04485	0.8
135.08197	1.3
137.09715	19.8
139.11301	1.7
141.09221	1.2
153.09204	2.2
153.12810	1.1
155.10780	8.3
163.11284	2.9
165.12810	2.0
167.14386	2.2
171.10286	4.9
178.10028	2.3
181.12335	0.8
183.01213	1.1
183.10258	0.8
185.11787	1.4
187.09686	1.5
191.10796	1.4
193.15985	0.9
197.11687	1.3
207.10352	1.0
207.17641	0.9
209.11816	41.2
210.12117	2.3
215.12799	1.3
225.11107	0.8
227.12820	3.3
245.19038	1.4
249.18561	3.1
250.12086	1.5
250.96056	0.8
253.18175	1.1
279.19531	2.1
281.21320	3.8
289.18112	6.4
291.19583	2.7
293.17575	1.1
297.85620	0.7
307.19159	100.0
308.19519	13.3
312.62265	0.8
325.20044	16.2
325.23834	12.3
326.20334	1.0
326.24036	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	325.2018
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
50.88062	0.9
59.01376	7.2
69.81921	3.4
71.01406	1.5
71.04993	1.1
73.02949	1.2
80.02679	2.5
81.03458	1.6
83.05025	6.1
84.02171	2.4
95.05040	1.3
97.06576	2.2
99.08092	0.9
100.36912	0.9
107.00213	1.0
109.06534	1.2
112.05360	1.3
115.07621	7.6
125.06020	1.1
125.09727	4.3
127.07671	1.8
127.11280	2.0
129.05530	1.0
135.08203	1.1
137.09689	3.2
151.11279	3.8
155.10774	7.1
163.11296	6.6
165.12819	4.0
171.10274	2.2
178.09949	4.2
181.12352	1.1
191.10768	2.6
197.11755	2.5
200.08162	0.9
207.10100	1.1
209.11813	85.8
210.12125	3.6
215.12801	2.0
225.14880	0.9
227.12918	1.9
229.14403	2.2
236.10289	0.9
245.19102	2.2
263.20374	1.3
279.19678	2.3
281.21118	1.2
289.18048	4.0
292.17731	0.9
307.19135	100.0
308.19421	10.5
325.20035	10.1
325.23834	10.5
325.67169	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24893	1.3
57.03442	7.1
59.01374	1.9
69.03429	1.6
69.16942	12.8
69.17344	2.3
71.01368	2.0
72.02169	1.3
83.05028	1.8
89.04980	1.6
97.06599	5.7
104.04657	1.4
109.06566	5.0
111.08157	24.6
123.08156	3.6
125.06106	2.0
125.09718	27.3
127.07617	1.9
127.11293	12.7
135.08177	2.0
137.09750	6.8
139.11259	2.1
141.09222	3.6
151.11270	4.7
153.09218	3.5
155.10735	4.5
164.08398	4.3
165.09201	5.0
169.12305	3.2
171.10233	14.7
174.38097	1.4
175.59811	1.6
177.12840	2.3
181.12433	1.6
195.10263	3.8
197.11812	7.9
199.09798	3.7
201.11310	78.6
202.11671	3.6
209.11710	1.6
211.13419	7.5
213.11307	50.3
213.41212	1.8
214.11554	1.9
237.14940	9.7
245.19096	3.4
250.12106	1.4
289.18079	23.8
290.18524	1.7
307.19162	39.2
308.19431	3.8
325.20166	100.0
326.20523	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	325.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45585	0.3
62.16894	0.3
63.44474	0.3
63.94398	0.3
70.98801	0.4
70.99114	0.4
79.95686	1.5
98.15441	0.3
119.05031	1.1
137.47250	0.3
141.09283	0.3
170.00439	1.3
183.01199	50.5
184.01822	3.3
197.02771	3.0
198.03569	0.5
214.38564	0.3
216.00952	2.0
225.05891	0.7
230.02557	0.3
239.07487	0.6
325.18408	100.0
326.18777	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.0
59.01380	1.8
66.08321	1.8
68.74529	1.5
69.03446	1.9
69.74357	6.3
69.74772	2.4
71.01384	7.2
71.05035	2.1
72.02165	2.2
81.03444	1.9
83.05022	5.4
84.02165	5.4
84.04259	1.5
91.71412	1.5
95.05013	2.7
97.06589	6.1
97.81544	1.5
99.08147	4.9
100.99847	1.5
115.07653	5.0
123.08160	1.7
125.09753	4.8
127.07664	19.6
139.07671	6.2
153.09192	15.2
154.09518	1.9
155.10812	3.1
163.11249	3.7
165.12738	2.1
171.10272	16.9
178.10008	5.3
181.12244	1.6
182.86285	1.4
185.11853	17.1
191.10788	3.5
197.11839	15.7
209.11830	81.4
210.12173	5.2
237.14919	2.5
238.12128	7.5
245.19051	4.8
256.13174	4.5
289.18124	14.9
290.18491	1.7
307.19122	100.0
308.19461	12.3
325.20193	44.6
325.24072	2.4
326.20599	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	325.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01715	0.9
61.98832	2.8
62.89191	0.5
69.77007	3.0
71.01373	6.9
73.02952	2.4
78.95914	1.6
83.01403	0.6
85.02967	3.1
88.04076	1.5
89.02454	2.4
98.19984	1.2
99.00909	0.9
101.02437	6.1
107.00903	0.5
113.02450	2.3
115.00371	0.8
119.03492	1.2
119.05045	1.2
132.03061	1.3
134.03746	1.1
143.03476	0.8
149.06108	0.8
151.04121	0.6
161.04564	5.6
163.04068	1.3
171.00754	0.7
197.29332	0.6
265.12900	15.2
265.15616	1.0
266.13345	0.7
326.09372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42554	0.4
55.01874	0.5
57.85378	0.4
59.01377	48.5
61.98824	0.6
71.01379	6.0
71.45248	0.5
71.45562	0.6
72.99334	0.4
73.02945	1.8
74.29192	0.4
79.05991	0.3
83.01395	1.0
85.02953	2.6
89.02454	1.1
95.01366	0.5
96.95988	0.6
98.95604	1.0
99.00918	0.9
101.02433	5.6
108.18306	0.5
113.02459	3.1
115.22164	0.4
117.03444	0.4
119.05022	100.0
120.05342	5.2
140.07260	0.4
158.83449	0.4
159.03043	0.6
161.04565	6.4
163.03999	77.2
164.04367	4.0
182.64413	0.5
198.51855	0.4
225.31073	0.4
227.60823	0.5
263.83990	0.4
263.87018	0.4
265.12897	15.8
266.13278	1.0
325.09641	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
63.31175	0.2
71.53896	0.4
79.95766	1.1
103.94964	0.3
109.96044	0.2
118.44812	0.3
119.05035	1.2
127.12520	0.3
156.17833	0.3
170.00456	1.5
183.01196	50.5
184.01727	3.6
197.02774	1.2
198.03593	0.5
205.21666	0.3
211.04350	0.3
216.00945	1.2
225.05898	0.6
239.07411	0.7
253.08905	0.3
262.83298	0.3
293.21481	0.3
307.19299	0.4
325.18402	100.0
326.18759	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	325.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82199	0.6
59.01379	100.0
60.01700	1.1
61.98840	1.9
71.01377	5.7
71.26610	0.6
71.54299	0.6
71.54700	0.8
72.39162	0.7
73.02945	1.6
85.02972	2.5
91.69048	0.6
95.01434	0.7
96.96006	1.6
97.06619	0.7
99.00907	0.7
101.02435	4.4
108.02181	0.7
113.02473	2.5
119.70731	0.8
120.01263	1.6
126.18697	0.6
134.03737	21.6
135.04532	1.0
136.01659	18.4
159.03001	0.6
161.04588	2.8
163.04085	1.1
196.19122	0.6
226.44008	0.6
231.10240	5.6
233.08089	3.4
237.09396	1.6
283.11978	2.8
293.10297	1.3
325.12976	3.5
326.13455	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89405	0.5
59.01380	100.0
60.01736	0.8
61.06508	0.5
61.98842	3.7
67.74771	0.5
69.80627	3.1
71.01384	3.9
73.02965	1.2
78.95927	0.5
82.16987	0.5
85.02962	1.2
89.02473	1.8
98.19920	1.3
99.00854	0.8
101.02450	3.8
113.02482	1.6
119.05019	0.8
132.03004	1.0
138.05763	0.5
159.02969	0.6
161.04561	4.9
164.07193	0.6
265.12878	11.0
279.03027	0.5
325.10260	0.6
326.08957	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45784	0.4
55.01859	0.6
57.03461	0.4
59.01379	100.0
60.01728	0.9
61.98824	1.3
71.01380	4.8
73.02942	2.2
74.35290	0.4
83.01370	0.6
85.02953	2.5
89.02454	0.7
95.01404	0.6
96.96046	1.3
99.00909	0.8
101.02445	3.7
102.87225	0.4
108.02216	0.7
109.02953	0.4
113.02462	2.4
119.05013	0.7
120.01260	2.3
134.03737	21.1
135.04622	2.0
136.01660	18.1
136.02748	0.5
137.02480	1.1
146.54788	0.5
159.03000	0.6
161.04543	2.6
231.10263	5.6
232.10547	0.5
233.08221	3.2
237.09254	1.8
253.08887	0.6
283.11984	2.0
293.10306	0.6
325.06989	0.5
325.13013	4.6
325.20447	0.8
326.13318	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42651	1.2
57.03439	1.5
59.01380	16.6
60.89966	1.3
62.84320	1.4
69.95372	5.3
71.01355	1.8
86.33293	1.4
119.08646	1.5
125.09758	1.8
135.08144	2.1
148.08960	1.7
165.12842	18.9
171.10240	6.2
247.20673	10.9
273.18527	9.0
291.19672	100.0
292.20004	12.0
305.17474	4.5
305.21161	5.4
309.67203	1.5
323.18747	2.3
323.22198	3.4
337.06381	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	323.2591
Annotation	(plusmn)15-HEDE
Peak:m/z	Relative Intensity
57.03442	0.8
59.01373	2.4
69.76265	1.3
69.76675	0.9
83.05023	0.5
87.00871	0.4
92.68623	0.4
113.09752	1.9
132.50636	0.4
152.39284	0.4
207.17552	1.3
209.15459	0.5
223.17043	15.9
224.17354	1.4
240.01738	0.4
247.20686	1.0
279.26999	0.4
284.97256	0.5
305.24844	18.3
306.25125	2.0
323.25888	100.0
324.26248	11.8
326.73392	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
56.51989	0.3
68.79079	0.3
69.72268	0.7
69.72674	1.1
77.84749	0.3
93.03461	0.3
119.05022	100.0
120.05358	4.1
163.04002	80.0
164.04346	4.3
322.95737	0.3
325.09030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87292	1.4
51.13031	1.2
53.29353	1.3
56.58562	1.3
59.01381	14.1
64.87833	1.6
69.03438	2.2
79.10350	1.5
86.78886	1.5
95.05002	2.3
97.06616	1.9
109.22798	1.7
111.08171	2.2
121.10178	1.8
123.53954	1.5
132.86760	1.4
149.13264	2.5
149.25560	1.4
161.04509	1.5
177.12798	2.1
179.10735	1.8
193.12318	43.2
194.12871	6.8
209.11777	1.9
221.11823	11.3
222.12636	10.0
225.14972	11.5
229.19597	12.0
254.11598	6.4
273.18564	27.3
274.19055	3.4
291.19678	100.0
292.20166	10.8
305.17587	3.7
305.21078	1.8
323.18478	3.0
323.22253	49.5
324.22586	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	323.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43920	2.7
51.80432	2.7
59.01373	26.9
69.03460	6.8
70.03598	9.6
83.05012	4.4
97.06583	32.5
98.19892	4.8
105.91810	2.7
111.08109	4.1
125.07949	3.1
183.13866	8.2
193.12343	55.5
201.12125	3.1
209.11732	3.7
211.13397	100.0
212.13753	6.4
247.20670	55.5
248.20963	3.6
275.15451	2.6
279.23138	11.1
291.19662	15.3
295.23166	2.4
323.22321	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	323.2228
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
50.35264	3.8
57.03447	8.0
59.01387	51.4
60.48999	3.9
68.29943	3.6
69.97576	11.5
69.97990	8.7
72.09473	4.1
83.05023	6.1
84.02097	3.9
89.12988	4.0
95.05012	4.6
97.06609	18.5
101.02459	4.6
124.05319	7.4
125.06087	69.7
126.06868	12.7
141.41084	3.7
151.11243	9.9
163.11342	5.4
165.12863	17.0
181.12294	10.6
209.11897	33.1
252.13600	7.7
253.14400	36.2
254.15221	41.4
273.18689	8.2
286.14270	7.9
291.19632	22.6
305.21231	29.6
323.16595	31.6
323.22238	100.0
323.25916	7.0
324.22513	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.3
58.96030	1.6
59.01371	3.0
67.38077	1.7
70.77342	3.6
93.03543	2.0
109.06611	2.3
111.08147	7.3
125.09741	3.5
145.30222	1.6
147.57750	1.8
151.11256	3.2
155.10867	1.6
163.11237	2.2
165.12840	4.9
169.12366	2.2
181.12350	5.7
190.45233	1.8
193.12329	2.9
197.11815	38.6
209.11812	2.7
212.14215	2.1
213.14987	7.6
225.14706	1.9
229.19568	2.1
239.12900	2.6
241.14491	3.0
244.13161	2.7
273.18619	8.5
291.19656	40.7
292.20074	3.9
305.21216	5.2
306.21857	1.7
308.19836	5.8
323.22250	100.0
324.22562	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	323.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.6
58.79314	1.2
59.01366	4.2
64.57103	1.2
66.90858	1.0
69.03429	1.0
69.95831	4.9
69.96198	2.0
71.05022	1.3
83.05025	1.7
97.06583	3.3
100.29558	1.0
118.61397	1.1
123.08104	1.9
125.09695	5.0
127.07719	1.4
153.09254	2.3
163.11299	4.0
165.09209	3.5
165.12814	2.1
181.12303	1.6
187.49449	1.2
193.12332	1.6
195.13806	1.5
197.11844	4.6
221.11797	3.9
223.17058	1.1
227.09467	1.2
233.15503	6.3
239.12863	3.6
253.14349	2.0
261.22159	1.5
273.18579	2.8
277.14487	1.4
291.19635	28.0
292.20044	1.5
305.17880	2.5
305.21185	35.8
306.21628	4.8
308.19928	7.5
323.22241	100.0
324.22586	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2228
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
54.46132	1.1
54.83279	1.1
57.03441	1.1
58.25492	1.0
59.01377	4.5
70.45454	1.7
70.45785	2.2
71.05018	1.8
81.03445	1.3
83.05012	1.3
97.06619	1.1
111.08166	6.5
123.08184	1.3
125.09769	1.3
137.09712	3.4
171.10234	1.9
177.12851	4.3
185.11798	3.2
193.12390	1.9
194.12950	1.8
195.13884	4.5
196.13922	1.3
221.11841	4.6
222.12569	3.9
223.13374	1.6
225.14920	4.5
238.12123	2.6
247.20578	1.7
253.14470	3.7
254.11517	1.6
265.18060	1.3
273.18610	3.9
291.19659	36.7
292.19934	2.9
305.17676	1.6
305.21118	8.5
323.22263	100.0
324.22620	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.1
59.01371	3.9
69.03452	2.3
70.04085	5.8
79.37083	1.2
86.07027	1.2
88.52228	1.6
96.50450	1.2
108.00815	1.2
111.08138	2.2
123.08115	1.5
125.09706	4.2
145.83153	1.3
165.12827	5.9
172.67723	1.5
181.12373	1.5
197.11751	4.4
198.80022	1.3
217.15912	2.6
247.20584	2.8
273.18588	3.3
291.19629	92.1
292.20007	9.1
295.22833	1.5
305.21130	3.3
308.19928	5.8
309.20724	1.6
323.22253	100.0
324.22433	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	323.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.3
59.01378	4.2
62.98282	0.6
67.13578	0.7
68.02412	0.7
69.63480	2.4
69.63885	1.3
70.53015	0.6
71.05010	2.7
81.03444	0.8
83.05051	1.1
95.05041	1.2
96.72686	0.7
97.06586	1.7
111.08167	8.2
114.03666	0.6
123.08156	1.4
125.09687	0.9
137.09636	0.7
167.10741	1.7
177.12836	2.4
194.13060	1.5
195.13898	4.5
209.15553	0.7
211.13383	0.9
219.14008	0.7
221.11838	3.8
222.12723	4.3
222.14467	0.8
223.13359	1.0
225.15018	4.4
235.17009	0.9
238.12138	2.7
247.20709	1.2
253.14474	3.5
254.11609	2.3
265.17987	1.2
273.18622	3.3
287.16528	0.9
291.19669	45.0
292.20065	4.6
305.17996	0.9
305.21234	4.3
312.24622	0.8
323.22263	100.0
324.22559	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	323.1863
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03440	3.7
59.01370	14.0
60.16160	2.1
66.91692	2.1
67.95966	2.2
71.05019	15.2
81.03457	6.2
83.05025	6.0
86.60762	2.2
86.65312	2.1
93.07074	2.4
94.04283	2.0
95.05035	27.2
97.06610	5.1
98.19865	5.2
99.62298	2.0
106.04238	3.9
107.05009	3.3
107.34558	2.4
109.06599	24.6
109.75750	2.1
113.06105	3.4
119.93656	2.0
121.06610	4.7
122.03764	19.1
123.08154	7.8
125.09715	6.1
133.06589	54.9
135.08160	18.1
137.06096	2.6
139.07668	2.4
147.04475	3.4
149.09702	5.6
151.07637	29.3
161.06075	4.1
163.11256	3.0
171.10265	71.6
172.10609	4.6
185.11723	4.0
189.12842	10.1
195.13928	2.6
197.11838	3.1
207.10359	2.7
209.11824	7.6
223.13370	13.6
233.11797	8.6
239.12570	2.5
243.17538	27.9
249.14952	12.2
263.16498	4.2
265.14517	2.7
269.15469	3.9
277.17990	7.4
287.16522	100.0
288.16876	10.1
305.17587	65.0
305.20395	1.7
306.17932	4.7
323.18671	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	323.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05328	1.0
57.03450	10.9
59.01374	14.7
69.03443	4.8
71.01364	1.6
71.05017	6.2
71.56267	1.4
72.41578	1.0
79.05514	1.7
80.02650	2.3
81.03455	4.2
83.05019	8.7
93.03439	2.4
95.05035	5.8
96.95969	1.6
97.06567	2.0
98.03731	3.8
99.04515	1.6
99.08096	1.2
107.05013	2.1
109.06593	32.3
110.06964	1.2
111.04522	2.4
111.08168	7.7
112.05315	1.4
121.02969	2.3
121.06573	2.1
123.08149	3.8
125.09695	3.7
127.07648	14.5
127.11269	5.8
131.08624	1.2
133.06618	2.4
135.04448	1.2
135.08162	2.0
146.48473	1.0
149.09711	8.7
151.07625	8.7
151.11282	1.6
153.09334	1.1
156.80440	1.2
165.09007	2.0
171.10263	100.0
172.10585	4.2
185.11821	4.4
193.12288	3.1
195.10254	39.1
196.10561	1.6
197.11823	3.4
203.14323	1.3
207.10194	1.4
209.11800	2.2
213.11304	1.7
221.11720	1.4
223.13394	4.8
233.11815	2.4
240.20067	1.0
247.13371	9.0
251.12851	2.1
265.14404	14.7
269.15363	1.7
287.16550	10.4
305.17569	23.3
306.17911	2.4
323.08075	1.7
323.15085	1.5
323.18555	12.5
323.42679	1.3
324.18823	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38149	3.5
57.03455	17.6
59.01376	34.4
68.54827	3.4
69.03455	7.8
69.68147	19.2
71.01374	6.2
71.05038	9.2
80.11228	3.0
81.03453	5.6
83.05032	13.7
85.02956	62.2
87.04456	3.9
95.05039	16.1
97.06573	8.8
98.20689	3.6
107.05017	8.2
109.02921	5.8
109.06596	51.2
110.03766	5.3
111.04533	3.8
111.08189	4.7
121.02943	4.1
121.06581	6.9
123.08179	5.1
124.05275	4.3
125.02470	5.0
125.06077	13.1
127.07661	9.1
135.04555	3.8
135.08182	18.4
139.07671	4.6
149.09715	9.7
151.07684	3.9
151.11327	5.0
153.09201	5.2
167.10774	6.3
171.10333	3.5
177.12791	4.9
179.10756	7.1
189.12825	8.2
193.12296	6.2
195.13950	26.1
196.14258	3.7
197.11880	4.4
203.14398	42.9
204.14790	3.7
209.11880	16.0
223.13391	12.0
225.11333	5.6
229.12320	5.0
233.19107	3.3
235.13359	4.0
243.17558	41.0
244.17844	6.2
247.13376	84.7
248.13670	7.7
250.12086	11.5
251.12671	3.2
251.19875	5.2
259.17059	4.4
261.18549	10.7
265.14410	53.3
287.16522	60.0
288.16794	8.3
305.17566	100.0
306.17841	12.2
323.18622	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	323.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29097	1.4
55.01884	1.8
57.03448	7.6
58.00584	2.9
59.01377	100.0
61.98834	10.4
65.03962	41.7
69.03436	2.8
70.68264	4.3
71.01378	19.6
72.99310	5.4
73.02953	2.5
80.96519	6.0
81.03470	2.4
83.05024	34.4
84.02167	1.8
85.02945	71.0
86.03284	2.1
89.02423	12.2
93.03453	1.5
95.05058	2.7
96.96002	4.6
99.08157	17.1
101.02437	7.5
113.02465	3.0
113.06084	7.1
119.03487	3.4
124.34686	1.4
127.04021	29.0
127.70987	1.5
129.09253	3.6
139.11180	1.8
141.09244	3.1
148.01660	2.7
159.10236	3.6
160.01637	4.5
161.04501	3.4
163.04028	6.1
175.03966	7.1
175.53783	1.4
197.11874	2.6
219.06662	3.6
219.12415	2.1
243.15948	3.7
261.17026	4.9
287.14954	4.8
305.16058	10.8
323.08206	3.2
323.17084	73.1
324.17352	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	323.1861
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03439	10.7
59.01374	7.4
68.80321	2.4
69.03468	5.8
69.97793	6.4
69.98205	7.6
70.09097	3.1
71.05028	13.6
73.77496	2.7
81.03451	7.8
83.01386	11.9
83.05042	8.1
93.03466	4.4
95.05016	28.9
97.06574	17.9
107.05039	3.8
107.21114	2.3
109.06587	7.5
113.06091	10.6
116.92840	4.0
123.04541	7.4
125.06051	3.9
125.09724	21.0
135.08167	13.5
149.09743	4.5
163.11276	8.3
165.09250	3.3
165.12872	5.6
167.10809	4.0
177.12920	3.2
181.12340	7.5
185.11832	21.1
189.12782	4.7
191.10806	9.4
195.10225	3.4
197.11803	3.4
203.14413	8.3
209.11812	100.0
210.12177	10.0
211.13348	5.1
223.13330	3.6
237.14963	28.0
243.17502	6.0
247.13348	8.1
249.15057	3.8
265.14459	15.8
287.16516	16.4
305.17584	30.1
323.18634	42.4
324.18671	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	323.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.8
59.01381	28.7
67.01898	1.3
69.03456	100.0
70.03786	1.4
71.01389	3.3
71.53998	0.8
72.99299	2.1
79.01887	4.6
85.02954	2.6
89.02456	1.6
93.03461	5.5
95.01395	3.3
96.96012	4.4
97.02954	18.7
99.00879	25.0
100.01242	1.0
101.02482	1.5
101.06080	18.1
113.02394	1.8
115.00399	1.3
121.02964	1.1
123.00898	0.8
124.03893	0.9
137.02486	5.2
141.01945	7.0
145.07718	0.9
161.04475	1.1
169.98288	0.8
175.08018	0.8
185.00911	51.8
186.01291	1.2
203.02005	5.3
263.11237	1.0
271.07684	1.2
323.04190	7.5
323.07932	1.2
323.11862	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	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01715	0.8
68.32507	0.4
69.70886	1.1
69.71278	1.1
70.12300	0.5
71.01382	4.4
71.05004	0.5
73.02956	1.6
74.24220	0.5
77.97606	0.5
85.02967	2.4
89.02455	2.0
99.00909	0.7
101.02433	4.1
101.06119	1.5
113.02467	2.2
123.17305	0.5
124.78860	0.5
143.03532	0.8
159.03008	0.7
161.04553	4.3
162.05624	1.9
179.05656	0.6
263.11316	4.7
282.11526	0.5
301.21759	0.5
323.13538	1.5
323.40350	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70766	0.9
57.03456	3.3
59.01382	32.1
59.56464	0.7
59.95635	0.8
69.03469	1.0
71.01396	0.8
71.05024	1.1
71.56047	1.0
76.12211	0.8
81.03519	0.9
83.05032	6.9
85.02966	3.1
88.41769	1.0
95.05038	3.2
97.06589	12.9
99.00634	7.4
107.05061	1.3
107.72263	0.9
109.06608	4.3
111.08173	10.5
113.02211	12.2
121.03020	1.0
121.06619	1.1
125.09763	1.9
129.59912	0.9
135.08115	1.2
137.09833	1.2
142.99757	1.0
149.09711	1.5
153.09221	1.2
157.01225	1.4
163.11353	4.2
165.12851	100.0
166.13167	5.4
171.10283	0.9
181.12326	1.6
197.15477	56.5
198.15842	5.2
203.14403	1.8
207.10376	1.3
209.11786	10.0
221.11813	1.1
225.11357	2.4
227.12959	1.4
231.10094	1.3
233.11847	1.6
241.14455	30.3
242.14822	3.2
243.17601	2.3
247.13219	8.6
251.12999	1.3
265.14386	3.0
285.59686	0.9
287.16486	2.4
305.17569	14.2
306.17984	1.5
323.14725	15.0
323.18680	6.8
323.22241	1.6
324.15222	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	322.2022
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02975	1.8
59.01380	1.8
64.64619	0.2
71.01386	0.2
71.56115	0.3
81.03472	0.7
83.05032	0.3
84.10211	0.2
95.05038	1.3
96.32938	0.2
96.96031	0.3
97.06599	0.8
101.02531	0.2
109.06600	0.6
109.75524	0.2
123.08148	0.3
125.09756	0.5
128.10818	7.1
130.08734	100.0
131.09071	2.3
141.18622	0.2
149.09656	0.3
151.07664	0.3
151.11298	0.2
165.12831	0.9
171.10265	0.5
172.09824	0.4
185.11697	0.3
201.11362	0.4
207.10274	0.3
209.11789	1.4
223.13350	0.3
225.11322	0.5
237.14868	0.2
243.17615	0.3
261.14725	0.3
265.14410	0.4
265.31335	0.3
279.16034	0.5
279.19730	0.3
287.16620	0.5
305.17551	1.5
322.20212	37.8
323.21005	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	322.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15360	0.7
55.01855	0.7
59.01377	6.6
61.98827	100.0
66.62865	0.5
68.61368	0.5
69.03473	0.7
70.77792	0.5
71.01390	3.3
71.55766	1.0
73.02941	1.2
80.96560	0.7
81.91474	0.5
85.02956	2.3
96.96009	1.1
99.00916	1.0
101.02454	2.7
113.02464	2.6
114.75145	0.6
124.87063	0.5
139.60942	0.7
161.02376	0.8
223.09766	1.8
230.39992	0.6
241.10951	1.8
245.47838	0.6
286.16742	0.8
305.14014	0.8
330.24380	0.6
334.52618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2435
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
70.86813	1.8
73.65444	0.7
83.18502	0.7
118.91674	1.0
180.50572	0.8
207.17393	1.8
223.17029	11.6
224.17775	2.5
233.15495	1.1
239.16682	0.9
249.98277	0.7
251.16530	11.3
252.16954	1.5
256.16861	1.8
267.15726	0.8
284.16287	3.3
303.23303	7.7
321.24347	100.0
322.24683	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	321.2432
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
57.03437	2.6
59.01369	5.0
70.86874	1.0
70.87167	0.6
85.06609	0.6
113.09720	9.8
121.10251	0.7
136.55334	0.6
195.13951	3.3
199.13379	1.7
205.16023	1.8
207.13890	2.1
223.17018	5.4
224.17380	0.7
263.20120	2.2
303.23343	4.9
321.24319	100.0
322.24548	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	322.093
Annotation	Indole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
53.76590	1.2
54.43617	1.4
55.01885	1.6
58.00590	2.9
59.01377	100.0
60.01720	1.4
61.98814	1.5
69.23723	1.3
71.01382	47.2
71.01778	2.6
71.55436	1.9
72.99303	3.7
73.02921	1.6
81.38364	1.5
83.01376	2.3
85.02955	10.7
87.00891	4.1
89.02444	50.6
90.02794	1.8
95.01387	3.1
101.02439	29.4
113.02447	19.0
116.05061	31.0
117.05418	2.0
119.03479	18.0
143.03438	3.2
146.06065	2.1
160.04034	59.0
161.04495	5.1
177.01912	2.7
179.05600	4.2
202.03419	2.4
202.05110	23.0
203.05307	2.5
215.20815	1.4
232.06056	3.6
262.07166	36.5
263.07498	3.4
263.80411	1.6
322.09299	66.5
322.15570	3.1
323.09634	4.4
323.15500	1.4
334.62363	1.4
335.20059	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	321.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.1
60.57981	1.3
70.60051	4.2
78.95904	20.8
80.96528	10.9
89.55509	1.4
97.39964	1.2
109.66939	1.2
113.09676	1.4
150.56291	1.3
153.74748	1.4
155.00797	1.3
167.10796	1.6
167.21133	1.6
195.13885	10.0
209.09532	1.8
221.15514	2.1
221.71449	1.4
223.13342	9.9
275.20172	19.8
276.20453	2.2
293.21231	100.0
294.21591	10.0
303.23355	2.4
321.17410	2.4
321.21741	10.0
321.24783	4.1
322.22476	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	321.2067
Annotation	Decahydro-alpha,4a-dimethyl-8-methylene-7-(2-methyl-1-oxopropoxy)-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
53.08891	1.4
55.01885	1.3
59.01381	13.6
69.03440	1.8
69.22362	14.6
71.05022	100.0
72.05373	2.7
73.02978	1.8
77.15524	1.3
81.03470	7.1
82.76945	1.6
83.05031	7.8
93.03472	4.6
95.05028	4.9
96.96015	3.7
97.02919	1.6
97.06588	6.8
98.20746	1.6
98.37307	1.6
104.99627	1.3
108.02151	1.8
109.02940	17.8
109.06563	5.0
109.51286	1.4
110.03728	3.2
111.04523	60.2
111.08132	2.2
118.27852	1.6
121.06618	2.6
121.10247	2.2
123.08199	1.7
125.09697	3.6
137.06064	5.4
137.09805	1.6
137.48988	1.6
138.06895	1.9
141.01683	2.1
149.06061	9.5
149.09694	2.6
151.11273	1.8
159.11746	7.2
175.11282	4.8
177.12839	48.1
178.13266	2.5
182.22224	1.4
183.07492	1.5
209.15414	3.0
212.62964	1.7
217.12296	3.5
226.90280	1.5
231.13872	5.1
233.15463	7.3
235.13498	2.1
245.19054	4.4
249.14977	14.8
263.16464	4.3
265.18134	3.3
277.21887	1.5
289.18091	19.0
290.18295	2.1
292.16776	5.1
303.19626	8.2
321.17468	2.5
321.20673	70.2
321.24484	3.6
322.20840	8.1
344.07950	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1706
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
57.03444	19.1
59.01382	91.2
69.03461	16.6
71.05032	36.1
71.12532	19.3
73.02940	23.5
83.05029	23.1
85.02950	49.4
85.06590	14.5
87.04530	35.5
95.05047	50.8
96.96016	68.6
97.02952	18.6
99.04531	23.3
106.04271	12.5
107.08693	8.9
108.02152	15.7
109.06610	28.3
111.04538	23.0
111.08144	9.7
121.06585	13.3
125.06088	14.0
125.09721	12.3
135.08203	12.9
136.05283	10.6
138.03198	12.7
139.07672	11.0
147.08130	15.0
165.09203	10.7
175.11278	10.7
177.09183	13.7
177.12804	9.7
187.11296	14.7
189.12859	25.9
193.12311	11.0
201.12877	46.0
203.14429	13.7
221.11595	10.6
233.11810	22.4
235.13387	35.7
241.15996	18.3
245.11795	72.4
247.13359	13.2
251.12886	31.5
254.55705	8.6
259.17059	27.6
263.12836	78.0
277.18063	20.6
285.14868	20.9
303.15964	65.5
321.17178	100.0
321.20792	23.9
322.17331	14.7
331.82837	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	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03443	0.9
58.00570	0.9
59.01377	26.7
61.98797	0.4
71.01379	17.2
71.55427	0.7
72.99303	1.7
73.02943	3.2
83.01397	2.9
85.02943	5.7
87.00858	1.8
89.02445	8.7
95.01407	1.0
95.87466	0.5
96.96027	0.6
99.00874	1.1
101.02437	11.9
102.02756	0.4
105.77106	0.4
111.00913	1.1
111.08090	0.5
113.02444	4.7
113.09736	2.5
119.03498	3.4
120.99694	0.6
123.04563	0.9
136.07646	0.6
141.09248	4.6
159.10263	29.6
160.10556	1.3
292.39182	0.5
303.14343	2.5
321.15518	100.0
322.15906	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13800	0.7
59.01379	100.0
60.01704	1.3
61.98824	3.6
69.53493	4.4
71.01374	5.3
81.92138	0.7
83.04975	0.7
83.42287	0.5
83.96282	0.7
87.00888	0.8
87.61808	0.6
89.02454	7.2
96.96032	1.3
101.02464	1.9
107.03773	0.8
108.04570	1.2
112.04036	4.4
113.02468	1.5
119.03504	2.0
120.24469	0.6
122.06110	12.1
123.06469	1.1
124.04036	3.8
124.07710	1.9
129.72858	0.7
136.07674	19.6
137.66612	0.6
140.07205	2.6
141.09325	1.1
161.04550	0.8
168.06667	3.6
178.21890	0.7
179.05589	1.0
179.07089	0.7
180.06697	2.2
184.06157	11.0
247.85551	0.6
268.57721	0.8
303.13428	4.6
321.10782	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24263	0.3
50.58381	0.3
55.01883	0.9
57.03456	1.0
58.00592	1.1
59.01380	37.9
60.01712	0.4
61.98846	0.3
66.30488	0.3
69.03455	0.4
69.96941	1.1
71.01382	20.3
72.99291	1.5
73.02950	1.4
75.00871	0.4
83.01376	1.7
83.08512	0.3
85.02956	4.6
87.00867	1.5
89.02447	16.9
95.01376	2.1
96.96069	0.3
97.02956	0.3
98.20612	0.4
99.00872	0.8
99.97929	0.3
101.02441	12.9
111.08183	0.4
113.02451	7.1
113.09729	28.5
114.10091	0.9
119.03497	6.6
127.11315	0.7
130.86971	0.3
131.03500	0.4
141.09216	6.1
143.03487	0.6
143.10786	1.7
149.04579	0.4
155.10751	2.1
157.08803	0.4
159.10265	61.2
160.10622	2.4
161.04544	0.4
179.05652	0.7
183.19647	0.3
194.99873	0.3
201.11359	1.6
208.15871	0.3
241.00349	0.5
263.46948	0.3
288.21371	0.3
321.15536	100.0
322.15857	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	321.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04612	0.9
53.32890	0.9
59.01376	100.0
61.25272	0.9
63.10030	1.0
64.39201	0.8
69.43703	1.0
69.59196	6.8
71.01371	5.9
72.01756	0.9
89.02428	5.2
98.20628	2.1
101.02428	3.5
102.66103	1.0
111.08162	2.2
113.02447	2.3
119.03493	1.1
136.07680	8.4
137.06090	1.3
137.07982	1.0
138.05579	1.7
138.09280	1.4
157.08670	2.6
158.09012	1.5
159.09232	1.5
179.05606	1.1
196.28864	1.1
199.48759	1.1
259.14423	2.8
304.98083	1.0
321.14337	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	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52567	0.4
55.34393	0.4
57.03444	0.8
58.00577	0.9
59.01377	36.3
71.01379	18.7
71.01779	0.8
71.26463	0.5
71.26781	0.6
72.59299	0.4
72.99309	1.1
73.02948	0.9
75.00864	0.6
83.01396	1.6
85.02944	4.4
87.00865	1.2
89.02441	15.5
90.02781	0.4
95.01378	1.4
96.96017	0.5
99.00928	0.5
101.02438	11.6
101.09604	0.5
105.01969	0.4
108.06884	0.4
110.35088	0.4
111.08147	0.5
113.02445	6.6
113.09723	21.7
114.10036	0.5
119.03503	6.1
127.11326	0.6
133.72870	0.4
134.73799	0.5
141.09212	5.7
143.03532	0.7
143.10757	1.6
155.10785	1.6
159.10258	56.8
160.10629	2.6
179.05566	0.8
201.11316	1.4
212.02756	0.4
273.49796	0.5
321.15518	100.0
322.15897	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
57.03429	1.0
57.81206	0.3
58.00592	0.7
59.01379	17.9
69.03417	0.3
70.82485	0.7
70.82816	0.4
71.01385	14.5
72.99301	1.0
73.02944	2.8
75.00854	0.6
77.45611	0.3
79.01071	0.4
79.95740	0.4
80.96533	0.5
83.01401	3.1
85.02950	5.5
86.00143	0.3
87.00861	1.8
89.02444	5.4
90.02793	0.3
95.01384	1.1
96.96021	0.6
99.00845	0.7
101.02441	8.6
103.85799	0.3
111.00859	0.8
113.02442	3.9
113.09725	2.7
116.05080	0.6
119.03501	2.3
123.04594	0.4
125.02412	0.3
129.01889	0.5
141.09219	2.5
143.03496	0.5
159.10266	33.7
160.04027	0.7
160.10616	1.3
171.10338	0.5
173.11838	0.6
198.52399	0.3
201.11360	0.8
235.83446	0.3
252.47093	0.3
262.07300	0.5
303.14520	2.6
321.15530	100.0
322.09778	1.6
322.15866	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	321.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73214	0.7
55.01871	1.5
57.03438	1.0
58.00589	3.1
58.68133	0.6
59.01377	77.7
60.01717	0.8
62.92221	0.6
69.63651	0.7
71.01377	39.5
72.99310	3.1
73.02917	1.3
77.92226	0.7
83.01381	2.5
85.02945	8.3
87.00868	1.7
89.02441	44.4
95.01384	3.1
98.97267	0.7
101.02436	28.7
102.02753	0.7
108.04510	0.7
113.02442	15.2
113.09737	0.9
119.03493	20.9
131.03545	1.1
131.96729	0.7
141.09213	12.4
143.03464	1.4
159.10249	4.7
161.04510	1.4
179.05565	1.3
209.03366	0.9
223.78174	0.8
321.15515	100.0
322.15790	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74029	0.5
55.01874	1.2
57.03448	1.3
57.69232	0.7
59.01381	30.4
70.16035	2.5
71.01003	1.2
71.01382	18.6
71.30494	0.6
72.99310	1.2
73.02956	3.8
80.96538	0.6
81.03463	0.7
82.03920	0.5
83.01393	1.4
83.05004	0.6
85.02953	10.8
87.00871	1.4
87.04498	1.0
89.02448	12.6
95.01389	1.5
95.05029	7.5
96.96009	1.1
97.06590	49.6
98.06949	1.4
99.00897	1.1
99.04518	1.6
101.02452	13.3
113.02460	9.9
115.07648	11.4
119.03510	4.2
122.02454	0.8
131.03455	0.6
139.07652	2.1
141.05585	2.2
143.03528	1.4
155.07184	0.7
159.06636	100.0
159.10254	2.0
160.04082	0.8
160.06943	2.9
161.04556	8.2
173.08165	1.5
179.05663	1.8
183.06616	8.7
201.07713	2.1
245.09367	4.7
289.08093	0.7
321.11710	2.2
321.15527	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	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.83714	0.6
60.01717	1.3
61.03025	0.7
61.39208	0.6
65.27612	0.6
66.02382	0.6
67.42419	0.6
70.75385	1.5
71.01376	5.5
73.02966	1.0
80.96540	0.7
81.66088	0.6
83.01382	1.0
85.02968	2.9
89.02448	1.6
96.95978	0.6
99.00882	0.9
101.02439	4.8
113.02478	2.0
143.08438	0.7
161.04619	1.3
207.63817	0.6
279.14627	3.0
283.91702	0.6
315.57251	0.6
337.48627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81366	0.9
55.01875	1.9
55.81580	0.9
57.03435	1.3
58.00582	2.5
59.01379	70.0
67.59016	0.8
69.36040	3.8
69.36451	3.0
71.01380	39.9
72.99300	3.0
73.02941	1.4
79.32241	0.9
83.00938	0.9
83.01389	3.8
85.02955	9.5
87.00872	1.9
89.02440	33.4
95.01377	3.5
101.02448	23.6
113.02457	13.0
119.03498	16.3
125.02456	1.6
131.03500	1.3
139.06648	1.2
139.07663	14.8
140.08038	1.2
141.63109	0.9
143.03491	1.1
150.05617	1.5
157.08690	3.2
161.04515	1.2
179.05698	1.7
192.85825	0.8
196.06105	0.9
257.96774	1.0
319.13959	100.0
320.14285	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	319.1394
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01877	1.8
57.03438	1.2
58.00588	1.4
59.01382	37.0
69.24569	2.7
69.24989	2.6
71.01382	20.8
72.99298	1.8
73.02959	1.4
79.05535	0.6
83.01373	2.2
84.02158	1.4
85.02952	4.7
87.00874	1.5
89.02447	14.1
99.00891	0.6
101.02441	11.7
111.07383	1.0
111.08160	19.5
113.02448	6.3
114.27354	0.6
115.33752	0.6
119.03512	5.1
120.04499	1.0
121.05338	1.3
122.06119	0.7
123.03244	1.6
124.04040	1.5
124.73735	0.5
136.07677	9.0
138.05595	7.1
139.07634	5.0
140.07236	0.9
141.09253	1.0
153.09242	0.7
157.08698	58.8
158.09029	1.8
182.04582	1.0
184.06090	1.6
189.69170	0.6
199.09750	2.2
257.12979	2.1
314.80075	0.6
319.13962	100.0
320.14316	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	319.1396
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
53.11932	1.4
55.01865	3.8
57.03427	4.1
58.00588	4.1
59.01380	99.6
66.15990	1.6
69.03450	2.7
69.19863	12.6
69.20267	3.4
71.01383	71.8
71.05018	3.2
72.99300	5.3
73.02947	17.1
83.01350	9.5
85.02950	25.4
87.00870	3.6
89.02446	47.5
95.01385	6.1
96.95991	3.5
99.00864	6.4
101.01793	3.3
101.02445	57.2
101.15092	1.6
111.00848	1.9
113.01703	2.7
113.02446	27.7
119.03487	20.5
125.02419	3.7
131.03482	2.1
139.07639	5.1
143.03430	3.6
157.08716	8.2
159.02974	3.7
161.04555	13.5
179.05624	2.5
186.40292	1.6
187.02541	1.7
237.55978	1.7
275.15115	9.6
319.13916	100.0
320.14291	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	319.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.4
71.01382	5.3
83.09972	0.9
84.04542	1.6
89.02464	1.2
90.51688	0.8
95.05013	1.8
107.03799	1.2
112.04041	13.3
120.04575	6.8
121.05343	11.8
122.06131	16.2
123.03260	16.3
124.04037	15.7
134.06104	2.4
136.07678	95.9
137.06075	10.9
137.07988	3.5
138.05605	100.0
139.05933	3.9
140.07181	3.4
150.05608	2.6
157.08655	1.7
161.07170	1.0
163.06435	1.4
166.05147	0.9
182.04593	8.1
183.05319	6.0
184.06146	25.4
185.06467	1.5
189.59732	0.8
209.11885	1.0
214.12376	2.3
215.04338	2.1
242.10637	1.8
257.12936	23.9
258.13428	1.6
275.13855	1.0
301.11783	2.9
319.12961	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	319.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.4
71.01382	5.3
83.09972	0.9
84.04542	1.6
89.02464	1.2
90.51688	0.8
95.05013	1.8
107.03799	1.2
112.04041	13.3
120.04575	6.8
121.05343	11.8
122.06131	16.2
123.03260	16.3
124.04037	15.7
134.06104	2.4
136.07678	95.9
137.06075	10.9
137.07988	3.5
138.05605	100.0
139.05933	3.9
140.07181	3.4
150.05608	2.6
157.08655	1.7
161.07170	1.0
163.06435	1.4
166.05147	0.9
182.04593	8.1
183.05319	6.0
184.06146	25.4
185.06467	1.5
189.59732	0.8
209.11885	1.0
214.12376	2.3
215.04338	2.1
242.10637	1.8
257.12936	23.9
258.13428	1.6
275.13855	1.0
301.11783	2.9
319.12961	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	318.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.0
57.03439	1.8
58.00579	3.2
58.99591	4.3
59.01379	75.4
59.99957	2.0
61.98835	1.9
69.67402	1.2
69.91284	1.0
71.01382	53.0
72.99290	5.8
73.02937	2.9
74.02473	1.4
74.08231	1.0
74.99080	8.4
75.99449	1.3
76.98667	1.8
80.05030	2.7
80.96507	6.4
82.03026	1.7
82.96107	1.1
83.01376	4.3
85.02946	11.8
87.00842	4.0
89.02443	44.1
94.98088	2.1
95.01381	4.2
100.04061	1.6
101.02444	28.9
112.04057	6.0
112.07695	20.9
113.02447	21.5
119.03499	17.5
119.96327	1.3
124.04023	10.8
126.05593	1.3
131.03442	2.3
135.98346	1.2
136.01669	1.5
136.99144	9.8
137.02048	1.2
137.99478	3.0
138.05606	25.6
138.98659	1.8
139.04053	1.8
139.60902	1.2
140.07001	1.1
142.05099	12.2
143.03426	2.0
147.43130	1.1
151.04012	2.3
152.07083	1.1
153.01799	1.7
154.05077	1.6
156.02669	1.8
156.05484	1.4
156.06662	22.2
156.07893	0.9
161.04536	3.6
179.05583	3.7
180.06685	1.4
198.07680	1.1
226.00981	1.4
270.61783	1.4
274.13995	1.7
280.11209	4.7
300.11038	1.5
318.06039	15.4
318.11896	100.0
319.05280	3.2
319.12299	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	315.1447
Annotation	Merrilliortholactone
Peak:m/z	Relative Intensity
50.58652	0.6
55.01885	0.7
58.10512	0.6
59.01378	4.9
69.03457	3.4
69.84663	3.1
71.01403	1.4
71.05024	2.3
83.05017	0.9
85.02975	0.7
87.00878	20.4
89.02469	0.8
91.04011	1.8
97.06569	0.6
103.00375	1.6
113.02452	0.6
115.48698	0.6
123.04524	0.8
123.08195	0.7
125.09711	1.8
137.09814	0.7
151.11324	1.5
153.05536	0.8
153.12825	2.0
161.09747	3.3
179.10760	11.6
180.11128	1.0
191.84329	0.5
197.11826	100.0
198.12173	4.9
204.66843	0.6
223.09755	2.5
225.11287	1.2
225.14980	1.1
227.12875	0.6
235.13411	4.7
241.10799	15.0
242.11143	0.9
264.24573	0.6
279.12384	0.9
297.13446	2.9
315.14484	47.4
315.17950	2.4
316.14728	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	316.067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36712	0.2
59.01377	2.8
65.99859	0.4
69.03454	0.2
69.40694	1.8
71.01376	2.6
80.96529	0.4
85.02958	0.4
88.04018	0.4
89.02433	1.6
101.02449	1.1
105.95199	0.2
113.02456	0.6
115.00390	0.3
119.03507	0.9
123.00864	2.3
124.01655	6.2
124.29143	0.2
131.03381	0.3
133.02911	0.4
135.04489	0.4
137.06055	0.6
142.60472	0.2
153.00699	2.5
154.01448	100.0
155.01810	2.7
179.03522	0.4
191.35046	0.2
209.11833	1.0
227.12831	0.4
316.06689	15.3
317.06168	0.9
317.12436	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	317.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34016	0.3
63.96236	0.5
69.82834	0.7
69.83250	0.6
71.01383	4.6
73.02944	0.9
78.98592	3.9
79.95732	5.1
80.96517	41.6
81.03468	0.7
85.02950	1.8
87.00887	1.5
94.98091	8.6
96.95973	0.5
97.02957	1.0
98.19832	0.3
101.02447	1.7
106.98103	2.1
107.27116	0.3
122.97581	1.8
125.02440	2.4
127.03992	0.5
134.97580	3.5
136.99141	1.0
143.20932	0.3
148.99165	3.9
152.98643	4.2
164.98628	7.9
167.00356	0.3
186.77234	0.3
206.99738	2.1
225.00745	13.0
226.01091	0.5
317.05453	100.0
318.05783	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	315.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11090	0.3
51.76680	0.3
54.60756	0.3
70.91137	0.7
74.01276	0.3
109.02933	0.4
122.03747	0.7
123.04523	66.4
124.04831	2.0
153.05573	100.0
154.05914	4.1
201.28152	0.3
226.61488	0.3
240.05626	0.3
274.90558	0.3
315.07532	0.4
315.10828	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	315.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	26.3
61.98798	6.7
67.30153	3.5
67.86260	3.2
69.03455	6.0
69.59132	21.7
93.68719	3.3
96.95972	4.2
108.02207	5.2
109.02938	18.3
120.99646	15.0
123.03728	6.0
123.04539	64.3
134.03731	6.4
153.01979	23.8
153.05583	100.0
185.01146	5.0
207.60361	3.6
217.00392	4.8
227.09140	3.8
254.85686	8.7
272.30753	3.4
315.07187	7.9
315.10397	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	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
70.56534	0.9
81.03436	0.7
108.02173	2.1
109.02950	70.6
110.03292	1.6
123.04526	3.1
134.02190	0.3
152.01208	1.1
153.01938	100.0
153.05458	4.4
154.02272	3.8
154.54387	0.3
194.13200	0.3
218.95030	0.3
222.09262	0.3
296.54822	0.4
315.07230	15.0
316.07538	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1085
Annotation	Taxicatin
Peak:m/z	Relative Intensity
50.67325	0.3
69.76514	1.5
93.03454	0.3
95.05047	0.6
98.34380	0.3
105.69937	0.3
109.02965	1.3
122.03753	0.5
123.04526	67.8
124.04842	1.9
135.04507	0.6
152.02766	0.2
153.01978	1.9
153.05576	100.0
154.05923	3.5
169.39786	0.2
183.42210	0.3
242.01521	0.3
315.07388	0.4
315.10822	4.3
316.11145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49979	21.9
59.01374	54.3
59.31386	22.7
70.49203	30.4
70.49537	47.6
98.20529	28.5
103.07928	21.4
114.76734	26.8
138.00482	25.8
156.91347	23.3
185.00859	27.2
253.09291	70.7
313.16974	100.0
313.23700	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2748
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
57.03448	7.9
57.45206	0.6
59.01368	1.7
66.65379	0.8
69.03442	3.0
70.50418	2.4
74.99065	1.3
79.23757	0.7
91.02211	4.6
98.03750	0.8
98.20593	0.9
98.60812	0.8
111.20104	0.7
137.87582	0.9
160.71948	0.8
185.00658	1.1
238.64410	0.8
251.23891	1.2
253.09123	1.0
267.26895	46.4
268.27118	4.3
295.26361	1.4
313.27454	100.0
314.27866	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	313.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03341	0.5
59.01374	2.5
65.12112	0.6
65.16773	0.6
67.27423	0.6
69.03446	0.6
70.40312	0.7
71.01395	1.1
71.55532	1.2
73.92300	0.5
79.05537	0.8
82.22704	0.5
89.02441	1.0
91.02192	0.9
93.03454	12.7
95.05026	0.6
101.02404	0.6
107.05031	3.6
109.06598	1.3
119.08664	0.6
121.06605	0.8
141.09229	0.7
147.08144	1.8
147.11787	1.2
148.01411	1.2
157.08705	1.0
171.10355	0.8
171.82527	0.6
175.11276	1.0
177.12746	0.6
187.03767	1.3
193.12381	0.6
213.08948	0.9
215.10538	2.3
217.12062	3.4
227.18002	3.4
231.09949	1.6
243.10036	1.6
243.17590	0.7
245.11615	1.2
245.19051	5.1
246.19646	0.7
247.09520	5.4
249.11011	4.7
251.23814	1.5
253.09274	1.7
272.13876	0.8
279.12134	1.5
289.57953	0.6
291.14026	0.7
295.16727	1.3
295.22729	1.3
298.15311	0.7
306.57224	0.6
313.17838	100.0
313.23291	11.6
314.18182	9.0
314.23901	0.9
324.58603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.093
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
57.03448	1.1
58.00599	2.0
59.01379	100.0
60.01710	1.9
71.01382	54.7
71.23775	1.8
72.99309	3.9
73.02941	3.4
83.01409	1.3
85.02941	10.7
87.00871	1.7
89.02442	63.0
89.12203	1.1
90.02796	1.0
95.01379	2.7
95.17178	1.0
99.21320	1.0
101.02444	31.1
107.05021	15.7
113.02447	20.8
119.03503	28.1
123.04512	3.3
131.03494	2.1
137.80101	1.1
139.26057	1.1
143.03479	2.9
149.04530	1.7
150.03156	2.5
150.06839	1.4
151.04028	17.8
161.04582	3.6
179.05634	2.8
192.41653	1.2
201.52834	1.0
211.88110	1.0
253.09201	3.1
313.09253	15.5
324.16086	1.1
325.93951	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01377	0.9
61.98839	0.3
69.96935	0.9
93.03468	0.3
99.04567	0.3
111.90865	0.2
113.02459	0.4
121.02960	100.0
122.03302	3.0
158.62219	0.3
180.05809	1.1
181.06575	4.2
225.05566	6.5
226.06030	0.5
253.09319	1.0
269.07996	0.3
289.68625	0.3
312.22540	0.6
313.07184	17.6
313.23117	0.8
313.27280	0.3
314.07599	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	313.0928
Annotation	Bungeiside B
Peak:m/z	Relative Intensity
51.42492	0.3
51.82200	0.3
56.67663	0.4
58.00584	0.5
59.01375	17.1
62.78528	0.3
70.39920	1.3
71.01002	0.7
71.01382	9.0
72.99320	0.8
73.02942	0.4
74.02483	0.4
83.01344	0.4
85.02944	2.1
85.09420	0.4
87.00872	0.8
89.02437	11.2
95.01404	0.7
101.02445	6.3
107.05025	1.4
108.02202	0.5
109.02959	3.2
113.02446	4.2
114.05595	0.6
119.03491	4.9
123.00927	0.8
123.45496	0.4
124.01675	0.5
143.03578	0.4
150.03181	1.1
150.06796	0.4
151.04001	100.0
152.04341	4.9
161.04549	1.1
163.23820	0.4
179.05624	0.5
186.11298	0.5
253.09291	1.1
276.39801	0.4
313.09259	11.6
314.09677	1.2
314.12903	0.5
317.90912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38416	0.5
56.64328	0.6
57.03446	1.0
58.00589	7.3
59.01375	2.2
65.47159	0.6
70.59870	1.4
73.02940	0.9
95.31086	0.6
97.02943	1.5
98.03240	0.7
98.20554	0.7
109.06583	2.2
125.09710	1.8
127.07649	4.4
127.11268	2.4
137.09737	1.0
148.28960	0.7
155.10844	1.5
165.09253	1.3
171.08981	0.6
171.10196	3.6
173.10725	0.8
183.13893	20.4
195.13907	1.3
197.11858	0.9
199.09671	0.8
201.11316	18.5
202.11652	0.9
211.13396	2.0
213.15018	6.6
223.13383	1.4
241.14403	5.7
275.20245	2.9
291.19583	0.7
293.21063	9.7
294.21506	0.7
311.22244	100.0
312.22629	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17651	0.6
54.24425	0.7
57.03443	1.8
58.00592	0.8
59.01369	1.8
70.31762	0.5
70.83218	1.5
70.99050	0.6
75.93837	0.5
83.05030	1.0
97.06606	0.5
99.08180	3.3
113.09721	3.9
127.11290	0.7
129.09213	6.9
137.37498	0.6
139.11249	2.2
141.09200	0.6
151.11258	1.0
153.12862	1.1
155.10822	0.7
167.14378	0.7
169.12315	2.7
171.10251	8.2
181.12334	4.5
183.13873	1.8
193.12347	1.6
197.11806	9.4
199.13388	5.6
201.11372	1.4
211.13383	18.3
212.13782	0.9
242.07899	0.6
275.20218	1.8
293.21246	13.3
294.21661	1.5
311.22263	100.0
312.22598	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49684	0.4
54.09153	0.3
59.01371	0.7
62.48138	0.3
65.26643	0.3
71.54688	0.4
95.44473	0.4
99.08156	0.7
113.09714	1.5
115.07652	0.9
127.07658	0.4
128.08449	0.8
128.82883	0.3
129.09204	0.9
167.14421	3.2
171.10309	0.4
181.12300	0.8
183.13857	2.8
195.13889	10.9
197.11836	1.0
199.13293	0.4
211.13396	3.5
213.14963	1.5
242.15184	1.1
247.46617	0.4
249.22345	0.7
265.21622	0.8
275.20154	0.7
283.22681	0.6
293.21210	7.8
294.21503	0.7
297.39890	0.4
301.97998	0.3
311.22253	100.0
312.22604	9.5
321.08984	0.4
327.98401	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01369	0.6
69.34575	0.5
69.54165	3.1
73.39327	0.5
97.06564	0.9
98.19973	0.7
100.88021	0.5
123.08153	1.0
125.09724	3.5
139.11259	1.7
141.09216	2.0
141.12857	1.4
153.09216	1.4
155.14371	0.6
157.12262	0.6
171.10255	1.9
181.16058	0.5
185.11815	0.6
199.09746	0.7
200.10513	2.5
239.23680	1.0
249.22212	1.3
265.21719	1.4
267.23212	0.7
275.20239	0.8
293.21207	7.1
294.21600	0.7
311.22263	100.0
312.22626	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67022	0.9
57.03441	2.3
59.01378	2.0
60.08372	1.1
67.26534	1.1
70.05012	4.9
91.40594	1.1
99.08155	5.6
108.39971	1.0
113.09727	5.6
125.09802	1.2
127.07631	1.5
129.09201	15.1
129.27214	1.1
139.11249	2.6
153.12888	1.7
167.14377	1.8
169.12386	3.0
171.10252	8.6
177.20580	1.0
181.12318	8.4
183.13884	4.0
193.12352	2.3
197.11813	12.5
199.13367	4.4
211.11470	1.9
211.13383	25.3
212.13637	2.6
275.19910	2.6
279.20755	1.0
293.21204	17.6
294.21536	1.7
311.22247	100.0
312.22580	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10310	0.8
57.03447	1.4
71.05015	1.3
71.12077	0.8
71.12407	1.5
75.63172	1.0
99.08126	1.3
108.85726	0.8
113.09760	1.7
129.09212	2.0
139.11252	4.7
151.11336	1.0
151.38687	0.8
161.94644	0.8
165.12831	1.0
171.10242	8.6
177.12779	1.7
181.12338	2.2
193.12343	2.3
195.13918	2.4
197.11771	2.0
209.79097	0.8
211.13387	7.6
249.22180	1.6
293.21210	47.3
294.21475	5.6
311.22253	100.0
312.22617	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	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56128	0.6
57.03436	1.0
59.01374	1.2
61.86425	0.5
67.39072	0.5
69.03441	0.6
69.97576	2.6
83.05036	1.4
92.82896	0.6
97.02944	1.0
99.08149	2.1
111.08150	0.6
113.09732	3.1
121.10307	1.1
125.09747	0.7
129.09233	5.4
139.11278	3.9
141.09206	0.6
149.09888	0.6
151.11278	1.2
163.11235	0.8
165.12791	1.1
169.12306	2.5
171.10269	10.6
172.11885	0.7
181.12357	3.2
183.13818	1.3
185.11783	1.5
193.12325	6.9
197.11816	6.2
199.13342	3.4
209.11771	1.3
210.71873	0.6
211.13393	16.7
249.22211	1.0
265.21823	0.6
275.20132	1.0
293.21216	20.1
294.21536	1.1
311.22253	100.0
312.22675	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	311.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93783	0.4
52.92864	0.4
53.17190	0.4
56.65752	0.4
59.01376	100.0
60.01720	0.9
69.73864	2.6
71.01385	2.2
73.02938	1.2
73.78833	0.5
77.28072	0.4
81.23961	0.5
85.02943	0.8
92.08091	0.5
101.01856	0.5
101.02389	2.4
108.74099	0.5
109.02969	0.5
113.02459	1.2
130.65334	0.5
157.42476	0.5
161.04550	1.8
170.37856	0.5
245.98976	0.5
251.11302	5.0
253.04300	0.5
267.50589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01711	0.9
61.98822	0.9
63.77903	0.7
65.67044	0.8
68.16961	0.7
70.39701	1.4
70.40030	1.0
71.01376	7.8
73.02956	2.5
83.01366	1.5
85.02939	3.6
89.02456	2.4
97.32677	0.7
99.00870	1.8
101.02437	9.5
113.02473	4.1
126.90350	1.3
145.04732	0.7
149.39737	0.8
152.93591	1.4
159.03020	0.7
161.04567	8.6
168.91438	3.2
177.69052	0.6
207.36395	0.8
208.99284	0.7
216.53142	0.7
219.08922	0.8
222.29280	0.8
225.65149	0.8
251.11328	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1134
Annotation	Triandrin
Peak:m/z	Relative Intensity
52.02172	0.4
57.03444	0.5
59.01376	100.0
60.01720	0.8
61.98842	0.5
69.61514	2.9
71.01374	6.1
73.02943	1.6
81.46980	0.6
83.01405	1.2
85.02961	2.0
89.02439	2.5
96.96016	0.7
99.00915	2.0
101.02426	4.3
109.02937	0.5
113.02464	2.1
119.43758	0.5
131.03526	0.9
133.02962	0.5
134.03732	15.8
135.04581	3.6
136.01660	6.2
137.02432	1.5
143.03531	0.5
149.02483	0.8
149.04648	0.6
159.03047	0.9
161.04553	2.9
191.05713	1.3
193.05101	0.8
194.05434	0.6
195.05550	1.1
208.03777	1.2
223.06145	1.8
231.10333	2.2
233.08235	1.6
269.10193	3.1
281.09384	1.1
293.10394	0.8
311.10999	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	310.1659
Annotation	Phomaligin A
Peak:m/z	Relative Intensity
53.78280	0.7
59.01374	9.0
61.98820	0.7
67.39806	0.7
71.01377	2.0
71.56259	0.8
76.76088	0.6
78.95901	4.2
81.02183	2.4
82.02996	0.9
84.04527	0.9
85.02953	1.8
94.91154	0.7
96.04546	11.4
96.96011	4.5
97.06533	0.7
97.95266	0.7
101.02444	0.8
109.02979	0.9
113.02486	0.9
125.09706	4.1
135.04561	1.0
150.05569	2.4
162.09186	1.1
162.12816	1.0
163.06314	0.8
163.11279	1.1
166.25874	0.7
171.00600	3.6
180.13963	6.1
197.11795	1.9
206.11810	17.1
224.12891	32.6
225.13228	1.2
239.06961	0.9
241.00253	2.7
248.16519	10.4
249.16925	0.9
251.11588	0.9
262.51688	2.0
264.15991	0.9
266.17743	1.5
270.02795	4.2
274.14447	3.5
284.03186	3.6
292.15527	26.9
293.15781	1.5
299.05582	1.5
310.16586	100.0
311.05563	2.4
311.12860	2.1
311.16922	6.2
327.50720	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.0
58.00581	2.5
59.01379	47.4
60.09950	1.2
61.48907	1.3
62.29507	1.2
71.01383	30.9
71.10957	2.5
72.99281	3.1
73.02508	1.5
73.02936	6.9
75.00881	2.1
80.96538	1.7
85.02955	6.6
87.00884	3.4
89.02448	28.2
92.05061	5.5
96.96011	2.3
99.00884	1.7
101.02451	13.2
106.97122	1.5
108.58005	1.5
109.02950	1.5
113.01759	1.7
113.02440	11.1
115.00350	1.3
116.05032	1.9
118.02992	2.2
119.03503	8.5
119.05020	2.0
120.04531	6.2
121.02976	2.5
122.06106	1.4
131.03658	4.9
132.04590	10.0
132.70963	1.3
133.01431	1.7
134.06131	2.8
135.04520	3.7
144.04535	5.5
146.02483	53.6
146.06091	2.3
147.03273	45.2
148.04048	22.8
149.02451	1.8
149.04442	1.8
158.06119	2.4
159.03291	1.5
160.04034	69.1
161.04430	6.2
162.05644	2.4
172.04089	7.7
174.05611	12.3
179.02220	9.7
179.03476	2.5
179.05576	3.6
186.05576	4.1
190.05177	1.4
190.08688	2.9
200.03554	1.9
200.60820	1.4
202.05080	26.8
205.07181	1.4
214.05092	5.5
216.06619	1.7
231.10184	2.4
232.06157	3.8
310.09311	100.0
311.09607	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	309.2434
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.44326	0.7
57.03444	1.7
59.01381	4.7
71.01385	0.6
71.04995	0.8
71.12268	1.3
79.95785	0.8
85.28600	0.6
96.96008	8.4
102.56413	0.7
107.62872	0.8
111.08169	6.0
113.09731	1.6
125.09706	1.2
137.09735	0.9
151.03951	1.1
151.07625	2.3
152.08403	1.3
169.12364	1.6
171.10223	0.9
179.14403	15.6
197.11841	20.7
198.12146	1.0
209.12019	1.0
209.15437	3.2
211.13428	4.5
227.12802	1.1
233.22890	0.7
263.20151	1.1
275.20242	1.7
277.21716	69.6
278.22076	6.0
291.19659	11.8
292.20004	1.0
309.17230	15.8
309.20728	18.6
309.24316	100.0
310.17679	1.1
310.21152	1.6
310.24600	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	310.0933
Annotation	Taxiphyllin
Peak:m/z	Relative Intensity
50.40504	1.2
58.00582	1.5
59.01379	46.4
60.01691	1.3
69.22963	2.6
69.23363	8.9
71.01379	24.3
72.99301	1.7
73.02946	3.8
75.00877	2.2
85.02946	6.4
87.00855	1.8
89.02454	24.5
92.05058	4.4
95.01404	1.9
101.02443	13.0
113.02460	9.1
116.05053	1.3
118.02975	3.6
119.03493	10.5
120.04581	6.8
130.06598	1.4
131.03683	4.9
131.04982	3.2
132.04543	11.4
134.06139	2.1
144.04584	6.8
146.02481	49.1
146.06142	1.9
147.03268	60.2
148.04077	17.9
149.02415	1.3
149.04379	2.9
149.06082	5.4
150.05704	1.6
158.06065	1.6
159.03221	1.5
160.04039	72.7
161.04410	4.4
162.05592	2.0
172.04056	6.2
174.05632	10.9
179.02203	6.9
179.05594	2.2
186.05582	4.9
196.03951	1.5
202.03233	1.3
202.05107	23.2
204.06622	1.5
204.10468	1.3
213.34224	1.3
214.05151	5.7
232.06116	2.1
279.12399	1.1
281.87949	1.3
310.09317	100.0
311.09677	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34539	1.0
50.92310	1.0
57.03426	1.5
59.01373	5.3
69.03429	0.9
71.01345	0.9
71.39467	2.0
71.44431	1.1
73.27458	1.0
75.05206	0.9
75.86168	1.1
77.77310	1.0
79.95708	1.4
96.96014	15.9
97.02946	2.1
97.06606	1.0
100.05058	0.9
111.08160	8.5
123.08120	1.3
125.09682	1.6
127.11295	1.1
137.09705	1.1
141.12846	1.9
151.03972	2.2
151.07593	4.0
151.11290	15.2
152.08403	3.2
153.12833	4.0
163.11345	1.3
165.12778	1.0
167.10791	1.2
167.14378	2.6
169.12300	2.7
171.10255	3.9
179.14394	6.0
180.01024	0.9
181.12503	1.0
184.07227	1.1
197.10013	1.8
197.11827	32.6
198.12099	1.4
199.13400	2.2
209.11810	1.6
209.15443	5.7
211.13396	5.9
227.12781	1.2
227.20210	1.5
247.20496	1.8
247.33170	1.0
251.16559	1.4
263.20105	1.7
265.17993	2.3
277.21707	23.8
278.22092	2.2
279.23257	3.9
291.19669	21.6
292.20041	2.1
309.17215	27.6
309.20673	33.0
309.24298	100.0
310.17709	1.2
310.21133	2.1
310.24667	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	309.2436
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
57.03453	2.2
59.01376	9.4
59.02948	1.3
61.98813	1.6
62.68939	1.3
66.50041	1.2
69.03452	1.3
69.88213	6.2
71.01364	1.9
92.92794	1.6
96.96001	17.0
97.02990	1.6
97.06561	1.6
111.08176	11.9
125.09718	1.7
151.03976	2.7
151.07625	3.2
152.08360	4.6
169.12340	2.5
171.10257	1.7
181.12427	1.8
197.11833	37.1
198.12071	2.2
204.89616	1.4
209.11807	2.2
209.15411	6.5
211.13438	7.4
240.40225	1.3
247.20915	1.5
247.83623	1.6
252.10014	1.8
263.20190	2.1
265.18024	1.9
277.21713	100.0
278.21988	10.4
284.75003	1.6
291.19641	19.8
292.19894	1.7
309.17224	25.9
309.20651	30.0
309.24344	59.7
310.17566	2.5
310.21182	2.8
310.24689	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	309.2434
Annotation	AS 183
Peak:m/z	Relative Intensity
57.03434	1.0
59.01385	2.8
69.33620	3.4
71.01366	0.6
79.95739	5.7
92.99191	0.5
94.98088	0.5
95.95235	1.4
96.96008	60.7
100.74943	0.4
111.08137	1.5
122.97580	2.2
125.09655	0.6
127.11267	1.9
133.32332	0.5
151.07648	0.7
165.12808	0.5
169.12234	0.7
177.12790	1.0
179.14392	1.3
179.43285	0.4
181.12267	0.8
183.13789	0.6
195.13889	17.9
196.14273	1.2
197.11795	6.4
209.11823	0.5
209.15361	0.7
211.13400	1.1
273.18610	0.5
291.19632	4.6
291.23242	18.1
291.59918	0.5
291.75433	0.5
292.23636	1.8
309.17325	75.8
309.20889	7.3
309.24277	100.0
310.17764	6.1
310.21194	1.0
310.24631	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51918	1.2
57.03439	1.3
59.01369	1.9
59.40800	1.1
69.68295	2.8
69.68707	4.1
71.05007	2.0
80.02670	5.4
81.03442	3.5
82.63866	1.4
83.05028	16.5
84.02185	6.0
97.02950	1.6
97.06582	3.5
98.40379	1.2
99.08160	4.5
99.45063	1.3
111.08143	3.4
113.09683	1.3
115.07645	4.1
123.04520	1.5
125.09722	4.1
127.11298	2.9
137.09720	32.1
138.10121	1.8
139.11298	6.0
148.05266	4.3
151.11293	3.2
152.08508	1.1
153.09196	5.3
153.12839	1.4
155.09578	2.1
155.10789	32.0
165.12846	1.5
167.10809	2.9
171.08807	2.1
171.10271	36.3
180.04294	6.0
193.12337	16.3
197.11848	8.2
209.11809	5.1
211.13416	4.7
221.11852	2.0
235.35762	1.2
247.20718	7.0
260.80551	1.2
263.20160	3.7
265.21713	64.5
266.21988	4.7
269.35754	1.3
273.18671	1.7
281.21210	2.3
281.37540	1.1
291.19659	66.0
292.17175	1.2
292.19916	6.3
309.20688	100.0
310.21042	8.0
327.57370	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.02668	1.3
55.24214	1.2
57.03439	2.4
59.01368	2.1
69.03443	1.4
69.29627	10.8
71.05019	15.1
81.03465	1.3
87.33497	1.2
97.06602	6.7
97.07127	1.2
107.05088	1.3
111.08152	2.0
117.21525	1.2
119.08688	1.2
121.10223	12.5
125.09734	8.1
135.08058	1.4
137.09715	16.7
137.78085	1.3
141.12871	1.6
151.11290	1.2
171.10248	34.7
185.11826	14.4
196.30467	1.3
197.11841	9.0
208.62057	1.1
210.44408	1.2
211.13313	2.0
219.13766	3.1
235.17065	1.7
237.14864	2.1
251.16505	40.1
252.16907	1.6
273.18622	2.2
291.19641	85.0
292.19995	8.3
309.20685	100.0
310.20984	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	309.2069
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.73698	1.1
57.66536	1.1
63.21537	1.1
69.81664	2.5
69.82064	5.6
81.03457	2.6
83.01383	1.6
89.79007	1.1
97.02946	1.2
97.06567	2.5
98.19976	1.9
101.42597	1.2
111.08158	3.1
125.09703	3.4
132.10301	1.2
139.11295	4.1
146.36720	1.1
163.11253	3.0
165.12845	5.7
165.52901	1.0
167.10754	2.3
169.12404	1.3
171.10291	1.1
179.14398	2.0
181.12332	1.8
181.42006	1.2
197.11792	3.3
209.11838	12.6
211.13197	1.2
247.20653	10.8
263.20132	1.4
265.21704	18.0
273.18573	2.5
281.20901	1.1
291.19638	57.0
292.19928	3.7
309.20676	100.0
310.20972	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
57.03451	17.7
59.01379	6.5
59.84412	1.1
69.03456	5.1
71.01377	10.3
71.05019	1.5
72.91377	1.1
80.02682	2.6
80.74499	1.1
81.03446	2.5
82.66805	1.1
83.05025	6.2
84.95824	1.1
93.03472	1.3
95.05024	4.6
97.06593	6.5
109.06573	1.4
111.08150	6.7
113.09725	10.8
125.09722	2.6
128.24275	1.2
139.11275	2.9
140.57716	1.3
147.11794	1.9
149.09627	1.6
151.11279	35.3
151.12500	2.2
152.11598	2.6
153.12891	3.5
155.10826	1.4
163.11240	5.2
165.12846	39.1
166.13196	2.9
167.10808	1.5
169.12399	1.4
177.09251	1.5
179.10820	7.4
179.14471	1.9
181.12332	44.1
182.12706	2.2
191.10799	16.7
197.11781	3.6
209.11810	100.0
210.12184	7.0
211.13394	5.2
216.21051	1.3
227.12796	1.4
247.20671	9.6
263.20181	5.5
265.21640	6.0
273.18750	1.8
281.21240	5.2
291.19653	20.6
292.19891	2.0
306.98563	1.3
309.20703	19.0
310.21146	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.4
58.00590	2.0
59.01393	2.3
59.17771	1.2
69.03446	2.5
69.75200	5.7
70.42467	1.0
73.02951	1.3
82.90086	1.0
83.05056	1.2
97.02957	4.9
109.06574	2.7
111.08163	36.9
127.07681	4.3
137.09741	2.1
151.11272	1.5
153.09138	1.7
153.12820	1.8
167.10789	1.7
169.12334	6.8
171.10292	4.4
181.12338	2.8
183.13849	2.6
195.13866	1.8
197.11832	100.0
198.12143	6.4
199.13397	4.6
211.13379	21.0
225.14952	3.1
227.12970	2.8
237.15065	1.6
247.20575	2.6
263.20187	4.4
265.18182	2.4
273.18539	2.6
291.19650	44.9
292.20007	5.0
304.57269	1.2
309.20724	62.6
310.21149	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
57.03449	1.4
59.01384	2.1
63.42866	1.4
66.02671	1.3
66.37091	1.3
67.01869	2.1
68.13843	1.5
69.18914	2.6
69.19315	11.1
71.05007	3.7
75.88651	1.3
93.07068	1.7
97.06568	2.6
103.65106	1.3
121.10212	8.6
123.08175	1.9
125.09711	8.1
137.09732	1.9
166.79976	1.3
167.14407	1.3
171.10242	3.2
185.11760	9.9
195.13867	5.7
197.11807	3.8
207.13937	1.5
207.17542	3.7
211.13377	63.5
212.13696	3.4
221.15536	3.1
223.17018	13.9
233.15451	8.7
246.71228	1.5
251.16499	49.4
252.16872	3.5
263.19937	1.6
273.18640	2.6
291.19635	100.0
292.20032	11.4
303.13821	1.5
309.20694	60.2
310.21118	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	309.207
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
57.03435	2.4
59.01375	2.4
69.03442	2.6
71.05009	7.0
83.05026	1.4
97.02951	7.7
97.06570	4.3
97.25497	1.1
103.12892	1.1
106.38748	1.2
107.05045	1.6
111.08169	3.5
119.08617	1.8
121.10223	7.4
123.04514	1.4
123.08139	1.8
125.09710	5.2
137.09724	9.2
141.12808	1.5
151.11253	2.2
163.11320	1.9
165.12811	3.2
171.10255	20.9
181.12350	2.5
185.11815	8.3
193.16029	1.7
197.11835	9.4
209.11876	2.6
211.13342	2.0
223.13379	2.3
227.12881	4.5
237.14975	1.7
242.98207	1.1
247.20638	4.4
251.16533	20.1
273.18628	2.4
291.19644	88.9
292.19974	8.2
298.26965	1.2
309.20694	100.0
310.20984	9.1
313.16760	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.0
57.79391	1.2
59.01373	3.7
62.65977	1.2
69.03442	2.0
71.05014	1.6
77.95959	1.3
81.03469	2.4
83.01383	9.8
83.05038	5.5
91.76930	1.1
95.04995	1.4
97.06596	4.3
98.03725	1.8
98.20644	3.4
111.58609	1.4
123.04519	3.6
123.08129	6.5
125.06074	3.2
125.09715	12.4
135.91795	1.3
139.11299	11.3
141.12762	1.7
143.51628	1.3
153.12857	1.3
163.11278	9.7
165.12866	13.5
167.10750	5.8
171.10170	2.1
181.12346	4.8
183.13887	2.1
191.10745	5.0
193.12230	2.0
193.15961	5.3
207.83922	1.2
209.11833	66.6
210.12195	4.3
223.13496	1.3
247.20667	13.7
262.06006	1.4
265.21719	4.6
273.18506	3.1
291.19647	100.0
292.19995	7.8
309.20676	39.6
310.21033	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	309.207
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.90367	1.6
57.03446	20.1
59.01376	6.7
69.03448	4.6
69.20414	14.7
69.20817	2.5
71.01373	11.5
80.02679	2.5
83.05035	5.4
88.42570	1.9
95.05018	3.0
96.91626	1.8
97.06593	6.8
101.97897	1.8
108.49064	1.5
109.06561	2.1
111.08147	9.2
113.09029	1.8
113.09718	10.8
123.08178	2.4
125.09747	3.3
137.09698	2.1
139.11348	2.9
145.72739	1.7
147.28937	1.7
149.09671	2.8
151.07581	1.6
151.11275	35.0
152.11552	3.3
153.12843	3.5
163.11252	5.9
163.90187	1.9
165.12849	42.4
167.10757	5.2
179.10760	7.3
179.14343	1.8
181.12334	45.0
182.12698	2.5
191.10802	19.5
193.15904	2.2
195.10402	1.9
197.11853	10.6
209.11806	100.0
210.12021	4.1
211.13376	7.8
211.38460	1.7
237.40802	1.7
247.20645	10.7
263.20151	5.0
265.21692	6.3
273.18878	2.7
281.21173	6.7
291.19647	20.3
309.17270	4.0
309.20630	29.9
310.20877	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.2
58.39652	1.0
59.01383	1.0
63.96452	0.9
69.69972	4.6
78.21156	0.9
95.05016	0.9
97.06558	1.5
98.24531	0.9
113.09760	1.0
115.07661	1.5
125.06098	1.3
141.09203	2.0
141.12766	0.9
165.12814	3.4
181.12334	2.6
193.12415	1.5
195.13866	2.4
211.13365	3.8
221.15311	1.1
240.13646	1.9
247.20679	4.0
273.18564	3.5
281.21188	1.5
291.19659	36.4
292.19965	3.7
309.20697	100.0
310.20956	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39023	1.4
57.03448	2.0
59.01358	2.2
69.03456	3.4
70.33311	5.4
83.05017	1.7
97.02951	12.8
111.08147	11.4
137.09717	3.6
163.11311	3.2
165.12811	7.6
169.12332	2.2
171.10262	6.9
181.12228	2.7
193.15997	3.4
197.11821	38.2
203.38892	1.6
209.11780	4.7
209.15419	5.6
211.13385	5.5
223.13393	1.8
223.17018	5.1
227.12825	7.9
247.20641	8.6
251.16508	6.8
263.20145	2.3
273.18655	5.5
291.19650	100.0
292.20023	8.0
309.20694	79.3
310.21075	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88516	0.8
57.70486	0.6
58.00593	1.3
59.01361	0.7
66.32806	0.6
69.03452	1.1
69.18197	6.9
69.18533	0.8
73.97799	0.6
93.07092	0.7
97.06623	0.7
98.19834	1.5
111.08165	23.9
112.08516	0.9
116.84519	0.6
127.07629	2.3
131.20288	0.6
149.38947	0.7
151.11311	0.9
153.12848	1.1
169.12277	3.4
178.48492	0.7
179.10645	0.7
181.12370	1.8
183.13937	1.5
197.11829	100.0
198.12135	4.1
199.13362	4.4
209.11871	0.6
211.13408	8.0
212.13802	0.8
227.12895	3.3
247.20695	1.3
263.20169	7.4
264.20306	0.7
265.18100	2.8
265.98560	0.8
273.18661	1.2
291.19666	23.1
292.20041	1.5
309.20721	48.7
310.21060	3.9
330.46695	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68882	0.5
59.01377	23.0
60.45323	0.5
61.98812	0.7
69.36459	1.0
69.36862	3.8
83.05063	0.5
85.02913	0.6
96.96015	3.0
99.00858	0.6
111.08148	2.3
116.31037	0.5
141.09093	0.5
151.07634	1.5
152.08401	1.4
169.12328	0.8
171.10268	0.8
197.11818	9.4
199.13458	0.7
202.44891	0.5
209.15514	2.7
211.13399	2.2
227.20154	100.0
228.20482	7.1
265.17975	0.6
291.19669	5.3
292.20145	0.6
309.17212	7.7
309.20560	30.0
310.17609	1.0
310.20932	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20490	1.2
59.01397	1.2
64.17094	1.4
67.95020	1.1
69.03459	2.8
69.69398	7.1
71.16457	1.1
81.87539	1.5
83.05010	1.4
92.35734	1.1
97.02954	10.1
97.06608	1.5
98.45517	1.3
111.08144	1.4
123.08166	1.4
125.09729	1.4
137.09721	5.1
163.13811	1.2
165.12895	6.1
171.10300	7.8
193.12352	5.1
193.15939	1.7
195.13943	6.3
197.11874	3.2
209.11792	2.7
211.13481	2.5
221.15381	6.0
223.13341	2.0
227.12900	5.0
233.15469	2.1
239.16380	1.4
247.20679	5.7
251.16528	3.4
259.68631	1.2
273.18726	3.7
291.19659	93.0
292.20001	10.6
309.20709	100.0
310.21057	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59848	0.7
61.95894	0.6
62.98531	0.6
69.51873	2.9
69.52280	1.9
71.01379	21.0
76.19556	0.7
78.54513	0.7
89.03969	2.5
115.00381	7.3
115.57052	0.7
117.03477	5.8
134.03734	70.2
135.04074	2.2
137.02426	1.6
149.06053	6.2
169.47153	0.8
178.02699	5.2
193.05037	100.0
194.05353	4.6
268.85565	0.7
284.10193	0.8
288.97174	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	72.3
61.98817	16.0
63.95910	10.6
69.17959	95.1
69.18369	14.3
71.01398	17.3
91.09700	9.8
96.95990	39.5
97.06657	15.0
101.02434	13.4
111.08131	17.7
131.64211	13.6
133.02965	20.5
134.03745	20.4
135.04489	17.8
169.90338	9.8
197.11742	24.5
210.11145	10.2
222.51984	11.8
241.00188	14.0
252.79100	10.2
262.51505	12.5
270.02899	16.5
284.03360	13.4
291.19583	26.8
309.14691	20.2
309.20547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1191
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
58.00595	1.5
59.01378	100.0
60.01705	0.9
61.98828	3.0
68.01383	0.8
70.09386	2.6
71.01382	20.3
72.99301	1.6
73.02963	2.2
83.01410	1.0
85.02937	6.6
87.00900	1.1
89.02440	23.8
95.01377	1.0
98.20663	0.8
101.02439	13.5
101.06109	1.0
113.02440	6.1
119.03498	8.2
129.05595	8.6
130.08737	10.6
131.03493	0.8
136.96738	0.8
143.03523	1.6
144.74568	0.8
147.03235	1.1
147.06636	7.1
148.98622	1.7
150.94785	1.5
161.04523	2.5
164.96399	2.4
166.96152	0.8
174.96510	2.3
179.05600	3.3
186.03201	0.8
190.94357	1.5
192.95792	1.5
195.15425	0.9
248.94981	0.9
291.19583	1.0
308.90897	1.2
308.93945	1.1
308.97021	1.0
309.11884	62.6
309.20615	1.6
310.12146	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	309.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.35776	0.7
60.01702	0.9
60.28961	0.7
61.98822	2.1
71.01388	2.3
71.55318	1.3
72.69756	0.7
79.14007	0.7
84.66588	0.7
96.96010	4.4
133.03035	0.8
134.03694	0.9
135.04518	0.9
137.09741	0.8
149.02487	1.2
161.13354	6.5
193.05064	1.2
197.11819	1.6
205.12334	25.5
206.12656	1.2
209.11803	1.7
223.13402	1.2
226.73161	0.7
227.12970	2.2
241.00293	1.4
249.11284	5.5
270.02936	2.8
280.11179	0.9
284.03421	2.0
291.19916	1.3
309.10266	0.9
309.20541	4.2
310.16742	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	307.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56469	0.6
57.03439	0.9
59.01378	5.6
71.01392	3.1
83.04992	0.9
96.96019	0.8
98.19894	2.8
100.00313	0.6
103.03990	0.9
123.08142	0.7
125.09690	1.5
149.09641	1.3
151.11269	1.0
157.05019	0.7
165.12715	0.9
165.47279	0.6
177.09210	0.8
177.16473	0.8
195.33583	0.7
209.11859	1.7
226.09648	0.8
231.21127	4.4
236.46400	0.7
245.19148	1.6
247.33151	0.7
275.20148	100.0
276.20496	9.4
283.83987	0.7
289.18185	6.0
290.18445	0.7
307.09973	0.6
307.19193	3.9
307.22769	16.7
308.23135	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.264
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
50.20045	0.6
52.49388	0.7
55.93225	0.7
59.01373	1.3
69.66580	4.7
71.01370	0.8
81.60845	0.6
86.99474	0.7
103.04085	0.7
130.26588	0.6
135.04584	1.2
163.05493	0.7
179.03561	1.2
289.17847	0.8
307.26416	100.0
308.26770	8.8
313.86792	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21893	1.1
55.01868	1.5
56.62933	1.0
59.01377	100.0
61.98811	1.3
69.03457	18.6
71.01376	8.0
71.54345	1.7
72.01694	1.3
73.02940	2.4
83.01385	1.1
85.02945	2.6
88.98781	2.9
89.02422	3.7
95.01366	1.3
96.00913	1.0
96.95985	2.4
97.02946	2.9
99.00877	4.7
101.02405	5.3
110.02449	3.0
113.02457	2.4
119.03489	2.0
122.02397	1.7
128.13539	1.1
138.92772	0.9
148.06525	1.5
154.06207	1.0
159.03017	1.3
161.04512	2.7
163.30669	1.2
181.59183	0.9
185.00899	7.4
206.73920	1.1
270.01025	1.2
291.19696	1.3
308.04562	1.1
309.11777	4.2
309.15369	1.1
309.20663	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	307.1914
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03440	13.1
58.76540	3.3
59.01367	7.5
69.40677	22.3
71.01382	13.1
71.05032	3.5
83.05022	6.1
95.05034	5.3
97.06579	19.9
109.06573	6.8
111.08150	11.8
123.04491	4.9
125.09737	5.7
151.11263	25.1
153.09218	5.3
155.10774	11.5
163.11269	5.5
165.12831	34.9
167.10751	8.2
169.12331	5.5
179.10751	10.2
181.12337	42.8
191.10773	21.6
191.14444	6.8
202.46931	4.3
209.11812	97.2
210.12151	9.2
211.13347	10.0
224.10626	3.3
245.19054	37.6
263.20059	11.0
279.19595	7.7
279.74200	3.9
289.18094	54.6
290.18506	6.0
307.19131	100.0
308.19812	7.8
315.57370	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	307.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45243	0.9
57.03431	3.3
59.01376	4.2
63.78431	0.7
64.91853	0.6
65.71287	0.6
67.82489	0.7
71.01382	1.6
71.55251	1.0
89.26262	0.7
96.96000	0.9
99.22845	0.8
101.33438	0.7
109.06561	0.9
111.08099	0.9
123.08182	1.3
127.11302	12.6
149.09743	1.6
151.11287	6.3
152.11708	0.8
153.12834	2.5
167.10735	0.8
177.12852	5.2
177.91774	0.8
179.14410	1.5
191.14386	0.9
195.13863	1.7
197.11816	4.8
205.15926	1.7
209.11720	0.9
231.21094	1.6
245.19205	1.2
263.23682	1.0
275.20135	31.5
276.20413	3.9
289.18076	3.2
307.22748	100.0
308.23093	10.1
323.88245	0.8
328.24939	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01660	0.5
57.03442	1.5
59.01377	6.2
62.94533	0.6
69.03434	0.8
69.74840	1.1
69.75243	2.7
70.54665	0.7
71.01375	1.5
71.05016	1.1
95.05025	1.6
96.97989	0.6
97.06606	1.0
98.20624	1.1
111.08179	0.9
113.09728	0.8
125.09735	0.6
132.02197	0.6
135.04539	0.9
137.09663	0.8
137.62216	0.7
139.11238	0.7
163.11235	0.7
167.10713	1.5
177.12823	4.6
177.16489	1.2
179.10748	0.9
179.14403	11.2
195.13872	3.0
205.12347	3.2
205.15942	6.8
209.11876	0.7
223.13387	15.4
231.21136	4.9
232.21140	0.6
245.19005	0.9
257.19250	1.0
275.20135	67.9
276.20511	5.1
289.17999	4.3
290.18396	0.6
307.22751	100.0
308.23080	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26891	1.9
57.03434	3.1
59.01384	4.8
69.41078	9.6
69.41496	5.1
83.01424	4.0
97.02961	3.8
97.06607	6.2
123.04530	7.6
123.08189	2.9
125.09756	13.5
131.58328	2.0
137.09718	8.2
141.12881	2.5
150.18639	2.4
163.07637	2.3
163.10074	2.4
163.11288	11.9
165.12825	3.6
181.93054	2.1
185.11835	14.6
191.14395	19.1
192.14754	2.3
195.00616	2.4
195.86299	2.2
207.10277	5.2
209.11852	52.2
210.12343	2.4
218.36432	2.3
225.11348	9.5
245.19093	43.5
246.19379	4.4
263.20093	2.7
271.17007	4.4
289.18100	100.0
290.18372	10.0
307.19171	53.4
308.19601	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	16.9
59.01370	6.5
60.26480	2.7
69.03426	2.5
69.81233	12.5
71.01386	11.0
71.05013	2.8
80.02673	4.0
81.03469	3.2
83.05021	11.1
95.05037	8.2
97.06590	19.9
98.20606	3.1
109.06570	4.7
111.08131	16.4
123.04518	5.6
123.08071	4.5
125.09760	4.9
137.06110	3.9
138.06815	3.2
149.09744	7.6
151.11284	32.2
153.09224	4.0
153.12852	5.1
155.10789	11.4
163.11252	5.9
165.12831	42.2
167.10785	6.8
177.12802	3.6
179.10739	11.5
181.12328	44.0
182.12610	3.7
191.10782	20.5
191.14420	6.2
193.99530	2.9
195.10191	2.4
197.11841	4.0
205.12297	3.1
205.42484	2.7
209.11810	100.0
210.12131	5.9
211.13412	9.7
224.10504	3.5
239.09279	4.2
245.19070	36.0
246.19464	3.6
263.20154	10.5
271.17111	3.7
279.19653	9.7
289.18042	42.9
307.19138	68.7
308.19467	6.7
317.56583	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	307.1915
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
52.94298	1.0
54.04556	1.0
57.03439	1.0
59.01383	6.3
66.82555	1.0
69.37775	5.9
69.38187	1.8
71.01391	2.0
71.05023	7.2
83.05035	1.4
87.04498	1.8
95.05029	1.4
97.02980	1.1
97.06599	1.9
98.03706	1.4
98.19954	2.4
99.04514	17.3
99.08208	1.4
101.06050	1.8
105.94240	1.2
109.02975	1.4
109.06610	1.7
123.00783	1.2
123.08137	6.9
127.07626	5.8
137.09767	1.6
138.06952	2.4
149.09644	1.8
151.11278	2.2
191.14526	1.2
195.13895	4.3
207.13866	3.1
221.15469	15.7
223.13411	1.2
233.15508	3.1
245.19072	10.1
251.16495	4.6
263.20105	1.8
271.17078	3.8
279.19412	2.1
289.18079	75.0
290.18436	6.5
307.19131	100.0
308.19458	6.6
317.40598	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.4
59.01373	7.9
63.16393	1.9
67.01900	2.8
69.03469	3.2
69.80860	6.8
69.81260	4.9
70.50963	2.3
79.13908	2.6
80.02717	2.3
81.03437	6.1
83.01395	8.6
83.05042	3.7
88.03593	2.2
95.05014	5.3
97.02949	6.2
97.06580	7.2
97.99592	2.0
109.06564	2.5
121.06647	2.9
123.04544	7.2
123.08169	4.5
125.09747	23.4
126.55054	2.5
135.08176	5.3
137.09744	13.3
149.06062	2.2
151.42651	2.3
163.07639	2.4
163.11293	19.3
165.12854	5.0
167.10703	2.3
177.12816	4.0
181.12289	3.1
185.11823	24.8
191.10724	4.5
191.14406	19.8
199.09712	2.6
207.10268	11.9
209.11807	49.0
211.13481	2.2
217.15987	3.6
225.11299	9.4
229.86343	2.3
245.19092	54.4
246.19440	4.2
263.20041	3.0
271.17047	5.2
289.18088	100.0
290.18436	8.5
307.19165	56.5
308.19470	6.4
309.77026	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	307.1913
Annotation	Soraphen O
Peak:m/z	Relative Intensity
57.03413	0.5
59.01352	0.7
69.03425	0.7
69.20967	4.2
71.05023	3.2
80.02649	0.8
81.03448	1.9
83.05017	1.0
95.05025	0.9
98.03752	1.0
107.17736	0.5
109.02959	0.5
109.06597	7.9
111.04504	4.3
111.08163	1.0
123.08183	1.0
127.07625	1.8
132.27129	0.4
143.10793	1.4
145.06583	1.2
151.11327	0.6
167.10847	1.4
178.18063	0.6
179.10754	0.8
181.12383	0.7
195.13904	1.8
235.13429	0.9
245.19046	4.2
251.16585	0.6
271.16916	0.8
287.16513	1.5
289.18085	100.0
290.18402	9.4
307.19186	8.0
308.19299	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.6
55.45478	0.6
57.03444	0.6
58.00581	1.0
59.01377	100.0
60.01718	1.0
60.39191	0.6
69.51240	4.7
71.01379	18.5
72.99294	1.5
73.02936	1.1
80.96546	0.8
81.22890	0.7
83.01392	1.1
85.02957	2.9
89.02438	18.3
95.01381	1.3
96.96013	2.3
98.19894	1.3
101.02435	11.9
107.05058	0.9
113.02440	6.1
115.05179	0.8
119.03500	7.9
119.04974	1.0
119.54430	0.7
120.99656	4.4
121.02904	0.6
127.07655	3.1
135.04558	1.6
143.03531	0.8
145.08704	3.3
149.74678	0.6
157.04964	0.7
161.04568	1.0
179.03502	2.0
179.05634	0.7
219.10574	1.3
265.13016	0.8
291.10675	0.8
307.08621	1.4
307.14041	30.8
308.07718	0.9
308.14316	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	307.1914
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.13007	2.0
51.74076	1.7
55.01872	3.9
57.03440	7.2
59.01365	6.0
65.03633	3.6
65.03960	52.9
69.03448	3.2
69.19533	14.1
69.19944	4.2
71.01380	2.3
71.05018	34.3
74.56984	1.8
80.02679	2.3
80.60083	2.0
83.05032	9.0
85.06595	3.3
91.51490	2.1
92.49050	1.8
93.03456	12.9
97.06585	65.5
98.06911	3.1
98.19920	4.1
106.04226	2.6
109.06586	3.6
111.04490	2.3
111.08149	1.8
113.35858	2.1
117.07101	14.4
119.05052	4.0
119.08662	30.8
120.05743	2.3
120.09054	2.6
121.06596	85.8
122.06913	2.9
122.92879	1.9
123.08145	5.5
125.09724	51.2
125.42525	2.0
133.06601	3.6
135.08154	57.5
135.70961	1.9
136.08504	1.9
137.09720	5.4
138.06830	5.5
165.12782	2.6
171.10265	49.4
172.10620	2.5
185.10229	4.1
185.11830	64.9
186.12088	3.3
191.14285	2.4
209.11818	32.8
209.13754	2.7
210.12112	2.3
211.13383	35.1
217.12309	2.7
233.15416	7.4
235.13374	76.8
236.13696	6.3
245.19141	9.0
249.14990	15.4
258.79272	2.0
271.16998	4.2
279.19559	4.5
289.18076	100.0
290.18445	7.9
307.19125	65.1
308.19434	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	307.1396
Annotation	NSC-224070
Peak:m/z	Relative Intensity
57.03437	1.2
58.00577	0.9
59.01377	100.0
60.01720	0.8
65.41434	0.8
67.08060	0.7
69.30416	5.5
69.30830	1.8
71.01380	15.0
73.02946	1.1
83.01400	1.4
84.42387	0.7
85.02952	4.3
87.00876	0.9
88.04055	2.2
89.02439	11.9
95.01369	1.4
99.08186	1.7
101.02440	9.0
103.68242	0.7
111.00921	0.7
113.02442	4.3
114.02019	1.1
115.00402	1.3
119.03497	3.8
120.99672	10.9
127.07642	4.2
132.03033	12.3
134.03749	1.2
135.04527	1.2
144.36024	0.7
144.98361	0.7
145.08717	12.3
145.56746	0.9
161.04552	0.8
271.26202	0.9
274.34821	0.7
307.13983	61.6
308.14233	5.2
313.64813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1398
Annotation	NSC-224070
Peak:m/z	Relative Intensity
50.22379	0.6
55.01884	1.3
58.00586	1.7
59.01377	39.0
60.53279	0.6
69.03455	13.8
69.39122	4.8
71.01378	20.3
72.99310	2.2
73.02940	1.3
79.01898	0.8
83.01395	1.3
85.02964	4.3
87.00922	1.3
89.02444	18.7
95.01379	1.6
97.02946	2.5
99.00868	3.8
99.08157	21.9
100.65846	0.6
101.02444	12.2
102.66181	0.5
113.02448	7.3
113.09709	0.7
119.03488	7.0
127.07650	5.3
129.09236	2.3
134.88570	0.6
135.04575	0.9
141.01924	1.6
141.09200	2.6
145.08704	61.0
146.09053	1.6
179.05577	0.9
185.00929	5.3
187.09795	2.1
194.35786	0.6
201.28717	0.6
295.61606	0.5
302.16965	0.6
307.13968	100.0
308.14264	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	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.2
59.96739	0.5
62.94725	0.3
70.59933	1.1
71.01375	0.9
74.99070	6.7
83.47580	0.4
91.02189	2.5
93.00126	1.2
98.20587	0.4
103.03996	0.7
106.28532	0.4
106.47149	0.4
109.06573	0.4
119.38696	0.3
121.70070	0.3
125.09715	0.4
137.72002	0.3
143.05304	0.8
149.00941	2.0
151.11273	0.4
159.08472	6.3
161.06375	1.4
164.76466	0.3
167.10925	0.3
179.03377	0.4
191.14406	0.6
192.98114	0.8
206.99692	1.6
209.01277	2.3
209.11790	0.9
211.13496	0.3
217.07399	0.6
223.02818	48.8
224.02856	4.1
241.03835	0.6
245.19078	0.9
278.09717	0.4
289.07608	1.9
289.18112	3.8
291.09085	100.0
292.09180	11.1
307.12244	3.8
307.15631	0.5
307.19116	2.0
308.12396	0.7
309.10272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
59.96703	0.4
60.97527	0.4
70.92484	0.5
71.01382	0.8
74.99070	5.8
91.02207	2.4
93.00118	1.9
97.06597	0.4
97.76339	0.3
103.03991	0.4
143.05345	0.8
149.00943	2.5
149.83372	0.3
159.08461	7.1
160.08647	0.3
161.06403	1.1
191.14450	0.4
192.98099	0.7
206.99655	1.5
209.01282	2.8
209.11812	0.9
217.07195	0.5
223.02823	49.4
224.02885	4.7
241.03873	0.4
245.19118	1.0
247.08148	0.4
286.99506	0.3
289.07455	1.4
289.18021	3.6
291.09088	100.0
292.09204	11.5
307.12244	3.8
307.19122	3.2
307.22769	0.9
308.12198	0.4
309.10004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01699	0.7
60.41053	0.4
69.82619	2.3
71.01384	2.8
73.01179	0.6
73.02951	1.1
74.99096	0.5
80.91708	0.4
85.02966	1.5
87.00879	0.6
89.02470	1.0
91.94729	0.5
98.20599	0.5
101.02466	1.9
102.72583	0.4
103.04070	0.6
104.05088	0.4
106.62726	0.5
109.02977	2.5
110.18537	0.6
113.02450	0.9
119.05068	0.9
135.04553	2.0
142.97853	1.1
161.04562	1.6
179.03526	1.7
247.11952	2.1
251.55437	0.5
265.13095	0.8
271.08255	0.7
307.13318	0.8
327.03482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1185
Annotation	11beta-Hydroxycurvularin
Peak:m/z	Relative Intensity
56.19170	0.1
59.01383	0.2
61.98823	0.1
71.01373	0.2
71.55143	0.1
73.93089	0.1
77.03981	0.2
84.97902	0.1
89.03944	0.1
93.03461	0.1
94.21723	0.1
95.05025	0.2
97.06589	6.3
97.69735	0.1
98.06937	0.1
105.03473	0.8
106.04248	0.9
107.05077	0.1
109.02982	0.1
110.07768	0.1
111.00864	0.1
111.90971	0.1
117.03453	0.2
120.22350	0.1
121.02946	0.4
123.04523	0.1
133.02962	3.6
134.03738	100.0
135.04573	9.0
136.04832	0.4
136.07625	0.1
137.02444	1.2
139.03981	0.3
149.02371	0.1
150.03224	0.1
162.03145	0.1
162.55032	0.1
177.00285	0.1
177.01926	6.7
178.02702	19.6
179.03407	1.8
187.07646	0.2
217.01459	0.1
223.86960	0.1
231.10262	2.9
232.10551	0.2
256.17273	0.1
261.07623	0.1
275.09241	4.1
276.09552	0.2
290.08316	0.1
307.11844	30.0
308.12186	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	307.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70155	0.2
57.03480	0.3
59.01381	1.5
60.37570	0.2
61.98851	0.2
69.03443	0.3
69.27973	1.3
71.01375	1.2
71.05016	0.5
76.31304	0.2
78.25859	0.2
83.01392	0.2
90.35609	0.2
93.03462	0.9
95.05023	0.7
96.95985	0.4
97.06583	4.4
98.20660	0.3
99.04521	0.2
101.02428	0.3
103.03988	0.2
105.03470	1.2
106.04259	1.7
109.02935	0.3
109.06586	0.7
111.00887	0.4
119.08673	3.6
121.02948	2.6
121.06629	0.5
123.08221	0.2
125.09686	0.6
133.02954	14.6
134.03738	82.9
135.04562	12.2
135.08171	0.8
136.04849	0.4
137.02438	13.7
138.02733	0.5
139.04001	4.4
148.01558	0.3
149.02414	0.6
150.03262	1.6
161.02444	0.6
161.04449	0.4
162.03226	1.5
163.03944	0.3
165.01938	0.5
171.10260	0.2
171.51291	0.2
177.00323	0.5
177.01926	23.7
178.02701	100.0
179.03394	9.1
180.03877	0.3
185.11763	1.3
209.11696	0.4
213.09203	0.6
225.11337	0.3
231.10260	2.5
235.13289	0.3
245.19133	0.3
247.09885	0.5
263.16483	0.2
275.09235	5.0
276.09589	0.5
289.18085	6.4
290.18317	0.4
307.12134	1.3
307.15433	0.4
307.19064	2.8
311.93906	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.8
59.46413	1.4
61.98833	6.0
68.48444	1.2
69.03461	2.7
71.01389	5.2
71.55145	1.8
71.82037	1.1
72.00906	2.6
72.04553	20.3
85.02936	2.0
87.05636	13.7
88.04047	12.8
91.05536	11.2
97.04073	5.0
98.02473	1.6
99.05666	4.0
100.04047	100.0
103.04025	2.1
109.04068	4.3
114.01974	3.1
115.05135	90.9
118.06635	2.8
134.03703	2.0
135.04556	2.9
144.01877	2.8
144.03026	56.9
147.04539	6.6
161.04544	2.3
164.07161	2.9
173.07326	2.1
174.05521	2.4
174.06915	4.2
175.07626	2.3
176.07147	18.1
180.60036	1.2
185.00772	1.9
187.07671	3.2
189.06752	1.5
190.05133	3.2
199.08778	1.5
201.10353	8.0
202.06325	3.4
203.10802	5.4
217.09909	1.6
219.11383	2.7
220.06169	4.9
231.10220	4.3
235.10875	53.3
236.11154	3.1
245.09311	26.7
246.09705	2.0
261.08813	5.8
263.10370	17.3
275.09216	11.5
289.08243	3.8
307.09262	4.6
307.11942	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50179	0.7
55.01880	5.7
59.01376	5.4
67.01894	0.8
69.03453	100.0
69.38495	3.4
69.38914	2.1
70.03783	2.0
71.01377	4.3
72.99325	1.8
75.61104	0.6
79.01887	5.1
85.02944	2.2
89.02441	1.1
95.01388	2.7
97.02946	17.9
99.00873	26.6
99.08160	2.3
101.02448	1.3
113.02443	2.2
119.03527	0.9
121.02959	5.9
125.23650	0.6
127.07580	0.8
141.01939	10.9
145.08731	5.9
153.72560	0.6
185.00900	43.8
186.01274	1.5
204.85127	0.8
280.78085	0.7
307.04593	6.4
307.08011	1.1
307.13998	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	305.2485
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
52.67462	0.2
59.01370	0.6
61.98837	0.4
70.80053	0.6
71.01384	0.5
77.37949	0.3
78.22645	0.3
81.78130	0.2
98.59904	0.2
111.47514	0.2
113.06040	0.2
132.13269	0.2
148.13881	0.3
155.10822	0.4
303.23218	0.4
305.24832	100.0
306.25174	9.8
306.28754	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.9756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04815	0.4
59.01380	2.4
59.44970	0.4
61.98830	100.0
62.98534	1.0
63.99250	0.8
69.19279	3.1
69.19685	0.6
70.92260	0.4
71.01379	0.8
85.03038	0.4
98.19832	1.0
103.03996	1.0
108.64954	0.4
121.02947	1.3
136.96736	1.4
146.95090	0.6
157.04932	0.5
161.04491	0.7
161.98917	1.8
162.96539	0.7
162.98972	1.4
163.01732	0.4
163.98615	2.6
164.96384	48.4
165.96515	2.5
165.97707	0.6
179.03479	0.9
206.97437	19.7
207.97438	0.7
254.59955	0.4
306.97382	16.6
307.00168	2.2
307.97305	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	305.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.5
58.70438	0.7
59.01373	7.7
63.50418	0.8
64.01630	0.7
69.32195	6.1
70.21477	1.0
71.05022	30.6
72.05286	0.9
80.02673	1.2
81.03462	2.5
83.05013	1.7
93.03473	2.9
95.05029	15.8
97.06554	2.4
101.36514	0.9
106.04253	1.3
107.05037	2.3
107.08671	1.4
107.17426	0.8
109.02961	1.9
109.06595	10.7
111.04528	1.8
119.05032	2.0
121.06559	5.2
122.03713	1.4
123.04514	1.5
123.08191	1.3
125.06063	2.0
125.09706	1.7
127.07640	2.6
128.34767	0.8
133.10262	1.0
134.03868	0.8
135.04544	1.3
135.08180	5.8
136.05276	1.0
139.07660	1.2
141.01674	1.6
147.04485	1.9
147.08165	3.0
149.06059	1.6
149.09628	1.4
150.06805	1.0
159.91177	0.7
161.06065	1.9
161.09715	1.5
162.06790	0.8
163.07687	0.9
164.08459	1.7
165.09190	8.6
166.09435	1.0
175.11319	1.2
179.10725	0.8
189.12862	12.5
195.13896	3.0
205.15968	7.6
231.13908	2.4
233.11864	4.3
235.13467	1.3
243.17545	15.1
249.14977	9.2
250.12093	1.4
259.17099	1.2
261.18542	3.8
263.16599	1.9
269.15479	2.2
287.16544	68.1
288.16846	7.0
289.14569	0.8
305.17584	100.0
306.17941	8.9
320.03998	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84193	1.4
55.45360	1.3
59.01373	4.2
71.05029	38.7
71.55018	1.5
71.55371	2.2
80.02682	2.1
81.03472	3.8
93.03468	3.1
95.05025	17.5
97.51752	1.5
101.70181	1.5
106.04230	2.3
106.44862	1.3
107.05038	1.5
109.06590	16.5
111.04531	2.4
118.40327	1.4
121.06583	5.7
121.10355	1.3
123.08105	1.7
127.07632	1.7
135.08170	2.6
139.07632	1.5
147.08150	3.2
150.06786	1.7
161.06093	2.4
161.09689	1.8
165.09210	11.9
181.30084	1.5
189.12860	15.7
205.15956	8.3
215.10594	1.5
231.13872	3.7
233.11844	8.1
243.17529	11.6
244.17953	1.4
249.14957	11.6
263.16718	1.7
266.69666	1.7
266.95462	1.4
269.15375	2.7
287.16519	86.0
288.16718	6.4
305.17581	100.0
306.17990	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.5
58.02981	9.8
58.75627	2.1
59.01379	20.8
59.17412	1.5
59.30915	1.8
71.05005	6.9
71.54701	2.0
71.55126	2.7
73.02956	3.2
85.02951	2.2
92.00745	1.8
93.03445	2.0
95.05035	5.2
97.06564	3.4
99.04509	25.9
99.59247	1.8
109.06554	2.9
111.08155	3.0
116.13287	2.0
121.06618	3.4
123.04540	8.9
123.08150	7.6
125.06054	3.2
125.09703	3.7
133.06639	3.6
135.08176	9.1
141.01744	2.6
146.07408	1.9
147.04530	2.1
149.09723	6.2
151.11208	2.7
162.06787	2.1
168.13953	8.5
169.14328	10.0
171.10260	7.3
175.11243	3.3
189.12784	3.1
193.12373	2.1
219.13887	2.5
243.17500	33.9
244.17738	3.3
249.14856	2.7
261.18625	5.6
269.15521	4.6
287.16504	44.8
288.16800	4.6
305.08234	2.2
305.17566	100.0
306.17908	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	305.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.7
59.01384	10.1
63.59063	1.2
69.94714	6.0
70.58348	1.4
71.05019	1.3
78.30345	1.3
81.03457	4.7
83.05017	3.8
84.03471	1.5
85.80495	1.5
90.38248	1.4
91.80019	1.5
93.03448	5.1
95.01395	4.4
95.05044	2.7
97.02950	1.5
97.06605	8.1
107.05029	3.9
109.02997	7.0
109.06575	4.3
110.28062	1.4
111.00896	1.9
121.02969	3.3
121.06601	2.1
123.00869	2.0
123.04557	2.2
123.08188	3.0
125.02456	2.6
125.06097	14.1
127.07635	9.4
133.10202	3.5
135.04552	2.1
135.08156	3.0
136.05206	3.6
138.06876	4.1
139.07658	1.4
141.01743	1.8
147.08195	1.5
149.09718	5.4
151.11284	5.1
153.09171	1.9
161.09717	1.9
167.10745	2.8
175.11249	3.3
177.09175	2.2
179.10760	3.6
179.90131	1.5
189.12894	9.0
193.12338	1.9
195.13904	22.1
223.13432	3.3
231.13896	4.7
233.19202	2.2
243.17543	45.6
244.17772	2.8
250.12045	13.1
252.15926	1.5
259.16992	4.1
261.18588	11.0
267.29779	1.6
269.15439	4.4
287.16504	49.4
288.16913	4.5
305.17575	100.0
306.17963	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	305.1606
Annotation	Creoside II
Peak:m/z	Relative Intensity
55.01867	1.4
57.03442	4.4
58.00583	2.0
59.01381	99.1
62.14699	0.9
65.03963	14.0
69.03449	3.0
70.73535	1.4
70.73859	1.3
71.01383	31.8
72.99299	3.9
73.02952	6.6
80.96532	1.1
81.03468	2.2
81.07108	1.7
83.01402	3.5
83.05030	14.7
84.02145	1.8
85.02950	100.0
86.03282	2.5
86.62478	1.0
87.00839	1.5
87.04488	1.1
89.02447	23.5
93.06409	1.0
95.01368	1.6
95.05042	1.3
96.96016	24.4
97.02930	1.1
97.06577	3.5
99.00880	2.2
99.04530	2.2
101.02435	23.6
109.06583	2.4
111.08158	3.9
113.02446	10.9
113.09679	1.0
119.03520	10.4
121.06581	0.9
123.08183	3.3
125.02457	1.1
125.06083	3.7
127.04015	11.3
131.03528	1.7
138.05659	1.6
141.09215	49.4
142.09589	1.7
143.03491	1.8
143.07133	5.6
145.08688	1.0
157.08714	1.6
159.02988	1.0
161.04539	3.6
179.05655	1.3
183.10263	3.8
201.11482	1.4
207.13977	2.5
225.11279	5.1
256.38181	0.9
261.13361	3.9
269.13907	1.8
287.15146	4.5
287.17844	1.1
305.03439	1.3
305.07025	18.0
305.12402	34.8
305.16019	82.3
306.07266	1.8
306.12766	2.1
306.16330	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	305.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43635	0.8
55.01868	1.9
55.08020	0.8
57.03436	1.1
59.01379	21.9
60.65880	0.7
61.98800	0.9
68.56674	0.8
69.03455	2.4
71.01399	0.9
71.05016	14.8
71.55257	1.4
73.02955	5.2
81.03429	1.1
83.05007	2.9
85.02983	1.2
85.95767	0.7
93.03424	1.1
95.05021	2.5
97.02942	1.2
97.06570	7.1
99.04518	100.0
100.04830	3.8
101.06087	0.9
106.04277	1.2
107.05031	2.8
107.08657	2.4
109.02947	1.0
109.06608	4.0
111.00932	0.9
112.05340	0.8
112.98560	1.0
113.06068	1.7
121.06599	3.3
121.10256	1.3
123.04506	1.9
123.07256	1.2
123.08167	25.0
124.08504	1.6
125.06079	10.2
125.09715	1.0
130.68471	0.8
135.04622	0.8
135.08177	2.9
136.05295	3.5
137.09691	1.7
138.06857	1.3
141.01685	6.3
147.08170	1.2
149.09724	10.6
149.13335	1.0
150.10040	1.3
151.07635	0.9
151.11322	0.8
159.08052	1.0
161.09714	2.1
161.13336	3.3
163.11420	0.8
164.08371	3.0
165.09259	1.2
166.73691	0.8
167.10791	1.4
173.09695	1.1
175.11244	2.1
181.12212	1.0
187.11267	1.0
187.14813	1.0
189.12840	5.1
190.09943	1.3
193.12352	5.9
195.13828	3.1
201.12842	1.0
205.12321	7.1
209.11769	1.0
219.13857	8.9
221.15486	1.7
231.13885	2.3
240.64308	1.1
243.17517	47.4
244.17896	4.1
249.14955	3.6
259.17010	1.0
261.18591	2.4
269.15414	6.4
273.18423	0.8
276.13751	1.0
277.18124	1.0
278.43454	0.7
287.16516	84.4
288.16815	7.2
305.17584	98.7
306.17914	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	305.124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89837	1.3
55.01871	6.0
55.88537	1.2
57.03432	4.5
58.00577	4.8
59.01376	100.0
63.32804	1.2
65.30462	1.4
70.83430	3.8
71.01379	78.3
72.01711	1.7
72.99302	4.8
73.02938	18.4
81.07102	3.7
81.64748	1.3
83.01392	11.8
85.02946	31.1
86.00087	2.4
87.00864	4.3
89.02441	50.5
95.01380	7.1
96.96024	2.6
99.00879	5.8
101.02436	73.9
113.02447	29.3
119.03486	22.9
125.02394	1.4
125.06078	2.6
131.03477	2.0
134.36137	1.2
138.05612	2.3
143.03459	4.1
149.04480	1.4
150.62831	1.3
159.01349	1.1
159.02983	5.4
161.04536	17.3
261.13394	18.2
263.11401	1.7
265.34146	1.3
305.12415	66.1
305.15884	3.3
306.12708	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.6
56.82500	1.1
57.03442	2.7
58.00586	3.3
59.01376	100.0
65.03980	1.8
69.75673	5.3
71.01379	54.9
72.99302	3.9
73.02945	6.5
81.07094	21.4
83.01389	5.3
83.05015	1.9
85.02955	19.7
87.00886	2.4
89.02438	58.1
95.01390	2.4
96.96008	4.4
98.19881	1.8
99.00880	2.3
101.02440	38.4
109.06602	1.5
112.72092	1.3
113.02448	24.1
119.03502	25.9
125.02448	1.7
125.06040	9.3
131.03516	1.9
138.05624	2.9
141.09207	2.8
143.03481	3.2
143.07166	1.7
149.04512	1.4
159.03020	2.4
161.04570	4.9
179.05573	3.8
213.31020	1.4
224.56070	1.5
225.11356	1.7
231.24463	1.4
236.81918	1.2
261.13416	2.0
305.07037	3.8
305.12451	76.6
305.16016	9.8
306.12860	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13516	0.6
57.03436	0.7
57.72432	0.6
59.01377	18.4
69.03447	3.1
71.05014	2.2
71.54812	0.6
71.55145	0.8
85.06591	0.7
93.03459	1.0
94.35610	0.6
95.05024	1.3
106.05106	0.6
109.06589	1.6
111.04516	2.2
117.07092	4.5
121.06547	1.1
125.09695	1.7
133.31299	0.6
135.08139	3.2
149.09743	0.8
167.10770	4.0
177.12849	0.8
179.10762	2.1
179.14432	4.2
182.80128	0.6
185.11971	0.9
195.13876	12.4
196.14226	0.8
205.12318	11.1
206.12607	1.1
206.89696	0.6
223.13380	100.0
224.13744	6.1
243.17496	1.7
245.11562	10.6
249.15070	0.9
261.18680	0.7
287.16528	10.7
305.13705	11.8
305.17548	12.8
306.14426	0.7
306.17896	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	22.7
60.14301	6.8
65.03986	7.9
71.03028	14.9
73.92286	6.8
85.02949	6.4
87.31712	7.0
93.07117	8.2
95.10866	7.9
95.96970	7.1
97.06612	18.7
99.08189	6.4
99.68990	6.7
121.10244	100.0
137.06094	16.7
155.07135	19.8
165.09200	94.9
166.09610	8.0
168.13976	13.2
170.64008	7.0
188.41521	6.4
275.20093	12.2
275.58832	6.9
285.18546	15.5
303.19678	98.9
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
54.02932	0.3
56.89527	0.3
57.26627	0.4
58.02975	38.9
59.03295	0.4
62.93918	0.4
69.67611	0.4
69.74636	0.8
69.75046	1.4
70.08672	0.3
73.46470	0.3
96.87207	0.3
124.79148	0.4
135.73341	0.4
163.13176	0.4
168.13933	100.0
169.14275	4.8
209.90488	0.4
212.12898	4.2
304.19275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	36.7
69.54183	3.6
72.27454	0.5
74.53566	0.5
79.95740	1.9
94.17766	0.5
94.86479	0.5
96.96004	100.0
97.06575	1.8
133.38680	0.5
135.08148	1.3
147.08176	1.4
165.09161	0.5
197.29893	0.4
225.11296	23.8
226.11649	1.7
246.48915	0.4
260.46674	0.4
275.60602	0.4
305.06970	87.7
306.07251	5.3
311.07773	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	305.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	41.2
67.04957	0.6
69.23838	4.2
69.24249	1.1
78.18713	0.5
79.95737	1.9
96.41924	0.6
96.96007	97.8
97.06612	0.6
98.20757	1.1
135.08153	0.9
137.54343	0.6
147.08153	1.4
165.09195	1.0
225.11305	26.7
226.11604	1.5
305.06979	100.0
306.07327	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1141
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
50.76371	0.3
51.90102	0.4
53.92514	0.3
59.01381	1.8
60.13338	0.4
66.19147	0.4
69.87672	2.2
71.01370	2.1
73.02936	0.4
76.25529	0.4
82.02973	3.7
85.02920	0.5
89.02441	0.6
92.05032	0.4
94.02987	1.8
96.04536	4.0
96.96008	1.1
97.02931	0.5
98.19991	0.6
101.02422	1.1
110.06100	0.5
114.36520	0.3
120.04541	0.7
122.03719	4.5
122.06097	1.6
133.02956	0.5
136.04013	1.4
138.05595	100.0
139.05949	3.3
150.05588	0.6
161.04660	0.6
173.57454	0.4
174.05600	0.4
188.07188	0.8
190.08672	0.8
191.08205	0.7
193.87430	0.4
202.08682	0.8
216.10274	0.7
217.06151	0.8
218.06944	2.2
218.11818	1.5
233.09293	5.7
244.09726	1.2
245.09161	0.8
261.12399	10.8
261.15186	0.6
262.12698	0.7
275.27322	0.4
287.10287	1.2
288.27554	0.4
305.07315	1.0
305.11404	19.1
306.11685	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	303.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98816	2.3
63.81999	2.2
71.09351	3.2
71.09669	2.7
111.08139	6.7
116.76965	2.1
120.12657	2.4
125.09685	3.2
131.03539	2.3
137.09718	14.7
139.07668	6.2
139.09721	2.2
141.09198	16.4
153.09206	46.6
155.10783	7.8
169.72455	2.3
177.59616	2.5
183.10284	7.0
211.09750	37.8
243.12277	2.6
285.15121	3.6
303.16058	4.9
303.19565	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	303.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.5
58.00598	5.1
59.01378	41.5
61.26924	1.0
69.86418	5.2
71.01381	54.2
72.99309	6.5
73.02956	5.4
73.70777	1.3
75.00857	5.0
78.75140	1.1
79.55546	1.1
83.01417	1.3
85.02946	4.5
87.00877	1.2
89.02442	12.7
95.05017	1.9
96.96021	4.5
97.06607	3.8
98.19950	1.6
99.00889	4.0
101.02449	11.0
106.04292	1.3
108.02209	2.4
109.06561	2.5
111.08141	3.3
112.98797	1.4
113.02448	7.2
117.01943	3.4
121.06592	2.1
123.08171	2.6
125.06098	2.1
125.09727	3.7
127.11256	7.8
135.03001	2.0
135.04546	1.6
136.33859	1.1
137.09706	1.6
139.07687	1.6
139.11288	4.3
142.99844	9.8
149.06093	2.2
149.09740	3.4
149.35497	1.1
151.11261	3.4
153.05540	2.6
153.09218	2.9
155.10799	13.1
155.61737	1.3
157.12347	2.1
163.11240	1.6
165.09207	1.6
167.07146	5.6
167.10791	19.7
171.10258	24.0
171.17876	1.0
173.00882	2.5
174.01669	3.3
175.21637	1.0
181.08620	1.4
181.12335	1.5
183.10109	1.6
185.11821	77.6
186.12180	5.2
187.09732	6.9
194.63461	1.2
195.10234	13.0
199.13388	3.5
201.11343	4.0
205.12383	1.5
207.10255	3.5
213.11314	100.0
214.11691	4.0
221.11856	5.4
223.13460	1.6
225.07623	5.3
225.11285	10.4
227.12830	2.5
239.12828	2.7
243.12354	5.3
249.11313	2.9
255.12466	2.8
261.13501	1.9
263.02136	4.2
264.02936	1.3
267.12421	3.1
285.04095	1.7
303.14554	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	303.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	79.0
61.98842	1.4
69.03443	2.5
70.24620	3.6
70.25021	2.7
71.01360	6.7
72.99312	4.1
75.00859	4.0
83.01388	1.4
89.02441	3.9
94.06632	1.8
96.04592	2.1
96.96017	1.9
97.06586	4.1
107.03786	2.0
108.04554	28.0
109.06566	1.8
111.08163	4.2
111.43216	1.7
112.98817	2.8
117.01969	1.7
121.05322	1.9
122.06126	52.2
123.08216	2.2
124.01677	1.6
124.07687	57.8
125.06078	3.0
125.07989	2.3
127.83849	1.5
136.07686	74.6
137.07996	2.9
139.07645	9.8
142.99883	16.7
149.06104	4.4
153.05534	1.4
166.38785	1.5
167.05856	3.5
167.07150	10.3
168.06659	100.0
169.07036	3.3
171.10213	2.4
173.00858	3.6
174.01726	3.5
180.06624	7.9
213.07756	3.9
216.13896	3.8
217.10693	1.9
225.07669	2.0
230.10590	1.9
231.11429	2.0
241.14406	1.7
243.11304	4.2
259.14584	4.5
272.19821	1.5
285.12180	1.7
303.13498	47.4
303.18057	4.1
304.13763	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86409	0.7
58.00580	0.9
59.01379	100.0
60.01735	1.1
61.98819	0.9
71.01383	11.7
71.55439	0.9
73.02945	9.2
74.63852	0.8
83.01377	2.8
85.02946	1.9
87.00908	1.0
89.02454	4.6
95.01431	0.9
96.96043	0.9
99.08210	0.7
101.02444	9.5
101.97977	0.7
105.54306	0.7
113.02450	3.3
119.03506	1.2
121.03009	0.7
131.03531	1.0
152.46661	0.8
159.42731	0.7
161.04611	0.9
185.11844	2.8
191.05362	0.8
303.08493	0.7
303.14859	1.3
311.50836	0.7
314.96387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09108	22.1
59.01377	45.3
61.98810	83.2
71.01380	27.8
76.62193	18.2
78.91857	31.1
78.95885	26.1
85.02962	22.3
87.00871	29.3
89.02449	31.1
125.87289	62.2
130.88890	19.6
140.02187	21.5
141.04437	21.0
142.87543	44.5
144.86948	100.0
148.91025	21.5
154.91537	47.8
155.91246	19.7
157.86203	25.9
157.90862	31.0
159.90541	32.9
168.01648	20.5
210.94156	25.2
210.98701	19.0
243.06117	17.9
264.97620	18.5
265.09207	49.8
267.01199	52.3
267.07141	20.0
267.94278	55.7
302.99057	26.8
303.08524	100.0
303.92242	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81025	1.0
59.01379	100.0
60.01699	1.6
65.48045	1.1
67.01880	1.4
68.99834	1.0
69.03446	1.4
69.30703	7.4
71.01382	12.8
72.99307	9.4
73.02946	1.8
75.00875	9.4
80.02680	1.2
83.01372	1.5
83.05019	1.2
84.02153	1.6
85.02957	1.7
87.00868	1.2
89.02442	9.1
95.01397	1.1
96.04588	1.6
96.95996	3.3
97.02934	2.9
97.06590	5.0
98.20686	1.9
99.00845	2.4
100.85053	1.0
101.02452	2.1
107.05019	1.5
108.02161	1.4
108.04537	8.8
109.06602	5.0
110.03739	2.3
111.08159	8.3
112.01656	1.1
112.98798	10.6
113.02413	1.9
115.00359	2.0
115.01277	1.0
117.01921	4.3
121.06582	4.3
122.06128	23.2
123.04514	1.6
123.08128	3.8
124.01630	4.2
124.07676	25.2
124.98806	2.0
125.06081	2.8
133.58867	1.2
135.02968	2.3
136.07678	33.2
137.06108	1.5
139.07648	19.1
142.99863	35.0
149.06117	7.3
153.05591	3.8
167.07121	22.8
167.10718	2.2
168.06648	36.7
169.07039	1.9
171.10248	1.1
173.00893	10.1
174.01672	10.8
180.06665	3.3
183.06599	2.9
185.11807	8.9
193.05038	3.4
200.35963	1.0
200.43620	1.0
211.06131	6.1
213.07677	5.9
213.11324	7.8
216.13904	2.1
225.07591	4.3
243.11212	1.2
256.82684	1.3
259.14545	2.0
263.02039	2.5
303.09641	1.6
303.13477	20.1
303.17365	1.7
303.17914	1.3
304.14050	1.6
318.69943	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.0
60.98916	0.2
61.98813	0.2
62.41825	0.2
68.15034	0.2
69.28815	1.6
69.29230	0.4
71.01359	0.4
75.01517	0.2
89.02441	0.4
90.64772	0.2
91.03983	0.8
107.15058	0.2
111.08153	0.4
114.82725	0.2
123.00814	0.3
125.55480	0.3
165.12845	3.3
166.13229	0.2
183.13892	100.0
184.12686	0.4
184.14236	5.6
209.11865	2.6
227.12883	4.7
228.13278	0.3
255.55432	0.2
301.16629	13.9
301.20178	1.9
302.16983	0.8
302.20242	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52832	0.2
59.01373	1.0
69.26212	1.8
89.02443	0.3
91.04038	1.0
95.47504	0.2
108.05164	0.2
111.08131	0.3
117.01034	0.2
118.80785	0.2
165.12845	3.4
183.13898	100.0
184.14238	5.4
190.73607	0.2
193.12143	0.2
209.11816	2.3
227.12881	4.4
301.16592	14.6
301.20090	0.8
302.16824	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
51.13792	0.2
59.01373	0.3
60.97485	0.9
68.58708	0.2
69.82894	0.6
69.83311	0.4
74.99088	0.7
77.32047	0.2
83.29276	0.2
91.02177	0.2
93.00150	0.2
96.67631	0.2
98.20624	0.3
115.31680	0.2
116.96535	0.2
118.96222	1.0
132.92679	0.2
134.99391	5.1
136.97295	1.2
140.72762	0.2
141.07448	0.4
143.05324	1.5
149.99397	0.2
150.98981	0.2
159.08492	1.6
161.06398	5.2
168.33289	0.2
174.33528	0.2
187.02498	0.2
187.50435	0.2
201.04106	0.6
203.05653	3.1
205.03464	1.0
215.05603	1.0
217.07193	80.2
218.07362	5.1
235.08191	0.3
259.65881	0.2
261.06168	0.5
262.05878	0.2
283.11990	0.4
285.13464	34.7
286.13675	3.5
301.16589	100.0
302.16791	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	301.0928
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
56.85353	0.3
59.01374	0.8
61.98832	0.7
69.82398	0.9
69.82810	0.7
74.99091	0.6
86.88165	0.3
93.03455	4.4
96.96008	0.3
121.02950	8.3
137.02417	0.6
139.04004	100.0
140.04356	3.1
145.23195	0.3
165.01950	0.8
220.55685	0.3
251.14391	0.3
301.05981	0.5
301.09177	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	301.106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.9
61.98820	1.6
70.90659	0.9
71.01372	0.9
72.67695	0.3
74.99110	1.1
85.57901	0.4
87.95777	0.4
93.03457	5.8
94.03863	0.5
99.53001	0.4
121.02967	7.8
123.00901	0.6
136.99129	1.2
137.02415	1.0
139.04015	100.0
140.04353	3.5
147.04546	0.4
156.72237	0.4
164.07220	0.4
165.01976	1.0
194.70724	0.4
247.16603	0.4
284.12527	0.7
300.99036	0.9
301.09259	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	301.093
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
50.53066	0.2
59.01381	0.4
60.95864	0.2
69.73734	1.1
80.44582	0.2
93.03456	5.5
94.03754	0.3
121.02953	7.7
122.03277	0.3
123.00889	2.2
137.02454	0.3
138.03226	1.2
139.04007	100.0
140.04352	3.6
158.99823	0.2
165.01915	0.8
230.80608	0.2
296.62958	0.2
301.09229	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	300.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54961	0.2
59.01384	1.1
68.01423	0.4
70.95833	0.5
71.01372	0.3
82.35753	0.2
93.03435	1.6
94.03803	1.1
101.02431	0.3
122.02483	0.6
123.03261	9.8
124.03559	0.3
137.02454	2.4
137.04803	0.8
137.55829	0.2
138.02812	2.9
138.05602	100.0
139.05939	2.7
152.07147	0.8
165.04271	0.6
167.05907	0.4
180.06639	2.3
251.04807	0.2
300.10855	8.0
301.11224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.1
61.98837	0.5
68.00694	0.4
69.03471	0.6
71.01384	2.0
71.54544	0.6
73.02934	0.7
83.05045	0.6
87.00862	0.6
97.02911	0.5
99.04616	0.4
103.69527	0.4
108.02168	0.7
111.42194	0.3
113.06055	0.5
115.04027	2.2
119.05076	0.4
120.99654	100.0
121.99963	1.2
123.04527	2.1
128.83456	0.4
129.63383	0.4
133.01431	0.5
134.03741	2.5
138.01953	0.5
139.02382	0.6
139.03940	0.4
140.07242	0.7
145.05069	1.0
149.06090	7.4
150.03246	0.4
155.07111	0.7
164.04762	0.6
171.32423	0.4
180.02612	0.5
195.04823	1.8
209.11885	1.1
211.11101	0.4
213.05890	6.0
214.06187	0.4
221.11792	0.5
227.12984	0.4
239.12898	1.0
257.14014	2.5
286.08322	0.4
301.07605	4.0
301.13065	3.2
302.08276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52908	0.3
59.01376	2.1
61.38322	0.3
61.98832	0.4
68.01408	0.4
70.81561	0.5
71.01393	1.8
72.01724	0.5
73.02943	0.4
81.23199	0.3
85.02966	0.6
93.03457	25.0
94.03791	18.2
95.05034	0.5
101.02415	0.8
108.02254	0.3
113.02404	0.6
123.00870	0.3
123.03264	9.7
137.02444	32.8
137.04730	0.8
138.02785	35.8
138.05606	100.0
139.02979	1.5
139.05959	3.1
140.75819	0.3
150.71909	0.3
152.07170	0.6
165.04292	0.7
167.03424	0.3
167.05846	0.3
168.03920	0.4
180.06656	2.2
272.38947	0.3
287.36710	0.3
300.08020	0.9
300.10892	8.8
301.11234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60873	2.3
59.01371	12.1
61.23463	3.2
62.42580	3.2
63.12186	3.1
69.92155	16.4
71.01355	4.9
73.02944	4.2
89.02468	5.1
93.03457	74.1
101.02483	3.8
137.02440	100.0
138.02800	4.5
144.17711	3.2
151.37247	2.9
159.27132	2.8
176.26126	2.9
217.00340	8.1
228.10567	3.5
244.88205	3.5
284.03470	5.5
299.08344	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	299.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47925	2.0
51.07662	1.8
59.01373	5.5
61.32431	1.9
61.98830	79.3
65.30714	2.0
71.01398	3.1
71.54042	2.6
93.03457	33.5
96.96048	2.4
101.02467	2.6
103.92038	2.3
108.93758	3.7
112.92308	6.5
112.94109	5.0
114.92030	4.1
121.11492	2.2
128.89166	4.2
130.88945	2.7
135.04549	2.4
136.07033	2.5
137.02449	49.1
137.03508	3.3
146.86600	2.9
148.86351	5.3
154.93367	27.7
155.91100	56.0
155.93385	6.1
156.91191	30.1
156.93071	46.0
157.90805	100.0
178.94293	2.9
238.96466	4.2
284.03351	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	300.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00333	0.6
51.57306	0.2
51.94143	0.2
53.59448	0.2
55.53325	0.1
59.01382	2.8
68.01411	2.7
70.02960	0.2
71.01376	0.6
71.54139	0.2
72.99316	0.2
73.02931	0.2
73.80245	0.2
85.02969	0.3
87.00883	0.2
89.02428	0.2
94.06622	0.3
95.05023	0.4
96.04545	0.5
101.02431	0.3
108.08215	0.2
109.01653	0.4
110.06110	0.2
122.02429	0.8
122.06156	0.3
123.03261	6.4
124.04052	0.3
124.07713	1.2
125.06101	0.2
130.08746	0.2
136.07660	0.6
137.04779	1.0
138.05606	100.0
139.05960	2.8
139.07654	0.2
140.07214	0.2
152.03493	0.3
152.07170	1.5
155.07097	0.7
166.08745	0.6
167.05859	2.2
168.06621	0.5
177.35165	0.2
180.06659	5.2
195.04706	0.3
210.07619	0.6
240.08968	0.3
257.13834	0.2
285.03455	0.2
300.10873	17.8
301.10818	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0771
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
54.30191	0.3
54.95613	0.3
56.19982	0.3
57.53674	0.2
59.01382	1.3
65.03960	0.6
65.25304	0.2
70.53791	0.6
71.01383	2.3
73.02949	0.7
83.40765	0.2
85.02938	1.0
85.65581	0.3
89.02444	0.3
90.77178	0.3
93.03458	58.4
94.03801	1.1
101.02435	0.8
108.02184	0.3
113.02460	0.7
123.03263	1.2
137.02444	100.0
138.02794	2.7
138.05609	12.7
144.65712	0.3
161.04535	0.7
210.98972	0.3
217.00363	0.6
259.14841	0.3
284.03348	0.3
299.07739	1.5
300.10818	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0771
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
50.89534	0.9
58.00580	2.5
59.01378	68.7
67.05260	1.0
68.17310	1.0
69.04913	0.8
69.83549	3.9
71.01380	29.9
71.01778	1.7
72.99310	2.0
83.01366	1.6
85.02931	6.6
87.00867	1.0
89.02438	32.2
92.02705	1.2
93.03455	31.2
95.01376	2.5
97.32692	1.0
98.19939	0.9
101.02448	17.8
104.52837	0.9
105.38697	0.9
113.02443	11.8
113.03159	1.3
119.03494	12.4
121.02947	2.3
135.04541	1.3
136.01659	5.7
136.05261	1.0
137.02446	100.0
138.02780	3.0
143.03561	1.2
149.02460	1.4
151.04036	5.1
151.05080	1.0
179.03496	33.5
180.03806	1.3
193.72945	0.9
201.14674	0.9
209.04594	5.4
217.00333	3.5
239.05588	15.0
240.05757	1.1
284.03339	1.0
299.07715	77.6
300.08072	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	299.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33411	0.5
59.01385	4.7
66.91425	0.5
71.01385	2.0
71.54643	0.6
75.00887	0.5
80.96519	1.3
85.02946	0.6
89.02452	1.9
101.02448	1.0
105.72128	0.5
119.03525	0.7
119.05064	0.9
120.99656	100.0
121.99968	1.1
123.68500	0.5
147.00835	0.7
162.03221	1.9
164.91498	0.6
174.99260	0.5
176.35014	0.5
177.05533	0.7
197.11911	0.7
197.96544	0.5
209.11823	0.6
213.06291	0.9
217.00345	1.4
225.11389	1.7
256.03738	0.9
284.03299	5.3
299.05408	3.8
299.15021	0.7
299.26053	0.6
309.11487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.056
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
59.01311	0.7
63.02335	1.2
65.00289	0.6
69.55445	2.9
83.01337	1.2
85.67857	0.5
107.01396	2.1
114.07706	0.5
132.46359	0.4
133.02885	0.8
134.03709	1.0
151.00313	2.9
174.64781	0.5
187.34732	0.4
200.04640	1.0
211.03978	1.4
227.03468	2.7
255.02878	1.3
256.03790	8.6
283.02432	0.6
284.03244	100.0
285.03625	6.1
299.05597	57.8
300.05899	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	299.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96043	0.1
55.00324	0.2
57.01664	0.1
57.12595	0.1
59.01385	0.9
61.98804	0.3
63.02398	1.6
65.00301	0.8
70.92168	0.3
80.11916	0.1
80.96503	0.3
82.04135	0.1
83.01385	1.4
88.04028	1.4
89.02429	0.2
101.02459	0.4
101.57732	0.2
107.00713	0.3
107.01384	2.8
108.02191	0.2
123.00853	0.3
125.02383	0.2
128.32515	0.2
132.02144	0.3
133.02927	0.9
134.03751	1.5
144.29730	0.2
148.01634	0.6
149.99583	0.5
151.00360	4.0
158.03703	0.2
169.01448	0.2
172.05281	0.2
183.04510	0.7
184.05244	0.2
185.02350	0.2
186.03159	0.1
187.03969	0.6
188.04778	0.3
199.04002	0.6
200.04805	1.0
201.01932	0.1
203.03627	0.2
211.04013	1.4
212.04747	0.3
214.02803	0.3
216.04178	0.2
227.03508	2.7
228.04112	0.3
239.03638	0.7
240.04208	0.2
240.81552	0.2
247.88882	0.1
255.02939	1.5
256.03751	5.1
257.04080	0.3
283.02441	1.0
284.03241	100.0
285.00443	0.3
285.03595	6.4
299.05585	56.0
300.05911	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	297.2435
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
59.01383	6.6
59.52964	0.6
68.99548	0.6
69.22549	2.8
69.22974	2.3
71.01387	0.9
73.02953	0.5
93.65793	0.7
93.87403	0.5
101.02432	0.8
110.85883	0.5
112.98571	0.9
121.06617	0.8
122.26946	0.5
139.11317	0.9
149.00946	2.9
155.14398	1.0
163.11343	0.6
183.01227	4.5
183.13988	0.6
184.01944	0.7
199.13377	1.9
223.80441	0.5
237.09756	2.0
246.26897	0.5
253.25371	1.2
264.98468	1.0
277.83264	0.5
279.23306	2.9
295.78134	0.5
297.04727	6.9
297.15359	10.2
297.24347	100.0
298.04739	1.4
298.15332	0.6
298.24689	8.1
299.02756	0.7
315.06076	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0559
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.86330	0.4
63.02410	2.2
65.00327	0.8
69.44077	0.4
69.57005	2.5
69.57414	1.2
83.01366	1.4
107.01393	3.0
107.62481	0.4
109.36578	0.5
132.02165	0.5
133.02934	0.7
134.03731	1.6
151.00380	3.4
183.04610	0.6
187.03957	0.5
199.03970	0.9
200.04648	0.6
211.03975	1.3
227.03476	2.9
255.02924	2.0
256.03763	14.0
257.04086	0.6
283.02454	1.0
284.03247	100.0
285.03564	5.6
299.05594	85.5
300.05917	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2433
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01364	1.7
70.69743	1.0
74.87169	0.3
80.52015	0.4
83.04992	0.4
86.82240	0.4
98.20568	0.4
103.08341	0.4
137.09737	0.6
139.11273	0.5
141.12828	1.3
155.10774	12.6
156.11092	0.7
166.30746	0.4
171.10242	1.0
183.01173	0.8
251.23952	0.5
279.23264	13.0
280.23633	1.3
295.22836	0.8
297.15384	3.1
297.24332	100.0
298.24680	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	297.2434
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
51.90092	0.3
59.01366	0.9
59.27835	0.3
61.98812	0.3
70.39620	0.5
70.39957	0.5
70.82134	0.3
71.60693	0.4
77.76043	0.3
86.30400	0.3
98.19878	0.3
111.08247	0.3
127.11261	1.0
130.71713	0.4
141.12848	0.7
153.12923	0.4
155.10780	2.7
171.10274	4.9
183.01196	0.7
193.30304	0.3
237.09665	0.3
237.53421	0.4
279.23279	8.4
280.23752	0.7
286.94717	0.3
295.22787	0.7
297.15469	2.0
297.24335	100.0
298.24686	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	297.2433
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
50.91695	0.3
59.01378	4.1
70.65728	1.0
71.01424	0.6
73.97829	0.4
101.02440	0.5
127.11306	0.4
128.81198	0.3
160.06769	0.3
169.12337	7.0
170.00377	0.4
183.01199	6.9
183.13921	0.7
183.33072	0.3
184.01869	0.4
197.15477	0.8
237.09659	0.7
244.70869	0.4
261.22217	0.6
269.18741	0.3
279.23282	13.2
280.23651	1.1
295.22791	1.1
297.15298	14.3
297.24341	100.0
298.15558	1.1
298.24670	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	297.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23592	0.3
59.01369	1.7
69.23057	3.3
70.20718	0.3
80.01764	0.3
82.50587	0.3
125.09679	0.5
126.49137	0.3
127.11236	1.9
147.86115	0.4
167.87367	0.3
171.10263	11.5
172.10680	0.4
183.01215	2.0
251.23778	0.5
261.22186	0.8
279.23264	11.8
280.23648	0.9
295.22830	0.6
297.15329	4.6
297.24319	100.0
298.24649	9.4
298.27957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1344
Annotation	Oligandrumin C
Peak:m/z	Relative Intensity
51.45173	1.5
57.03440	3.3
59.01371	11.8
64.89034	1.4
65.03963	17.2
67.01900	1.6
68.31578	1.7
70.29126	3.1
70.29494	3.4
71.01366	5.1
72.32271	1.4
81.03452	21.0
83.05022	6.0
95.01347	2.0
95.05904	1.6
96.95994	4.5
97.06567	3.6
98.95613	1.9
100.22180	1.9
101.02436	3.1
101.86558	1.7
106.04234	6.5
107.05039	3.1
109.06555	2.4
111.08141	2.0
123.08156	2.1
125.02454	2.4
125.09715	24.4
135.04482	3.7
137.07983	1.5
147.16154	1.5
151.82216	1.5
168.62297	1.4
171.10266	22.6
173.13322	2.6
173.14793	1.8
181.15923	3.3
182.91664	1.5
189.12878	1.8
191.14386	13.7
199.09715	4.3
207.13835	3.2
209.11772	19.5
209.15398	16.4
210.12234	1.9
217.12329	16.5
225.11325	2.8
225.14946	100.0
226.15216	4.9
235.13374	80.6
236.13631	4.6
253.14104	2.0
257.58139	1.7
297.10168	3.1
297.13428	22.5
297.24396	3.3
298.13660	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2433
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
54.18527	0.3
54.83622	0.2
56.65215	0.3
59.01376	2.0
70.15166	0.9
70.15545	0.5
79.95753	0.4
82.85583	0.3
84.14865	0.3
97.74326	0.3
98.20518	0.4
121.22494	0.3
170.00429	0.4
183.01193	10.6
184.01941	2.4
216.00964	1.4
237.09854	0.7
251.23779	1.1
279.23306	1.5
295.22754	0.9
297.15298	29.1
297.24323	100.0
298.15610	2.3
298.24655	9.5
298.27969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0979
Annotation	Picein
Peak:m/z	Relative Intensity
50.84961	0.1
59.01365	0.2
63.31215	0.1
71.01379	0.1
73.48390	0.1
91.05524	0.2
96.95999	0.1
107.05026	0.4
111.82722	0.1
117.03468	0.2
134.03745	1.6
135.04524	100.0
136.04852	3.3
159.73436	0.2
228.96814	0.1
250.56914	0.1
297.09769	2.2
298.10083	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	297.1189
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01872	1.0
56.89191	0.3
57.03445	1.0
58.00586	0.6
59.01375	100.0
60.01707	0.6
70.15797	0.9
70.16157	0.7
71.01377	20.5
72.01733	0.5
72.99302	0.5
73.02947	4.6
75.00836	0.4
81.03468	0.5
83.01402	1.6
85.02942	7.1
87.00891	0.9
89.02441	16.9
95.01395	1.2
95.38303	0.4
97.02946	0.4
99.00892	1.3
101.02435	16.8
103.04029	0.6
113.00306	0.4
113.02439	8.8
114.28667	0.3
117.05515	0.5
119.03490	7.2
131.03488	0.8
135.04486	0.8
135.06624	7.9
142.61613	0.3
143.03506	1.7
149.04552	0.6
154.93390	0.7
159.02968	1.5
161.03241	0.7
161.04543	12.0
167.97437	0.4
179.05586	4.6
237.09772	22.6
238.10068	0.8
262.83374	0.3
297.11871	16.3
298.12311	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92680	1.0
59.01384	1.5
69.22289	7.7
69.65288	1.2
83.05045	1.2
93.12019	1.1
103.74365	1.0
116.60740	1.2
155.14462	2.8
171.10289	35.1
183.10300	2.4
195.13905	1.3
251.23880	1.5
277.21738	41.7
277.24823	2.3
278.22043	3.2
295.22784	100.0
296.23199	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	295.2641
Annotation	Phytomonic Acid
Peak:m/z	Relative Intensity
55.51434	0.7
61.98825	1.2
68.99567	4.2
71.52910	0.9
71.53258	1.1
96.96037	1.2
98.95591	3.8
112.98578	5.6
146.39923	0.8
147.34488	0.9
175.38826	1.0
182.63806	0.8
184.08633	0.8
232.48183	0.9
291.72604	0.8
292.21704	1.0
294.83047	1.1
295.17676	4.0
295.26404	100.0
296.26709	10.0
311.24670	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08457	0.6
59.01378	9.8
71.01356	1.0
71.09598	2.0
73.02940	1.2
74.99068	5.2
79.95785	0.8
89.04290	6.9
93.00110	1.8
95.53633	0.7
101.02477	1.1
149.00949	42.7
150.00970	0.9
183.01180	7.4
183.14017	0.7
184.01837	0.8
188.28508	0.7
206.99684	1.2
208.97676	1.4
223.02769	5.5
237.09758	2.4
250.22635	0.8
264.98434	18.7
265.98483	1.9
279.23196	2.4
281.01566	5.3
282.99548	1.8
296.23151	8.8
297.04684	100.0
297.15271	15.8
297.24301	34.5
298.04745	11.5
299.02679	8.3
300.02786	0.8
301.00574	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41090	1.5
58.00592	2.6
59.01380	100.0
60.84202	1.6
61.98821	3.9
71.01010	3.1
71.01379	46.1
71.52779	2.5
72.99303	4.1
73.02943	57.0
74.00994	1.6
83.01385	2.3
85.02941	9.4
87.00874	4.7
89.02441	52.2
93.44237	1.5
95.01391	3.6
99.00826	2.8
101.02441	24.8
103.92045	11.2
105.01938	4.4
113.02436	14.2
117.01913	6.5
119.03506	12.4
121.02908	1.6
122.89410	3.8
123.90218	2.6
131.03429	2.1
135.04524	72.8
135.06664	10.5
136.04868	2.4
143.03456	2.3
153.37511	2.1
154.93387	1.9
161.04576	15.6
178.94795	1.4
179.05606	16.9
181.04997	2.6
237.09793	13.2
297.08667	3.2
297.11911	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
50.93713	0.6
59.01386	3.6
60.48935	0.5
68.68668	0.6
68.99561	3.3
70.54855	0.6
70.55219	1.6
71.87119	0.5
75.97556	0.5
96.96031	0.6
98.04579	0.7
98.95595	2.4
98.96397	0.9
112.98553	5.2
113.09746	0.8
119.67282	0.6
127.11297	0.7
137.31888	0.5
137.73814	0.5
141.12837	8.4
155.14398	3.4
164.60768	0.5
195.13847	1.8
195.79671	0.5
223.41563	0.6
249.22232	7.2
277.21753	3.6
295.17465	3.3
295.22763	100.0
296.23096	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	295.2276
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
52.17089	0.4
57.03426	0.6
57.51426	0.4
59.01373	0.7
61.87562	0.3
69.23601	2.6
69.24028	1.2
71.33710	0.4
83.61461	0.4
89.89534	0.3
98.20615	0.7
102.37733	0.3
113.09718	1.3
125.47238	0.3
179.14368	0.7
195.13916	10.9
213.07129	0.4
277.21704	10.6
277.24731	0.5
295.22775	100.0
296.23141	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	295.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.8
59.01365	2.4
63.04273	0.6
63.80510	0.6
69.26094	2.2
69.26512	3.4
78.23911	0.5
96.90839	0.5
99.08191	0.7
113.09753	2.8
179.14400	1.0
181.12357	0.7
183.13890	3.8
195.13887	23.2
277.21704	19.7
278.22031	1.8
295.22763	100.0
296.23129	8.3
315.35333	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1915
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
59.01384	40.1
68.99580	1.9
69.03449	2.2
71.01386	5.3
71.55049	2.9
81.03457	2.3
86.93639	1.8
95.05029	2.0
97.06590	27.4
113.06056	2.3
118.92548	1.6
133.01418	3.3
151.11273	2.3
169.10930	1.7
169.12349	7.4
179.14493	2.2
181.12263	3.7
183.13969	2.4
184.96768	1.7
197.11833	100.0
198.12209	4.8
199.13393	5.2
207.14009	1.7
211.13339	9.6
215.32983	1.7
227.12978	2.7
235.08220	3.9
249.18642	6.9
251.16589	4.6
253.09213	1.8
259.16907	2.1
277.18118	38.4
295.15808	2.4
295.19131	52.2
295.22665	11.8
296.16174	1.5
296.19543	6.4
318.65796	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1915
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
51.86521	2.3
57.98647	2.7
59.01378	67.6
71.01375	8.1
71.55715	3.9
73.02936	4.2
73.09644	2.4
80.65269	2.8
97.06569	26.3
101.02424	4.9
112.98595	5.1
113.02460	3.3
115.00397	3.8
133.01384	4.6
151.11247	3.0
157.84660	2.9
169.12350	4.5
179.14294	2.5
181.12331	4.8
195.13846	6.1
197.11830	100.0
198.12146	3.7
199.13312	2.9
211.13339	11.5
227.12820	5.0
233.19044	4.1
235.08183	5.4
249.18642	5.9
277.18118	29.2
277.21140	4.8
295.15836	4.7
295.19110	39.1
295.22684	29.8
296.19391	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	13(R)-HODE
Peak:m/z	Relative Intensity
57.03428	0.5
59.01380	4.7
71.54834	0.7
78.77924	0.4
83.05016	0.4
99.08180	0.6
109.91378	0.4
113.09722	1.3
144.73067	0.4
145.52161	0.4
164.14861	0.4
177.12849	1.0
195.13901	31.7
196.14288	1.6
225.15012	1.2
256.38217	0.5
277.21719	33.7
278.22034	2.7
295.22769	100.0
296.23129	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	295.0457
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
56.51222	0.4
57.91075	0.3
59.01378	4.3
70.73897	0.8
70.74259	0.7
71.01379	14.0
72.99302	3.1
82.84820	0.3
87.00892	0.7
89.02446	1.6
94.45559	0.3
96.96014	0.4
115.00367	39.7
116.00698	0.5
119.05010	2.7
133.01424	100.0
134.01779	1.7
134.03722	1.4
135.04514	13.2
163.04019	0.8
179.03502	12.6
180.03934	0.7
228.58669	0.4
295.08292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08016	0.3
59.01377	23.1
61.98832	1.3
69.03439	0.4
69.24537	0.7
69.24937	3.4
71.01376	1.1
76.66966	0.4
79.95728	0.5
85.02940	0.6
96.96008	2.3
101.02437	0.8
112.98566	0.6
113.02433	0.5
115.00378	0.4
133.01431	0.7
166.05858	0.4
177.12900	0.5
183.13904	17.6
184.14253	0.8
195.13901	15.3
196.14191	0.9
209.24667	0.4
213.14952	100.0
214.15286	5.1
223.13202	1.7
235.08168	0.7
235.13165	2.8
237.11130	0.7
253.12872	0.7
265.13058	0.7
267.12122	2.2
270.29660	0.4
277.14456	0.4
277.18179	1.3
279.12158	1.4
281.12430	0.6
295.15436	13.6
295.19058	1.9
295.22537	1.6
296.15378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
62.44167	1.1
65.91393	1.3
69.81892	6.4
71.01413	1.8
89.58904	1.1
92.61638	1.1
121.10236	19.0
122.10583	1.2
153.64264	1.2
164.20996	1.1
171.10265	39.6
172.10544	1.7
183.10298	1.8
183.13913	14.7
211.13382	4.6
231.21161	2.6
235.17041	13.2
275.20139	80.9
276.20511	5.5
293.21213	100.0
294.21518	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	293.2486
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
59.01364	1.2
60.43577	0.4
61.98826	0.6
68.99574	2.6
70.34969	0.9
71.01366	1.1
77.76119	0.4
96.96004	13.4
104.58023	0.3
112.98562	3.5
113.09748	0.5
142.95280	0.4
177.09116	0.6
192.11526	1.1
193.15950	1.5
195.13855	1.7
205.12239	0.6
220.14674	5.7
221.15456	12.6
222.15826	0.9
223.13315	1.2
236.10529	8.9
237.10875	0.5
257.92209	0.4
275.20074	1.3
275.23334	0.4
293.17831	12.4
293.21283	13.3
293.24805	100.0
294.18167	0.8
294.21545	1.0
294.25110	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42237	0.3
57.03447	4.4
59.01382	1.9
59.15358	0.3
70.30252	0.8
77.17186	0.3
97.06599	0.9
97.66739	0.3
109.06564	0.8
112.06276	0.3
113.09729	15.8
114.10121	0.5
116.88004	0.3
121.10254	0.5
127.11129	0.4
134.56773	0.4
139.11264	1.6
149.09628	0.4
167.10788	2.2
171.10251	1.6
177.12782	0.8
179.10777	1.9
195.13892	1.8
249.22202	1.6
252.66270	0.3
264.11972	0.4
275.20215	2.2
293.21222	100.0
294.21588	5.6
299.49994	0.4
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
57.03443	0.7
59.01381	1.9
69.14974	0.3
69.15432	0.3
69.79191	1.5
70.81463	0.3
71.01340	0.4
76.64411	0.3
96.96011	0.4
109.19844	0.3
110.91519	0.3
111.08181	0.8
113.09684	0.4
117.39596	0.3
121.10245	0.3
125.09699	0.3
158.57422	0.3
167.10695	0.5
169.12357	0.4
177.12744	0.4
179.10924	0.3
179.14359	1.5
181.12437	0.4
185.11823	0.7
187.18987	0.3
189.37756	0.2
195.13892	11.9
196.14619	1.6
205.12338	1.2
205.15924	0.5
211.13350	0.6
220.14656	0.9
220.17427	0.4
221.15457	1.8
223.13370	11.4
224.13925	0.7
228.13638	1.1
231.21082	0.6
236.10559	1.5
256.13168	4.1
257.13354	0.3
265.21613	0.4
275.20132	7.9
276.20462	0.3
293.21210	100.0
294.21561	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.7
59.01356	2.0
69.03451	0.9
69.86899	0.9
69.87305	2.0
83.04996	0.8
105.34499	0.6
123.08143	0.9
139.11267	1.3
141.09209	0.7
143.85669	0.6
151.11259	2.3
152.49965	0.6
153.09109	0.8
153.12846	0.6
167.10751	0.6
169.12308	2.4
170.89629	0.6
177.12692	0.7
186.42725	0.5
197.11819	29.4
198.12125	1.5
211.15221	0.6
221.15500	1.6
231.21149	1.4
236.10504	0.7
249.46820	0.7
256.74332	0.5
275.20139	21.6
276.20435	1.1
293.21210	100.0
294.21524	8.3
299.59985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	2.7
59.87143	0.9
66.25403	1.0
70.77575	2.3
71.76384	0.9
72.87313	0.9
88.42339	0.9
94.57848	0.9
99.98586	0.9
165.12849	5.5
166.13148	5.5
167.13432	4.1
196.92940	1.0
209.15456	67.5
210.15727	3.3
221.15474	1.6
231.20992	2.6
236.10518	1.9
247.20653	1.3
249.21361	4.2
273.18445	1.1
275.20126	50.2
276.20392	3.7
293.20541	100.0
294.21582	5.3
294.24274	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67031	0.2
51.69047	0.2
54.99021	0.1
57.03435	0.2
59.01366	0.7
69.03460	0.5
70.04221	0.6
70.04595	0.2
71.01367	0.2
97.06619	0.2
99.24905	0.2
111.08173	0.6
113.09726	0.4
126.43855	0.2
141.09200	0.2
167.10805	0.3
177.12906	0.2
179.14348	0.6
181.12370	0.2
195.13892	10.8
196.14581	1.5
205.12265	0.9
205.15955	0.6
211.13405	0.7
223.13380	9.5
224.13895	0.6
228.13725	0.9
231.21196	0.6
239.12852	0.3
249.18494	0.2
256.13162	5.6
265.21725	0.6
272.34998	0.2
275.20148	7.1
276.20480	0.7
293.21225	100.0
294.21561	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	293.2116
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
50.18363	0.4
54.11941	0.4
57.03440	0.8
59.01361	1.4
69.17532	3.0
69.17951	1.8
73.11773	0.5
81.54130	0.4
86.94965	0.5
88.01776	0.4
95.05032	0.5
98.20670	1.1
109.06558	0.5
111.08163	1.1
113.09729	0.8
119.84608	0.5
135.15022	0.5
179.14424	1.7
181.12347	0.7
183.11403	0.5
195.13884	11.7
196.14389	1.0
205.12320	1.5
205.15967	0.9
211.13336	0.7
223.13403	7.7
224.13837	0.8
228.13608	1.3
241.67603	0.5
256.13110	3.0
275.20178	6.6
293.21219	100.0
294.21558	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72169	1.0
57.28551	1.1
59.01375	3.2
60.88616	1.0
66.30423	1.4
71.00890	2.6
71.05020	3.7
76.78445	1.2
85.06609	1.4
113.09736	2.1
195.13893	1.7
209.15471	2.2
221.15468	1.5
223.17038	4.5
227.13759	1.3
231.21240	3.1
235.17043	39.4
236.17392	2.8
258.18558	1.2
267.04495	1.3
275.20145	38.0
276.20514	3.3
293.21249	100.0
294.21503	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	293.1759
Annotation	7-O-demethyl-albocycline
Peak:m/z	Relative Intensity
51.46939	1.2
51.95415	1.2
52.86221	1.2
53.38109	1.2
57.03431	4.8
59.01373	10.0
59.34025	1.2
59.34373	1.4
69.03456	2.3
71.01373	3.1
71.55360	2.1
78.15179	1.2
81.03458	1.5
83.05022	1.4
87.00877	1.5
95.05030	14.6
96.96017	11.3
97.02956	5.2
97.06560	3.2
109.06539	2.5
112.98547	1.8
113.06072	2.7
113.09763	2.2
121.02967	1.6
121.06612	1.5
123.08134	2.1
134.03761	3.0
137.09715	3.1
145.12390	1.7
149.29079	1.2
152.91707	2.2
167.10747	3.6
177.12869	2.3
179.10783	1.6
183.13821	1.9
195.13852	5.6
211.13364	18.1
212.13725	2.2
221.15433	3.5
223.13324	2.6
231.17511	7.6
232.17824	1.4
233.11555	2.9
236.10419	1.6
275.16510	100.0
275.19739	3.8
276.16867	8.0
293.14032	8.7
293.17551	7.9
293.21155	40.9
294.17520	1.4
294.21469	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1773
Annotation	Embelin
Peak:m/z	Relative Intensity
61.98839	1.4
66.84234	1.0
68.99570	8.8
70.47498	3.2
71.01382	7.5
73.58320	0.9
79.95727	1.9
81.09708	0.9
95.95232	1.6
96.96010	100.0
112.98554	10.4
127.07699	1.0
136.08939	2.3
141.86115	1.0
148.05302	1.0
177.09190	4.2
192.11542	7.7
193.15976	5.5
205.12323	6.2
207.13875	1.8
220.14667	43.4
221.15442	87.5
222.15729	4.9
236.10515	64.9
237.10934	3.5
249.18692	1.5
293.17892	97.5
293.21097	5.1
294.18237	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	293.2116
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
57.03450	0.8
59.01381	1.8
69.73255	0.7
69.73669	1.4
93.35438	0.3
111.08183	0.8
113.09695	0.8
127.89774	0.4
131.15453	0.3
153.62067	0.4
155.05296	0.4
167.10756	0.4
179.14410	1.7
181.12462	0.5
195.13902	11.3
196.14607	0.6
205.12297	1.2
205.15936	0.7
211.13379	0.6
220.14693	0.4
221.15460	0.4
223.13383	8.0
224.13898	0.8
228.13637	1.0
231.21117	0.5
249.22501	0.5
256.13037	3.2
257.13339	0.5
265.21817	0.8
275.20114	6.7
276.20496	0.5
293.21222	100.0
294.21579	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
58.00591	1.3
59.01379	38.1
71.01383	19.2
71.53596	0.9
72.99318	0.9
73.02956	1.0
78.66679	0.5
83.01395	1.7
84.91692	0.6
85.02953	4.0
85.06587	12.3
87.00873	1.5
89.02443	21.1
95.01387	1.4
99.00864	0.8
100.54654	0.5
101.02435	13.3
107.43489	0.6
113.02448	7.5
113.06087	6.3
115.07626	1.5
119.03504	7.7
127.07659	1.5
131.07141	50.7
132.07487	2.0
133.02916	0.5
161.04538	0.6
173.08224	1.8
179.05650	1.7
190.08951	0.6
200.03943	0.5
231.07593	0.6
293.12415	100.0
294.12662	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	293.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.2
68.93390	0.2
71.01379	8.5
71.25180	0.4
81.10663	0.2
86.86617	0.3
101.33434	0.2
127.07591	0.9
148.05283	0.8
151.07603	0.5
164.08377	1.0
177.09187	4.7
177.40013	0.2
178.09503	0.3
192.11543	6.5
193.12102	0.3
205.12311	6.8
206.12503	0.4
207.13867	1.1
217.08653	0.3
218.09444	1.5
220.14665	47.7
221.15439	100.0
222.15785	5.8
235.13387	1.1
236.10513	70.9
237.10907	4.6
293.14246	0.6
293.17621	11.9
293.21112	1.8
294.17993	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70686	0.7
59.01381	4.2
71.01379	12.3
71.24877	1.2
77.03958	3.1
80.96510	2.0
89.02474	1.6
89.03973	1.4
93.03472	0.8
93.64000	0.6
95.05016	4.8
96.96035	0.7
105.03456	19.0
115.00368	2.6
119.05054	0.9
121.02974	0.9
123.04514	1.1
132.02112	0.8
133.02953	100.0
134.03691	3.3
135.04449	1.1
136.01630	2.2
137.02515	0.7
161.06079	1.2
171.10283	1.7
175.07787	0.6
176.04817	1.1
177.01917	41.6
177.09206	0.7
178.02298	1.9
187.07599	0.8
204.10292	0.6
205.08852	1.4
231.10233	2.7
233.08188	2.0
249.11339	1.4
251.55186	0.7
293.10629	3.8
293.21283	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	293.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95589	0.6
59.01369	4.5
71.01383	8.3
71.55756	0.7
71.56139	0.7
72.99311	0.8
73.04050	1.5
77.03960	3.4
85.02940	0.8
89.02447	1.4
89.03994	0.7
93.03420	1.2
95.05040	5.8
96.96006	2.1
101.02472	1.2
103.66465	0.7
105.03453	18.9
112.04066	0.9
113.02496	0.7
115.00335	2.1
121.02937	0.8
123.04507	1.4
133.02948	100.0
134.03214	3.7
135.04469	1.0
136.01678	1.0
149.02451	0.8
150.05627	1.0
151.04047	1.3
161.04666	1.0
161.05995	1.1
174.06810	1.8
175.04004	1.4
176.04800	4.3
177.01920	40.1
177.09251	1.7
178.02332	1.4
187.07648	2.2
189.05482	0.9
191.24728	0.7
202.06314	0.8
203.10765	1.7
204.04305	1.7
205.08693	4.1
223.13388	1.0
231.10229	6.5
233.08202	9.1
234.08484	0.8
249.11232	3.0
275.20349	0.7
293.10330	3.4
293.21210	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	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
55.81897	0.6
58.00578	1.5
59.01377	37.0
62.49314	0.6
65.61256	0.5
68.40876	0.5
69.47873	3.8
71.01376	17.8
72.99314	0.7
73.02930	1.3
82.50340	0.6
83.01379	1.2
85.02945	4.1
85.06586	14.3
87.00909	1.2
89.02438	18.2
92.34070	0.6
94.14884	0.6
95.01392	1.6
98.19891	1.1
101.02433	12.2
113.01686	0.9
113.02440	7.0
113.06074	3.9
115.07636	1.7
119.03488	7.2
127.07677	1.9
131.07133	59.0
132.07466	1.6
137.07646	0.6
143.03473	0.8
173.08156	1.4
179.05621	0.6
283.95221	0.6
293.12408	100.0
294.12708	6.0
294.99539	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2331
Annotation	Grevillol
Peak:m/z	Relative Intensity
50.39661	0.7
59.01385	2.0
61.69498	0.7
61.98820	1.9
63.02453	0.6
66.50511	0.6
68.99559	0.7
70.82360	0.8
70.82681	1.2
71.01361	0.9
74.99062	1.1
75.64679	0.5
78.92352	0.6
83.05012	0.7
111.08147	2.0
112.98574	1.3
115.92089	0.6
121.02943	1.8
135.00800	0.6
149.00887	1.0
165.12846	1.1
167.10742	0.8
172.27388	0.7
181.16928	0.7
195.13866	1.2
209.01222	2.1
209.04547	1.0
247.20656	1.2
253.06841	0.7
273.18408	0.7
289.07422	1.2
291.09103	39.9
291.19711	30.1
291.23297	100.0
292.09302	4.5
292.20056	2.2
292.23645	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	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.7
59.01370	0.9
65.91951	0.3
69.40505	1.9
69.40910	0.8
75.46565	0.4
82.64238	0.4
93.07088	0.8
97.06580	1.7
111.08164	1.8
121.10239	9.5
122.10587	0.6
123.08172	0.7
125.09725	4.5
141.12839	0.9
147.08170	0.8
177.12860	0.6
179.10765	0.4
181.04747	0.4
185.11829	10.0
186.12141	0.6
193.16071	0.4
195.13921	1.7
197.11823	2.9
209.11824	1.3
211.13400	1.5
229.19569	0.4
247.20627	1.8
251.10463	0.4
273.18628	1.7
291.19662	100.0
292.20023	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.12319	1.0
52.84906	1.0
52.85170	1.0
53.09784	1.0
59.01369	2.5
67.86314	1.0
70.39809	3.4
71.01382	2.1
83.05010	1.0
88.18398	0.9
97.06586	83.0
98.06910	2.8
101.02283	1.3
145.38797	1.1
165.12798	1.5
183.13907	4.3
193.12328	23.8
194.12915	2.2
211.13388	59.6
212.13780	2.9
247.20697	1.6
252.65274	1.2
263.20114	5.1
273.18536	4.6
291.19650	100.0
292.20004	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	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42814	0.1
57.03450	0.9
57.06630	0.1
59.01384	1.2
69.03439	0.4
71.01395	0.3
71.05029	1.1
71.20293	0.1
71.20632	0.1
71.77219	0.1
80.02679	0.3
81.03460	0.2
83.05030	0.5
85.06586	0.2
93.03472	0.3
93.07108	0.1
95.05018	0.3
97.06618	0.7
106.04253	0.3
107.05044	0.6
109.06591	0.5
111.08172	0.6
113.06097	0.2
119.05027	0.4
120.84490	0.1
121.10258	0.7
123.04511	0.2
123.08135	0.4
125.06059	0.3
125.09724	1.1
127.07674	0.2
133.06546	0.1
135.08104	0.2
137.09641	0.1
141.09186	0.2
148.08893	0.2
149.09679	0.2
150.10460	0.5
150.99318	0.1
151.11258	0.4
156.13910	1.0
161.09731	0.3
162.10524	0.4
163.11301	2.2
164.11636	0.1
165.09190	0.2
165.12848	7.8
166.13188	0.4
167.10797	0.2
175.11266	0.2
175.14944	0.2
177.12825	0.4
179.14430	1.0
181.12355	0.7
183.13884	0.2
185.11839	0.7
189.12828	0.3
189.16512	0.2
191.14403	0.6
191.15924	0.1
193.12308	0.1
193.16000	1.3
195.13904	0.2
197.11920	0.1
205.16003	0.1
207.13843	0.2
209.11797	0.8
209.15578	0.1
214.28258	0.1
217.15965	0.7
219.17500	0.3
223.13263	0.6
229.19545	0.7
231.17560	0.1
233.15410	0.7
235.13426	0.2
245.18983	0.1
247.20654	5.8
248.21025	0.5
255.17494	0.1
263.20200	0.3
273.18591	3.9
276.01520	0.1
291.19653	100.0
292.19998	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95732	0.4
59.01382	0.6
71.53968	0.5
74.76245	0.3
74.82811	0.3
78.04518	0.3
83.04979	0.4
97.06560	0.6
109.06512	0.4
119.05019	0.5
131.16891	0.3
141.09244	0.4
145.52986	0.4
148.08928	1.3
151.11302	0.9
153.12807	0.7
163.11320	1.1
165.12848	10.3
166.13254	0.4
175.11256	0.7
176.12025	0.5
177.12791	0.8
193.15988	0.4
203.14398	1.1
204.85428	0.4
223.13261	0.5
233.85190	0.4
237.14803	0.4
247.20648	7.5
247.29582	0.4
248.21014	0.4
273.18607	3.4
291.19647	100.0
292.19986	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.1
66.97503	0.7
71.01370	0.8
71.05020	29.8
71.54572	1.0
72.70823	0.7
75.90096	0.7
76.57447	0.6
83.05019	1.0
84.24852	0.7
94.56249	0.7
97.06585	9.2
97.07143	1.2
111.08100	0.9
112.09842	0.6
117.42355	0.6
163.14838	0.8
181.12325	1.9
187.31918	0.8
193.16008	0.7
207.13864	3.3
219.13887	4.7
235.16954	3.2
247.20665	2.4
273.18454	1.6
281.36508	0.7
291.19647	100.0
292.19983	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20969	0.5
57.03452	1.2
57.05717	0.4
59.01376	2.1
62.44544	0.4
69.95877	1.8
71.05031	3.0
73.23792	0.5
81.72724	0.6
83.05044	0.7
83.77941	0.6
95.05047	1.1
97.06607	1.2
98.03163	0.5
102.56156	0.5
103.42568	0.5
111.08154	10.7
113.09742	1.0
113.10513	0.5
123.08125	0.6
136.10059	0.5
137.09732	1.3
149.09668	0.7
164.47601	0.5
165.12881	0.6
167.10803	1.5
177.12886	1.6
179.10774	1.8
195.13895	7.6
203.14360	0.6
235.16975	0.5
247.20644	2.3
273.18597	2.0
291.19653	100.0
292.19983	8.7
311.06628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
61.98827	100.0
63.06786	1.0
69.44479	8.0
71.01373	2.5
75.26149	1.0
76.18767	1.2
98.20655	2.1
111.60175	1.1
156.22493	1.2
167.15683	1.1
213.48825	1.1
219.35092	1.3
222.77748	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1085
Annotation	Itoside L
Peak:m/z	Relative Intensity
50.00954	1.3
55.01884	5.1
57.03445	5.7
57.33533	1.1
58.00597	3.8
59.01378	100.0
60.01726	2.0
60.67332	1.2
65.42661	1.3
65.70930	1.1
67.05537	3.5
69.75929	7.8
71.01381	83.2
72.99318	3.1
73.02950	14.2
83.01389	10.9
85.02956	28.4
87.00877	3.1
89.02444	60.5
95.01414	6.3
96.96008	3.7
98.19910	1.7
99.00887	5.7
101.02441	65.1
103.84469	1.3
111.04518	3.0
113.02453	29.0
119.03507	26.9
125.02396	1.3
129.05527	3.2
131.03481	1.8
143.03493	3.6
149.04564	1.4
159.02989	3.4
161.04546	19.9
179.05618	4.3
247.11835	19.0
248.12253	1.8
291.10880	42.8
291.19531	2.9
292.11163	2.1
311.02859	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03738	0.2
58.90673	0.2
59.01374	0.4
68.83966	0.2
69.78978	0.8
71.01393	0.2
73.75713	0.2
80.02670	0.3
95.05029	0.4
97.06613	0.4
106.04250	0.3
113.06076	0.3
119.05004	0.3
123.16123	0.2
125.06077	0.6
147.08275	0.3
148.08945	1.6
149.09630	0.4
150.10497	1.4
151.11292	0.6
159.12679	0.2
163.11307	1.2
165.12846	18.8
166.13174	0.9
175.11241	0.7
176.12115	0.7
177.12772	0.3
179.14397	0.3
191.14397	0.5
196.57762	0.2
217.15785	0.5
223.13316	0.3
232.67363	0.2
245.19055	0.6
247.20676	10.1
248.21036	1.0
273.18579	5.6
274.18872	0.3
291.19641	100.0
292.19986	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	290.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85548	1.0
59.47883	0.9
61.11001	1.1
61.98832	100.0
75.27631	1.1
76.49319	1.0
83.08411	1.0
90.78268	1.0
98.19742	2.1
103.85478	1.0
131.91763	1.0
152.37682	1.0
159.59299	1.2
183.13895	1.6
254.41151	1.1
286.69095	1.0
290.18372	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	289.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44104	0.3
55.01864	0.6
57.16901	0.3
59.01384	2.8
61.66712	0.4
67.34337	0.3
69.03443	0.7
71.01382	0.4
71.05019	14.6
71.55663	0.4
79.86403	0.4
83.04995	0.8
84.79501	0.4
95.05034	1.0
97.06583	6.9
107.08673	0.5
109.06572	1.4
119.08665	0.5
121.10248	0.6
123.08154	3.1
134.07440	0.4
149.09708	0.5
161.13414	1.0
161.45216	0.4
173.13348	0.6
191.14388	0.8
217.12196	0.9
233.15451	1.5
245.19104	3.3
289.18079	100.0
290.18430	8.9
306.82385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.8
59.01390	3.9
65.03959	0.9
67.05526	3.2
68.76805	0.7
69.81516	3.5
83.05036	1.2
87.00738	0.8
93.03474	3.6
95.04997	0.8
97.06626	1.1
104.67365	0.7
104.96827	0.8
105.35104	0.9
106.04239	0.7
107.05013	1.0
109.06583	11.5
111.08160	4.3
112.13775	0.7
119.05041	1.2
121.10194	0.7
135.08159	1.0
137.09665	1.7
149.09697	0.8
167.10762	1.8
170.24219	0.7
175.11234	1.2
176.17696	0.6
177.09149	1.2
177.12866	1.7
177.88170	0.7
179.10803	1.6
193.12325	2.0
195.13882	6.0
203.10703	0.9
245.19139	5.5
271.17035	6.0
289.03729	6.0
289.18085	100.0
290.18369	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	289.1809
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.38280	0.2
52.79973	0.3
55.99261	0.3
56.43136	0.3
57.03447	0.9
59.01378	1.7
62.52125	0.3
65.03963	0.8
68.80379	0.2
69.03448	0.3
69.86114	1.5
80.02675	0.3
83.05038	1.0
85.02968	0.3
95.05038	0.8
97.06596	1.3
106.04241	0.8
107.05035	0.3
109.06587	4.7
111.08169	0.7
111.76757	0.3
119.08665	39.4
120.09027	1.4
121.06613	0.6
121.10181	0.5
122.39670	0.3
123.08151	1.7
125.09727	7.2
133.10266	0.3
135.08174	0.4
137.09760	0.7
143.10760	0.9
145.06624	1.4
149.09717	0.7
151.11249	0.4
159.08186	0.6
160.08888	1.4
163.11298	0.5
167.10783	1.0
173.50533	0.3
179.10658	0.4
181.12350	0.3
192.04225	0.7
233.15477	8.3
245.19130	4.1
261.18484	0.4
271.16983	1.5
287.16467	1.0
289.18082	100.0
290.18451	7.8
291.72253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1809
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
57.03450	0.7
59.01378	1.8
65.03971	0.6
69.12672	0.4
70.82674	0.7
70.83011	0.8
73.02962	0.5
73.59612	0.3
75.08289	0.4
83.05034	0.4
86.74437	0.3
89.30267	0.3
109.06593	0.8
119.08681	3.8
121.06559	0.5
145.06616	1.7
147.08260	0.4
147.60001	0.3
149.09846	0.4
154.29088	0.3
160.08940	9.8
161.56203	0.3
166.06384	0.4
167.10744	0.3
189.16548	2.0
189.73613	0.3
192.04358	0.4
215.14438	0.4
226.44885	0.3
233.15453	56.6
234.15773	3.4
245.19052	2.2
271.17130	1.8
289.18085	100.0
290.18436	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	288.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.1
61.98829	100.0
71.01391	1.4
73.02953	0.6
89.02446	1.1
99.04531	0.7
122.06129	0.7
125.06115	1.3
132.03619	0.7
132.88997	0.7
158.11348	0.7
165.09213	1.1
167.46251	0.7
183.10309	2.2
229.10857	0.7
244.61688	0.7
271.11127	1.3
288.15543	1.3
289.12512	0.9
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
54.94123	0.2
55.32943	0.2
59.01370	0.3
71.20672	0.3
73.87011	0.2
81.03446	1.2
92.05076	0.8
93.03465	1.0
94.03045	0.3
108.02180	0.5
108.04556	2.7
109.02945	4.2
121.02910	0.4
124.01616	0.5
134.02478	35.7
135.03288	8.3
136.04041	35.3
136.68692	0.3
137.02440	1.7
137.04372	0.9
147.04483	0.3
148.04047	1.0
149.04790	1.4
176.03516	4.4
177.04242	0.4
190.05141	0.5
192.04279	0.5
204.06595	0.6
240.97318	0.3
288.16040	100.0
289.03851	0.5
289.16055	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	289.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39943	0.2
54.14363	0.2
59.01404	0.2
69.52866	1.3
70.05104	0.2
79.95731	4.0
96.96008	100.0
110.97601	0.5
126.99556	0.2
147.08214	0.4
171.10146	0.2
191.07170	0.3
209.08171	0.4
251.98474	0.2
289.03864	27.8
290.04227	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08451	2.5
57.03418	3.9
59.01363	13.6
65.18256	3.1
71.01372	10.5
71.49254	4.7
72.99322	3.4
73.04063	5.2
74.32132	2.8
77.25610	2.9
85.02972	8.6
85.49042	3.0
87.00874	100.0
95.05038	4.6
96.95998	4.5
97.06567	8.9
99.00866	3.8
99.08134	4.3
101.02420	8.2
107.05022	5.9
108.02164	3.2
116.13776	3.7
123.04504	7.6
125.06071	6.4
127.07642	17.2
129.01938	12.3
130.08746	34.4
135.96928	2.8
137.06038	4.0
139.07632	19.3
143.11905	6.3
147.02962	7.8
149.06071	10.2
151.07631	5.1
155.07132	37.6
159.04776	5.3
167.07152	30.2
172.05704	3.0
185.08078	3.8
187.10880	35.0
212.68561	3.1
227.09079	6.3
231.13451	34.5
289.09283	29.0
290.07050	3.2
290.24887	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	287.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.7
69.03442	0.5
69.26383	3.6
71.01380	13.8
87.00848	0.4
88.04911	0.4
89.02444	1.9
101.02438	0.4
132.15723	0.4
147.80058	0.4
151.11328	1.2
153.09163	0.4
153.12842	1.2
169.12335	5.8
197.11821	100.0
198.12144	4.4
199.13295	0.9
209.11778	0.5
225.11365	0.4
227.12854	4.9
241.14413	0.8
251.12891	1.2
269.14166	0.5
287.15225	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	288.0767
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
55.76911	0.3
56.31775	0.3
59.01377	9.0
67.95386	0.4
69.72432	2.2
82.06622	0.6
90.97125	0.8
100.56267	0.5
113.22536	0.4
130.08739	100.0
130.88968	0.7
131.09093	2.2
132.98218	1.4
141.98167	0.8
144.87000	0.7
146.86699	1.0
160.97664	1.2
162.95613	0.7
169.99950	0.5
174.99236	0.5
184.97678	1.2
187.98830	0.7
202.98795	1.3
227.97955	0.4
228.01971	0.6
228.96843	0.5
244.05014	3.1
246.06596	2.5
288.07639	65.7
289.07947	2.9
291.15045	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01143	0.3
59.01382	3.5
61.98816	1.1
69.96381	1.7
71.01392	2.1
73.02949	0.7
79.89022	0.3
82.02982	0.5
83.05035	0.8
85.02953	1.3
87.04533	0.4
97.06582	1.1
98.19908	0.4
104.80692	0.3
108.54458	0.3
109.06585	0.7
115.00409	0.5
121.03022	0.4
123.04504	0.4
125.00690	0.6
133.01465	0.5
133.02943	0.4
135.04533	0.9
153.00124	4.0
154.00941	18.2
155.01245	0.5
155.06946	0.4
163.03995	0.5
165.00104	0.3
167.01709	0.7
169.03279	1.1
174.92458	0.4
180.99680	0.4
184.01979	100.0
185.02321	3.4
199.04329	90.7
200.04668	4.1
287.02679	0.6
287.05991	6.4
287.10107	1.4
287.14935	6.6
288.06314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0614
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
67.95611	0.4
81.03462	0.9
93.03435	0.7
108.02170	100.0
109.02985	13.7
121.02924	0.8
123.04544	0.7
133.02979	1.0
135.00858	0.6
151.04013	1.7
152.01146	62.9
153.01938	29.4
154.02267	0.8
163.03934	1.0
165.01875	0.5
173.61110	0.5
247.22099	0.4
268.10834	0.4
285.06140	70.0
286.06451	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	285.2071
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03438	0.5
59.01375	4.0
59.09264	0.4
59.32993	0.4
59.39192	0.4
61.98835	1.2
63.36910	0.4
66.97488	0.4
71.55391	0.7
78.79974	0.4
78.95905	1.0
84.95901	0.4
107.04615	0.4
112.04813	0.4
123.04462	0.6
176.27274	0.5
203.02333	0.7
221.19090	0.8
223.20654	61.1
224.21033	4.1
241.21701	1.0
267.19632	34.5
268.19998	2.1
285.03876	0.7
285.20691	100.0
285.52347	0.4
286.21042	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	285.0404
Annotation	Luteolin
Peak:m/z	Relative Intensity
59.01369	0.5
63.02383	0.8
65.00321	2.3
69.53260	0.7
69.53671	0.8
71.01357	0.3
83.01391	1.3
91.61262	0.2
93.03449	0.2
105.03475	0.5
107.01387	4.2
116.74256	0.3
121.02935	0.9
132.02200	0.3
133.02950	24.5
134.03299	1.0
135.04512	0.2
149.02429	3.0
151.00362	7.9
171.04465	0.5
175.03981	4.8
185.06006	0.6
197.06046	0.5
198.03232	0.6
199.04013	4.3
201.02007	1.5
211.03920	0.3
212.04538	0.2
213.05542	0.6
215.03455	0.7
217.05009	2.1
223.04021	0.7
225.59789	0.2
229.04950	0.4
241.05038	1.1
241.14470	4.4
243.02936	1.0
257.04572	0.6
267.02924	0.7
284.26923	0.4
285.04028	100.0
286.04376	6.8
309.59286	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.155
Annotation	Hysterone D
Peak:m/z	Relative Intensity
56.28839	0.4
59.01379	100.0
60.01712	1.3
61.98832	0.9
71.01389	4.4
71.54389	0.5
72.99325	1.6
75.00877	1.9
85.02967	0.8
89.02449	4.5
96.96034	1.8
101.02458	2.4
107.33834	0.4
113.02470	1.4
119.03510	1.3
121.06620	0.6
140.12653	0.5
161.04611	0.6
161.09631	0.6
163.06096	0.8
165.09184	1.6
201.02594	0.7
209.11742	0.5
223.08148	0.6
255.03076	0.6
283.06027	0.6
283.11920	0.6
283.15512	2.4
283.26422	26.5
284.26730	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	283.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66656	1.1
57.03445	3.9
59.01379	48.2
66.35723	1.0
69.03454	2.7
71.01386	1.6
71.05033	1.3
71.54587	1.9
76.60675	1.0
101.02435	1.4
101.82549	1.0
109.06536	1.1
163.06088	2.5
167.10754	4.4
171.57817	1.2
179.10764	1.5
179.14413	5.5
195.13885	10.8
201.02586	2.3
205.12355	10.7
221.15469	37.0
223.13393	90.5
224.13777	3.9
239.16508	32.0
240.16946	2.4
255.02989	1.9
265.14438	11.3
283.15515	100.0
283.26401	50.3
284.03333	1.9
284.15887	7.7
284.26791	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	283.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03367	0.7
53.31635	0.8
57.03450	1.5
58.12242	1.0
59.01378	100.0
73.02951	1.4
87.00862	1.2
97.06612	1.1
98.19891	2.4
104.27370	0.8
109.06581	8.2
110.12266	0.8
111.56906	0.8
121.06577	2.9
129.49681	0.9
163.06134	1.5
165.12839	1.0
189.12819	6.7
191.10843	4.3
201.02548	2.6
207.13902	34.8
208.14223	1.7
209.11818	0.8
223.08347	0.9
251.12845	11.4
261.81009	1.0
283.15564	10.5
283.18835	1.7
283.26401	37.1
284.26901	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	281.2486
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
55.96244	0.3
60.06261	0.3
69.97753	0.4
71.34926	0.8
81.57624	0.4
129.64928	0.4
176.84428	0.4
204.73476	0.4
281.24860	100.0
282.25208	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	282.0845
Annotation	Guanosine
Peak:m/z	Relative Intensity
59.01379	2.8
61.98835	2.3
66.00968	0.8
69.61169	1.3
71.01381	0.9
72.64946	0.2
72.68741	0.2
73.02895	0.3
82.04122	0.8
89.02446	0.3
101.02450	0.6
102.02798	0.3
107.03627	4.1
108.02039	8.7
113.02441	0.3
119.03592	0.4
121.05058	0.3
123.68264	0.2
126.03100	3.9
133.01559	28.4
134.01910	0.4
137.94496	0.5
139.94231	1.2
146.86684	0.3
148.86386	0.4
149.25972	0.3
150.04205	100.0
151.04697	1.8
161.04559	0.3
162.05682	0.5
174.05577	0.4
179.95479	0.3
181.95271	0.8
223.08090	0.3
228.90179	0.2
255.04732	0.3
281.95340	1.0
282.08417	31.3
282.25119	0.4
283.08838	1.4
283.26370	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	281.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14344	3.8
58.26582	3.1
59.01377	100.0
71.01368	22.8
71.10487	5.1
71.10804	4.5
72.99306	4.5
73.02935	35.4
83.01380	9.2
87.06467	3.8
89.02464	6.3
93.03427	5.6
94.23837	4.1
96.96001	11.5
97.06585	4.3
101.02441	30.7
102.22974	4.2
106.37043	3.5
108.02098	3.7
109.06528	3.1
113.02409	10.6
119.05042	6.0
121.02908	6.6
140.04161	3.9
149.04335	4.0
161.04559	6.3
221.06700	4.3
227.12866	9.6
235.04941	3.5
239.12822	3.8
265.43918	3.3
281.09634	4.4
281.13843	12.8
281.24820	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	281.2121
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
59.01376	8.2
69.93675	0.4
70.77939	0.5
70.78264	0.8
71.01348	0.5
83.05038	0.7
85.06600	0.4
99.08160	1.7
101.02469	0.5
156.44835	0.5
177.12846	1.2
179.14473	1.2
184.62988	0.4
195.13901	18.4
196.14311	0.7
205.16013	2.1
221.08803	0.5
237.22166	0.8
263.20129	18.4
264.20486	1.4
281.21216	100.0
281.24625	6.7
282.21561	6.7
282.24661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1965
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
57.03434	0.4
59.01376	1.5
60.46983	0.3
69.03429	0.4
69.84375	2.1
75.96277	0.4
77.14562	0.3
83.05032	0.4
97.06575	0.8
108.48433	0.4
125.09727	0.4
148.94638	0.4
167.10782	0.5
179.14423	0.7
195.12080	0.7
195.13889	13.0
196.14720	1.0
205.12215	1.0
205.15964	0.7
206.26289	0.5
208.60306	0.4
211.13411	1.1
217.19528	0.7
222.29163	0.4
223.13394	9.9
224.14116	0.5
228.13719	1.9
239.12930	0.8
251.20024	0.6
256.13165	3.7
261.18579	8.1
262.18982	0.9
279.19647	100.0
279.22952	5.9
280.20020	6.3
280.23184	0.8
286.29480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53960	0.4
85.91313	0.3
93.25338	0.3
95.54852	0.3
187.38931	0.3
279.23288	100.0
280.23624	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	279.2326
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
52.13046	0.3
58.81422	0.3
66.36780	0.4
73.39169	0.4
83.81617	0.4
90.44326	0.4
142.56384	0.3
145.60480	0.4
149.41330	0.3
153.28888	0.3
224.84593	0.4
248.31097	0.4
279.23264	100.0
280.23615	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	281.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31331	3.6
58.31308	2.9
59.01376	100.0
61.37079	3.3
66.09530	3.3
69.45943	25.5
71.01374	20.4
73.02945	30.8
74.06134	3.0
83.01399	8.3
86.18082	3.8
89.02432	5.2
96.02956	2.8
96.96011	5.8
98.19862	3.4
101.02446	22.9
113.02435	7.8
146.24203	3.2
161.04509	7.7
237.14967	6.7
281.10956	5.0
281.13879	5.4
281.24841	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1964
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
53.62561	0.4
59.01391	2.6
71.01384	0.8
83.05010	0.6
83.26939	0.5
90.09627	0.5
92.50408	0.5
96.96021	1.4
98.20747	1.2
110.31935	0.5
111.08154	1.5
113.09715	7.6
121.10242	0.7
132.96654	0.5
139.11316	2.4
153.09225	1.2
165.09203	0.7
177.12885	0.6
187.22870	0.6
205.15982	1.6
217.19629	0.7
229.46840	0.6
235.20728	2.8
243.17551	0.7
251.20149	29.7
252.20486	1.8
261.18567	12.4
262.19098	0.7
279.19666	100.0
279.23108	13.5
280.19980	8.1
280.23270	0.9
295.64261	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1966
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
57.03440	2.5
59.01384	4.9
66.59035	0.6
68.60332	0.6
69.74056	2.1
69.74465	1.1
70.89896	0.5
71.01389	0.7
73.02914	0.6
83.05054	0.7
84.13912	0.5
94.94820	0.5
96.96008	3.5
97.60396	0.5
109.06636	0.6
111.08150	0.6
113.09729	11.2
134.89479	1.2
139.11278	1.7
153.09239	0.8
163.11270	0.7
165.09276	1.0
174.86006	0.5
177.12854	1.0
181.12430	0.8
183.13887	1.5
211.13377	0.6
223.16983	2.6
235.17049	1.9
235.20612	3.8
243.79118	0.8
251.20157	11.8
261.18573	8.3
279.19666	100.0
279.23120	13.4
280.20026	6.0
283.86990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1237
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
57.03445	11.6
59.01366	4.0
68.74222	0.9
69.03448	1.8
70.30820	0.8
71.01379	3.3
71.54908	1.1
79.05510	1.2
83.05008	3.6
85.02962	1.0
87.00877	3.2
90.98592	15.0
93.07088	1.3
95.05018	2.6
96.96004	5.3
97.02969	8.4
97.06586	2.6
97.39403	0.9
99.04498	1.1
107.05007	1.2
109.02947	7.2
109.06588	7.5
111.04536	5.9
119.05005	1.7
119.08640	3.7
121.02924	1.2
121.06612	4.8
122.03747	15.5
123.04492	3.9
123.08165	2.5
124.05296	17.9
125.02444	1.3
125.06101	5.6
127.50621	1.0
129.07428	10.7
133.01436	1.0
134.03706	6.2
135.04524	6.7
135.08125	2.3
137.06099	13.2
137.09695	1.7
139.07655	100.0
140.07953	2.6
144.25645	0.9
145.10172	1.2
147.08441	11.0
148.05312	0.9
149.06013	1.7
163.03957	2.3
163.07669	2.1
163.11307	2.0
168.07916	30.1
169.08603	2.4
171.08122	3.8
172.08826	1.2
173.06392	2.6
175.07460	1.2
175.11227	2.3
177.05557	1.2
177.12776	1.7
179.00148	4.2
180.07956	1.4
187.07668	1.6
187.11275	19.3
189.09146	2.4
190.10049	4.7
191.07413	4.8
199.09589	1.0
203.10826	1.1
205.12334	39.7
206.12628	1.4
217.09088	5.0
217.12325	2.8
225.11299	2.3
228.11543	1.0
231.10234	1.4
235.10046	2.3
235.13316	5.6
249.11276	2.8
261.07883	2.0
261.11206	1.5
261.14890	4.3
279.08914	10.6
279.12338	13.6
279.15585	2.0
279.23318	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	279.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78482	0.6
57.03436	2.6
59.01384	3.3
59.22395	0.5
60.43514	0.5
69.17931	2.9
69.18356	2.7
71.01394	0.9
83.05021	1.4
96.96013	2.1
98.19872	1.4
99.08153	20.6
100.08574	0.5
102.91032	0.6
109.06598	0.7
123.08149	0.6
125.09718	2.5
133.51802	0.6
139.07669	0.6
149.09778	0.7
167.10764	2.2
171.10268	0.7
176.89078	0.5
177.12872	1.3
179.10764	1.8
195.13889	3.4
213.49054	0.5
235.17021	2.5
235.20618	2.6
251.20135	2.0
260.76547	0.6
261.18546	2.7
279.19611	100.0
279.23190	34.8
280.19919	6.7
280.23465	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
59.01372	0.7
71.01376	0.4
71.05023	0.5
71.54951	0.3
79.95760	1.1
80.96518	0.3
96.96008	100.0
97.95949	0.3
109.02939	0.3
120.99648	0.7
131.25050	0.2
133.02998	0.3
134.03734	0.7
135.04507	0.4
153.12839	1.2
181.12346	0.3
199.13390	12.8
200.13791	0.5
207.10371	0.3
225.11313	0.6
235.10034	1.2
243.12405	0.7
250.15433	0.3
261.15070	0.6
279.09055	63.9
279.23242	6.0
280.09326	2.8
280.23755	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1084
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
55.01871	1.2
57.03435	1.0
58.00584	2.7
59.01376	100.0
68.55769	0.7
70.85943	2.2
71.01377	43.5
71.04982	1.0
72.99315	1.6
73.02940	1.4
74.17859	0.8
77.62468	0.8
83.01382	3.4
85.02951	8.7
87.00886	2.0
89.02442	49.8
95.01378	3.2
99.04517	2.3
101.02437	31.2
113.02443	17.3
117.05582	6.3
119.03492	22.3
131.03497	2.4
143.03552	1.2
152.04344	0.8
154.62903	0.8
161.04544	2.3
172.79137	0.8
179.05577	3.2
223.18208	1.0
237.09784	5.3
278.95432	1.0
279.10828	68.2
279.23248	1.8
280.11078	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95754	0.8
59.01356	1.7
69.28441	8.0
71.01378	31.6
75.89086	0.9
80.96497	1.4
83.18438	0.8
93.03414	1.2
98.20690	2.1
115.00364	18.2
119.05017	57.8
120.05341	2.2
122.81586	0.9
133.01414	31.1
162.68596	0.8
163.03999	100.0
164.04314	2.4
176.01076	1.5
191.03439	2.6
208.22633	0.9
219.02913	2.0
231.93687	0.9
234.05327	1.7
249.07574	1.7
279.08746	2.8
279.23212	11.2
283.09708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
59.01372	0.7
71.01376	0.4
71.05023	0.5
71.54951	0.3
79.95760	1.1
80.96518	0.3
96.96008	100.0
97.95949	0.3
109.02939	0.3
120.99648	0.7
131.25050	0.2
133.02998	0.3
134.03734	0.7
135.04507	0.4
153.12839	1.2
181.12346	0.3
199.13390	12.8
200.13791	0.5
207.10371	0.3
225.11313	0.6
235.10034	1.2
243.12405	0.7
250.15433	0.3
261.15070	0.6
279.09055	63.9
279.23242	6.0
280.09326	2.8
280.23755	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2168
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01376	3.1
70.33610	0.7
71.01380	0.6
79.95745	0.3
121.02975	0.4
122.96091	0.2
127.07639	0.4
160.62634	0.2
173.26035	0.2
174.08203	0.2
205.15892	0.4
233.19180	0.2
233.22696	0.7
259.20624	0.4
277.21698	100.0
278.18988	0.4
278.22021	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
56.08292	0.2
59.01376	0.8
69.38205	1.6
69.90699	0.2
87.93846	0.2
127.07655	0.3
136.08107	0.2
149.42175	0.2
233.22824	0.4
259.20886	0.2
275.20093	0.4
277.21710	100.0
278.22037	7.6
278.78802	0.2
279.71326	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29577	1.9
59.01376	47.4
59.75258	1.6
61.98820	10.8
65.73724	1.7
66.03455	5.0
68.78874	1.9
70.37848	4.0
70.38221	3.3
71.01375	12.3
73.02930	2.3
77.46013	1.8
77.62973	1.7
80.57040	1.7
82.02982	7.5
85.02939	4.4
87.00849	1.8
87.98474	1.8
89.02435	11.6
101.02427	8.4
110.02476	36.0
111.01272	3.5
111.02000	43.0
111.02760	2.1
113.02441	5.1
113.38049	2.3
119.03493	5.5
128.89195	6.9
130.88902	8.1
137.94475	4.5
140.03474	2.9
144.86943	6.7
152.03479	8.2
153.03088	3.2
161.04482	2.5
161.12738	1.7
179.95503	2.4
200.05608	10.9
237.09731	6.5
243.06187	100.0
244.06552	3.4
279.03955	14.4
279.10852	15.3
301.35825	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	277.1226
Annotation	(4E,6E)-1-(4-hydroxyphenyl)-7-phenylhepta-4,6-dien-3-one
Peak:m/z	Relative Intensity
53.42356	0.5
58.02975	14.9
58.99636	0.5
59.01376	5.5
70.81175	1.6
71.01382	3.6
72.99326	0.9
73.02956	1.5
74.02466	0.9
80.96516	0.9
85.02943	1.4
87.02746	3.0
89.02428	1.3
96.96028	1.1
97.04079	1.3
99.05639	18.5
101.02464	3.1
104.37757	0.5
113.02461	1.5
115.07657	1.2
116.01793	3.1
119.03490	0.6
120.10622	0.6
121.02972	1.2
130.06624	1.7
131.05394	1.8
133.04413	5.3
133.06932	39.5
134.07205	0.6
143.04620	100.0
144.04912	1.2
145.06866	0.8
146.06052	0.6
159.04819	1.9
161.04567	1.2
169.40997	0.5
171.04820	1.5
174.05544	1.9
190.05017	1.6
198.68968	0.6
265.03714	0.6
277.07870	3.3
277.12250	39.4
277.21716	29.3
277.24847	1.1
278.12625	1.9
278.22058	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	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03238	0.4
59.01375	1.3
66.11013	0.5
70.30076	1.6
70.30425	0.6
87.88332	0.5
94.95790	0.5
110.55676	0.5
159.50435	0.5
235.38063	0.6
277.21695	100.0
278.22009	7.4
291.71268	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.6
70.03968	1.2
71.01356	0.6
71.95490	0.3
79.95737	0.4
81.34185	0.3
83.04995	0.5
87.32982	0.3
112.98576	0.3
121.02921	0.4
127.60052	0.3
178.29329	0.3
205.16008	0.7
233.19072	0.3
233.22633	0.5
239.98151	0.3
259.20441	0.4
268.22861	0.3
277.18427	5.1
277.21692	100.0
278.18866	0.6
278.22025	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	275.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34149	0.2
55.28191	0.2
59.01105	0.3
59.01377	4.4
70.69227	0.6
71.01367	0.7
83.05042	0.4
91.13225	0.2
92.85683	0.2
96.34007	0.2
98.20002	0.3
107.78609	0.2
109.06611	0.3
109.41939	0.2
127.07659	0.3
134.03758	0.2
177.09227	0.3
177.16452	1.7
189.16414	0.4
203.18074	0.4
231.17610	0.4
231.21181	7.9
232.21423	0.5
238.29485	0.3
246.79205	0.3
257.19083	0.8
273.18478	0.3
275.20132	100.0
276.20483	6.8
290.26709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2015
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
59.01369	4.8
59.73066	0.6
70.25685	0.6
70.27538	0.9
70.27866	1.4
75.03394	0.7
81.24465	0.6
124.82835	0.6
146.77130	0.6
177.16469	2.6
192.95848	0.8
231.21143	8.4
257.19131	0.9
275.20145	100.0
276.20502	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	271.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30281	0.6
55.68497	0.7
56.42166	0.6
57.03441	1.9
57.82747	0.7
59.01371	4.0
63.67328	0.6
68.99579	0.8
71.01395	0.7
71.05014	9.1
79.46482	0.6
85.06588	1.3
89.02470	1.5
109.02921	1.2
112.98556	1.2
118.47272	0.7
125.02506	1.2
133.75258	0.7
138.32451	0.6
155.00024	0.6
176.98787	2.0
183.17526	7.6
197.19098	9.7
225.22220	17.8
226.22545	1.2
241.04994	0.7
253.21617	1.6
266.64386	0.7
271.22781	100.0
272.23135	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	271.2279
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.01870	0.4
55.21610	0.3
57.03436	0.4
59.01368	0.6
61.98812	0.4
63.77142	0.3
71.01339	0.3
72.99291	0.4
84.02155	0.3
89.02443	0.8
112.79155	0.3
125.02402	0.7
141.95488	0.3
197.19119	1.0
221.19116	0.5
223.20656	3.9
225.22218	60.9
226.22539	2.9
253.21675	1.6
269.21100	0.4
271.22763	100.0
272.23129	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	273.0339
Annotation	ensulizole
Peak:m/z	Relative Intensity
55.36985	0.2
56.97370	0.3
59.01375	2.7
61.36527	0.2
62.00925	0.3
62.27050	0.3
71.01379	0.6
71.55083	0.3
74.02496	0.3
75.00847	0.3
79.91551	0.3
79.95711	2.8
80.96506	0.4
82.63239	0.3
87.00909	0.4
96.96011	1.5
134.03732	0.5
139.07642	0.6
169.08719	1.7
170.00441	0.3
175.72966	0.3
178.02702	0.8
180.30618	0.2
182.11787	0.3
193.07692	100.0
194.08025	4.7
208.06354	0.5
209.07166	1.1
231.12306	0.3
233.05779	2.1
273.03369	93.2
274.03647	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	271.228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
59.01374	0.9
65.31519	0.3
68.99559	1.2
71.55230	0.4
72.04660	0.3
83.05000	0.3
89.02426	0.6
97.06594	1.0
99.08160	5.4
108.02185	0.6
108.80869	0.3
109.02924	0.8
112.98579	1.0
113.09733	0.4
125.02386	0.4
132.34079	0.3
134.97745	0.6
149.33861	0.3
155.14404	5.0
156.14687	0.4
158.37865	0.4
169.15950	0.6
176.98775	1.8
225.22223	6.5
235.20522	0.5
253.21793	0.8
269.21152	1.2
271.22769	100.0
272.23126	6.0
279.28693	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2278
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
59.01377	1.2
68.99566	1.4
77.86700	0.2
84.09701	0.3
89.02436	0.4
89.10769	0.2
91.83442	0.2
98.26584	0.2
108.02163	0.6
109.02917	0.5
112.98570	1.7
113.18597	0.3
125.02412	0.7
134.97771	0.6
176.98798	3.2
225.22218	3.5
229.43597	0.3
241.04964	0.4
253.21756	1.5
269.21158	1.1
270.97552	0.3
271.22763	100.0
272.23126	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	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
50.00538	0.4
59.01381	0.9
61.56888	0.4
61.98820	0.5
68.99561	0.5
69.89014	1.7
83.05045	1.8
85.06594	8.3
89.02469	0.6
99.08160	1.4
108.02148	0.6
109.02946	0.7
111.08156	0.4
112.98628	0.9
116.21041	0.4
125.02402	0.6
151.57031	0.4
167.14401	1.0
169.15977	8.1
176.98820	1.5
184.79944	0.4
199.09258	0.4
225.22253	13.5
226.22514	0.5
235.20685	0.7
251.20212	0.4
253.21704	1.2
269.21265	1.5
271.22791	100.0
272.20285	0.5
272.23151	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	271.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.8
59.01379	4.0
67.01912	1.1
69.03460	0.6
70.83141	1.1
71.01399	1.8
73.02956	0.6
74.02517	0.6
78.17667	0.5
80.02686	1.6
81.03455	3.2
83.05025	10.0
83.05468	0.8
84.02147	2.7
85.02955	4.8
87.00931	0.6
89.83868	0.5
95.05040	1.2
97.02988	1.9
97.06604	1.1
100.54372	0.5
105.84460	0.6
107.05024	0.9
108.02182	1.5
109.02933	0.6
109.06599	4.5
110.03751	2.6
123.04561	0.9
123.08186	1.2
125.02483	1.0
125.09718	1.1
134.97818	0.6
136.05298	0.9
142.02737	2.8
149.09698	1.4
153.09180	0.8
167.10745	1.0
171.10252	2.0
175.11279	1.5
176.98747	0.7
177.12843	13.0
193.12315	1.8
195.10271	3.1
195.13890	9.0
197.11885	0.8
203.10788	1.7
211.13361	1.8
213.11307	3.1
221.11813	100.0
222.12163	4.4
226.85176	0.6
227.12930	0.9
229.14462	0.8
235.13466	0.7
239.12880	39.3
240.13124	1.6
241.05019	1.0
245.37715	0.5
253.14407	1.5
255.12488	0.6
256.07227	0.9
271.06039	1.6
271.12454	1.2
271.15475	22.6
271.22791	1.8
272.15866	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1185
Annotation	Tensyuic acid D
Peak:m/z	Relative Intensity
57.03450	13.0
59.01371	10.4
63.05319	2.0
67.01887	4.4
68.99825	51.0
69.03435	3.9
70.37150	1.9
71.01373	5.5
71.55077	2.6
73.02943	2.1
81.03449	3.1
83.05024	9.9
84.02164	1.8
85.02946	14.7
95.05003	4.6
97.02940	3.6
97.06594	12.2
98.03705	2.5
103.24934	1.6
108.02201	2.1
109.02948	2.9
109.06571	3.9
121.02893	2.0
123.08176	6.4
125.09733	42.4
133.02968	2.2
137.09705	3.8
142.02734	2.0
149.09691	6.1
151.07719	1.9
151.11279	35.6
153.09224	23.3
155.10727	2.9
165.09236	4.6
167.10782	15.5
171.10228	4.5
176.98798	3.4
177.09232	15.2
177.12828	6.8
183.10197	3.1
192.11153	2.0
195.10258	100.0
195.13902	5.9
196.10535	3.7
197.11827	2.2
201.11255	2.1
221.09605	3.0
221.11816	61.5
227.12891	39.4
229.14352	5.0
239.09401	3.5
239.12862	30.0
271.11859	39.9
271.15524	17.8
271.18732	3.7
271.22763	6.5
272.12119	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	271.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83516	0.9
57.03428	0.8
59.01374	3.5
62.84653	0.8
64.26573	0.9
69.03472	0.9
70.74419	2.3
71.01373	4.2
72.99315	1.9
73.02935	1.0
76.08562	0.8
83.01371	2.7
83.04998	1.2
85.02964	1.0
97.06606	1.0
99.00878	2.6
101.02445	0.9
101.97556	0.8
108.02177	1.3
109.06544	2.0
111.00864	2.0
112.98800	6.0
113.02482	0.8
115.00381	1.1
123.08173	1.0
125.02442	1.1
130.08691	1.5
142.99863	3.1
153.00107	1.3
153.05530	2.7
155.01674	0.8
155.07153	1.1
167.07071	1.1
173.00899	2.0
174.01680	100.0
175.02129	2.8
176.01160	2.6
183.01219	5.2
191.03488	3.2
227.03793	1.1
227.09138	1.1
241.12033	1.6
271.10992	2.4
271.15469	2.9
271.22745	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	269.0454
Annotation	Apigenin
Peak:m/z	Relative Intensity
53.89890	0.2
63.02396	1.0
65.00320	3.2
68.59693	0.1
71.15135	0.4
77.23480	0.2
81.03453	0.2
83.01401	1.6
93.03470	0.4
105.03439	1.0
107.01392	6.0
117.03463	22.2
118.03793	0.5
121.02962	1.4
140.54237	0.1
146.12799	0.1
149.02437	8.9
151.00368	10.0
152.00711	0.2
159.04538	2.0
169.06589	0.4
176.14757	0.2
180.05840	0.5
181.06616	1.4
183.04482	1.5
185.02441	0.5
195.04477	0.2
196.05251	0.3
197.06068	0.7
201.05557	2.1
209.02515	0.2
224.04829	0.3
225.05573	3.3
225.15063	0.2
227.03496	1.6
241.04990	0.3
269.04535	100.0
270.04883	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1294
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
59.01368	1.0
59.94127	0.3
69.60825	1.5
69.61239	0.6
71.01335	0.4
87.00876	0.6
94.02966	0.5
96.35982	0.4
100.60427	0.3
120.04563	2.5
134.06137	0.7
136.07663	0.7
167.14374	0.4
172.07704	0.4
186.95627	0.5
211.08728	2.4
212.05911	0.5
213.10367	0.5
225.06828	0.7
225.10329	4.1
226.10756	0.9
226.12628	0.8
239.08258	3.8
239.11815	0.4
240.08870	0.7
241.13460	3.0
251.11685	0.5
253.09819	2.7
254.10596	11.0
269.05038	2.0
269.12943	100.0
269.21191	2.8
269.24805	1.4
270.13272	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	269.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78541	0.8
57.03439	2.6
59.01378	100.0
60.03166	0.7
61.30693	0.8
64.89419	0.9
71.01378	1.2
74.44405	0.8
81.03428	0.9
83.05043	0.9
87.00876	2.2
94.57473	0.8
96.96008	0.9
97.06616	1.0
99.04528	4.0
109.06586	2.5
118.61620	0.9
121.06598	1.2
159.28505	0.8
163.11241	1.2
165.12851	13.1
181.12267	1.0
189.12819	2.3
191.10767	2.9
193.92317	0.8
207.13893	19.7
207.15840	1.6
209.11812	24.1
210.12070	1.4
225.14928	13.0
235.10779	0.9
251.12886	13.3
269.04538	5.1
269.13922	87.7
269.21213	5.1
269.24783	2.5
270.14304	3.6
270.16995	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2121
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
57.03466	0.6
59.01365	1.2
61.55577	0.5
71.01390	0.6
71.55624	0.9
87.00877	1.2
89.02415	0.8
119.86946	0.5
125.09692	1.2
139.27899	0.5
141.12872	1.7
145.79852	0.6
153.10385	0.5
153.12828	0.6
155.10718	0.9
171.10275	1.2
186.95634	1.0
225.22234	1.3
251.20163	2.6
269.04538	1.5
269.21222	100.0
270.21552	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	269.2484
Annotation	Margaric acid
Peak:m/z	Relative Intensity
53.01564	0.6
58.64211	0.5
61.98835	0.7
70.87164	0.9
70.87496	0.9
76.76982	0.5
83.13671	0.6
124.42998	0.6
131.06218	0.6
133.28658	0.6
144.63678	0.6
187.47173	0.6
266.32004	0.6
269.04541	0.9
269.24832	100.0
270.25201	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	267.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41360	0.7
59.01375	4.5
63.01796	0.7
69.61919	1.5
69.62338	2.9
70.76619	0.8
73.02965	1.0
75.91019	0.7
85.02944	0.8
87.00874	1.0
92.97804	0.8
107.69773	0.7
121.02963	0.9
126.17845	0.7
153.12831	0.9
169.12294	5.9
188.40813	0.8
197.11824	52.7
198.12169	1.4
209.04662	1.1
249.18591	5.4
253.76216	0.7
267.19641	100.0
268.19928	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	267.1965
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
57.03442	1.0
59.01381	4.9
64.10142	0.4
70.06885	1.7
71.01406	0.5
74.82745	0.3
83.05024	0.4
85.06582	3.0
87.00835	0.6
99.46620	0.4
111.83892	0.4
129.45358	0.4
157.64122	0.4
175.50478	0.4
177.12727	0.4
179.14368	1.0
181.12383	0.4
195.13882	18.0
196.14253	0.8
209.04501	0.4
222.57063	0.4
249.18590	18.1
250.18889	1.0
267.19641	100.0
268.20013	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	267.2329
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
55.48627	0.4
59.01384	0.5
61.98822	0.4
62.00882	0.3
69.52529	2.5
96.96032	0.5
98.20627	0.7
98.95602	0.7
121.02972	0.4
190.30577	0.3
222.71861	0.3
267.23273	100.0
268.23608	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	269.0454
Annotation	Apigenin
Peak:m/z	Relative Intensity
57.63218	0.1
59.01353	0.3
63.02396	4.8
65.00319	2.5
69.00488	0.1
69.40347	0.2
69.40754	0.8
69.78297	0.1
74.61610	0.1
81.03461	0.1
81.70751	0.1
83.01389	0.6
89.00325	0.3
93.03452	0.8
105.03446	0.6
107.01385	4.5
117.03463	12.3
118.03788	0.3
121.02956	0.7
128.36577	0.1
135.04506	0.8
147.00854	0.2
148.01631	0.1
149.02435	3.4
151.00356	3.5
155.05031	0.3
157.06580	0.4
158.03705	0.2
159.04518	3.1
161.02400	1.3
167.04933	0.1
169.06630	0.9
171.04559	0.3
173.05960	0.2
180.05800	0.6
181.06593	1.1
182.03703	0.5
183.04556	1.2
185.02495	0.1
195.04510	0.4
196.05278	0.5
197.06096	1.1
199.04016	0.2
201.05569	1.0
203.03481	0.2
213.05528	0.3
221.46935	0.1
223.54948	0.1
224.04776	0.6
225.05533	2.5
226.05832	0.2
227.03450	1.1
241.05069	0.3
242.02092	0.2
268.03748	0.3
269.04535	100.0
270.04892	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	267.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24594	0.5
57.03426	0.7
59.01377	8.8
69.47237	1.1
69.47642	2.8
71.01383	0.9
83.05003	1.2
87.00853	0.7
97.06583	0.4
98.20673	0.9
113.09710	1.6
121.03052	0.6
125.74598	0.5
149.09697	3.0
149.10789	0.6
159.70711	0.5
167.10773	38.3
168.11131	1.3
191.14397	1.0
205.19666	1.2
223.16861	0.7
231.17439	1.2
246.30087	0.6
249.18581	25.8
250.18932	2.2
267.19641	100.0
268.20029	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	265.1809
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
57.03448	0.7
59.01109	0.5
59.01379	6.2
68.74108	0.4
69.03457	0.6
70.06314	1.8
71.01401	0.4
77.75302	0.4
79.06550	0.4
82.23373	0.4
83.05038	0.9
85.02950	2.8
85.06588	0.7
93.03469	0.5
96.95963	1.1
107.04994	0.4
109.06594	1.4
112.03657	0.4
149.13362	0.5
167.10756	0.9
169.12375	0.7
177.12842	1.0
179.14404	0.8
195.13881	10.2
196.14494	0.6
203.14441	1.9
203.18062	1.3
205.12300	1.6
217.12737	0.4
221.15428	0.9
221.19202	0.5
223.13403	8.5
224.13945	0.6
235.17010	1.1
237.18517	2.6
247.13409	4.2
247.17033	10.0
256.13153	1.8
265.14804	3.7
265.18076	100.0
266.18423	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2171
Annotation	Hydroprene
Peak:m/z	Relative Intensity
51.81501	0.2
53.75807	0.2
59.01374	2.1
70.61574	0.3
70.61937	0.6
74.09213	0.2
96.96008	5.5
115.60351	0.3
140.48071	0.3
165.78723	0.3
172.61044	0.3
247.20558	0.5
265.14969	5.3
265.21692	100.0
266.22028	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	267.1237
Annotation	Pectinolide C
Peak:m/z	Relative Intensity
57.03442	1.1
59.01378	2.0
59.11085	0.3
60.45960	0.4
70.62045	0.4
71.56357	0.5
71.85319	0.3
73.22061	0.4
78.30965	0.4
83.05050	0.4
84.02183	1.8
85.02962	0.4
95.05004	0.5
96.96003	1.4
97.06557	0.4
113.66567	0.4
121.03017	0.4
123.08086	0.5
144.59914	0.3
179.14418	0.6
205.12299	1.2
223.13376	100.0
224.13744	4.4
238.01360	0.4
249.14922	5.3
267.06265	0.5
267.12372	15.5
267.15918	3.4
268.12772	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19981	2.5
69.20403	1.4
79.95714	2.3
81.53987	0.4
95.95242	0.7
96.96008	100.0
265.14752	89.4
266.15067	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	265.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.4
70.02876	0.6
70.03270	0.6
70.90080	0.3
79.95732	2.1
91.93056	0.3
95.95276	0.4
96.96011	100.0
99.77768	0.2
113.41341	0.3
126.51968	0.3
194.23335	0.4
200.14357	0.3
219.05109	0.3
265.14767	91.8
266.15045	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	265.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.4
57.03428	6.2
59.00935	2.0
59.01380	81.3
71.01381	100.0
71.55312	2.2
72.32845	1.7
72.99302	4.4
73.02946	35.7
73.04051	2.7
75.00874	2.4
77.09541	1.4
79.95722	3.7
80.96528	3.0
81.94711	1.4
82.64111	1.6
83.00545	1.3
83.01386	14.9
85.02950	45.1
87.00887	4.7
87.04504	2.1
89.02428	17.6
95.01389	6.1
96.95999	5.5
97.02953	3.9
99.00902	12.9
101.02438	78.2
101.06055	2.6
113.02448	43.5
119.03484	6.6
125.02417	2.3
132.32921	1.4
132.75276	1.4
137.02409	2.0
143.03465	2.8
159.03004	12.5
161.03246	2.9
161.04552	46.5
161.05882	2.5
168.88850	2.7
175.06398	3.5
186.89905	4.1
204.10254	4.5
205.03667	2.4
212.02118	1.6
221.09317	2.7
248.12891	4.7
265.07492	6.4
265.12891	31.6
289.03433	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	265.1443
Annotation	Aspterric acid
Peak:m/z	Relative Intensity
50.44727	0.5
57.03448	1.4
59.01378	15.2
71.01374	1.0
71.56277	0.9
77.61031	0.6
83.05051	1.6
85.02963	4.9
92.16932	0.6
95.05002	0.7
96.95970	1.3
97.06567	0.9
107.05080	0.7
109.06588	2.7
111.04486	0.9
114.49188	0.6
124.28147	0.6
125.06104	0.7
173.70850	0.6
176.54999	0.6
177.12840	0.9
177.16469	2.5
185.55728	0.7
203.14413	4.7
219.13847	1.2
221.15451	100.0
222.15836	4.0
223.13269	1.0
247.13396	5.7
265.14444	21.9
265.17715	1.1
265.20950	0.7
266.14783	1.5
273.50012	0.7
287.75848	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49572	0.8
55.63041	0.8
59.01380	100.0
61.22963	0.8
68.11721	0.9
71.01369	2.9
71.55201	1.1
77.90076	0.9
80.96510	0.9
83.05011	1.1
87.00852	0.8
94.06607	1.0
96.95996	1.0
106.73669	0.9
107.05025	1.3
111.04528	1.8
113.02470	0.9
121.02950	1.8
121.06576	1.0
124.05299	3.2
134.03754	22.0
135.04524	11.0
139.07666	1.5
151.07643	3.2
161.06059	1.1
165.00098	0.9
167.66385	0.8
175.97742	1.0
180.10234	1.0
186.28433	0.9
188.04686	1.1
189.09186	1.6
189.12750	1.0
201.12807	1.9
203.10864	1.1
204.11497	1.7
209.11787	2.2
219.10231	1.6
219.13908	2.0
227.12816	1.4
245.15518	1.0
263.09241	12.2
263.12738	3.0
263.16461	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	263.2015
Annotation	KDC 165
Peak:m/z	Relative Intensity
52.83751	0.2
57.89553	0.3
58.73005	0.3
59.01375	3.3
70.62353	0.2
70.79766	0.6
71.01382	0.9
73.53795	0.3
89.02411	0.3
91.10443	0.2
99.11079	0.3
127.07588	0.3
147.73509	0.3
219.21190	0.7
245.19110	0.6
261.18561	0.5
263.20135	100.0
264.20511	6.2
276.11603	0.3
276.15005	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01273	0.5
59.01378	100.0
60.01714	0.8
64.56979	0.3
64.59586	0.3
69.58657	2.3
70.36271	0.5
71.01384	1.1
73.02955	0.9
81.66848	0.4
96.96010	0.8
101.02481	0.7
121.05903	0.4
166.02728	0.4
174.03293	0.8
203.07172	0.6
209.11868	0.4
227.12799	0.8
245.11813	0.5
245.15459	0.4
262.35303	0.4
263.09607	0.8
263.12958	0.9
263.16489	0.8
272.88528	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0073
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
57.03438	1.0
59.01377	7.4
71.23566	1.3
72.99303	11.4
73.02938	0.9
74.41142	0.7
75.00874	2.4
79.95737	8.3
80.96494	1.4
81.03454	2.6
83.05011	3.0
85.02942	2.8
93.03452	17.6
96.95999	2.4
97.06563	1.2
101.02423	1.2
107.05006	1.4
115.07642	1.3
118.94205	1.8
119.05022	35.7
134.03748	0.9
135.04517	24.0
136.93987	0.9
137.06056	1.0
155.97633	0.7
163.03999	27.5
164.04393	0.8
170.88405	1.3
178.95059	2.5
178.97795	0.9
181.05058	70.4
181.86617	0.8
182.05353	1.9
199.00700	11.8
201.11501	0.8
215.00159	6.4
219.12332	1.4
222.84230	0.9
247.46748	0.7
259.30499	0.8
261.00714	100.0
261.13385	5.2
262.01013	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	262.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
57.03428	4.1
58.98898	1.1
59.01353	4.3
61.98822	3.0
69.03442	5.3
70.02969	4.4
71.01361	5.5
71.54048	1.9
72.99311	1.8
74.12669	1.0
75.00885	1.1
85.02948	53.1
86.02434	2.1
87.04511	6.8
87.92525	7.6
94.02975	1.4
96.00925	2.7
96.04545	100.0
97.02963	7.1
97.04866	1.2
98.02451	1.7
99.00859	7.0
101.02433	1.5
103.92004	7.3
104.92818	3.3
111.00869	2.2
111.04446	1.3
112.04031	3.4
112.98752	1.9
113.99121	2.1
114.01926	1.5
115.00343	1.7
115.04003	3.8
120.05373	2.1
122.08626	1.2
123.94607	1.5
128.03531	7.6
129.01930	13.2
129.86577	1.4
130.05078	1.4
139.97227	1.1
140.03482	4.3
141.01912	3.5
142.01430	16.9
158.04558	22.4
159.02934	3.3
159.85951	1.8
164.04288	1.8
182.05412	3.0
189.95415	1.3
199.94099	2.4
202.03424	7.6
217.16898	1.2
219.05045	3.0
220.12686	2.6
223.83894	2.1
261.57355	1.3
261.94196	1.6
262.01007	6.5
262.05756	3.3
263.00330	1.3
263.06915	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	259.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63018	0.6
58.74710	0.7
67.96130	0.6
71.00551	1.4
71.05009	0.7
80.02682	1.5
81.03447	1.0
81.08028	0.6
82.91953	0.6
83.05017	4.5
84.02164	3.2
85.33311	0.6
125.41104	0.6
127.39862	0.6
135.08183	0.7
163.11281	5.0
165.12856	3.5
170.88419	0.6
172.74007	0.6
181.12427	0.8
191.10840	1.3
209.11807	100.0
210.12137	4.5
227.12869	12.6
227.67535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.103
Annotation	Tensyuic acid B
Peak:m/z	Relative Intensity
51.56674	0.8
53.32032	1.0
56.45341	0.8
57.03441	2.8
58.91825	0.9
59.01378	100.0
69.03436	0.9
71.54338	1.4
72.99294	0.9
73.02934	1.3
83.05008	1.3
85.02932	2.1
87.00865	1.1
87.04520	1.2
95.04999	0.9
97.06571	2.8
99.07308	1.0
111.63193	0.8
123.08107	1.2
125.09711	8.7
130.08713	1.9
141.09213	1.0
143.07108	1.8
151.11307	1.3
153.09207	89.1
154.09557	2.5
155.10741	2.8
167.10770	1.0
171.10258	3.8
185.11839	5.8
195.10217	1.8
197.08218	5.2
213.09351	1.1
213.11314	18.6
215.09201	1.3
239.12822	2.5
256.23566	1.2
257.10312	6.1
257.14075	1.6
257.23975	1.0
279.20026	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54218	1.1
55.01879	1.1
55.48624	1.2
57.03445	3.0
59.01378	100.0
69.03493	1.2
69.72573	3.3
69.72984	2.6
71.01370	1.4
71.05008	7.0
83.05016	1.2
97.06573	4.1
99.00883	3.8
100.86564	1.0
123.08236	2.4
125.09721	33.6
133.90080	1.2
135.02731	1.1
153.09189	3.1
163.11293	11.0
179.10654	1.3
181.12346	17.9
195.14003	1.4
207.10199	5.0
225.11322	15.8
239.12823	3.1
257.13925	71.9
258.14359	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	259.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03406	2.1
59.01375	17.8
64.41938	1.5
71.01340	16.8
72.99328	2.0
73.02930	15.8
83.05025	2.2
84.02147	2.8
84.33020	1.8
85.02953	4.3
89.32972	1.7
93.00987	1.6
97.06581	1.7
111.04507	2.6
125.09701	8.9
127.11269	5.0
129.62173	1.8
137.09721	9.7
148.04037	6.4
149.09714	4.0
149.14252	1.7
151.11267	5.1
153.09253	9.0
155.10783	100.0
156.11125	3.8
161.09700	10.6
162.10226	2.1
165.09184	6.3
171.10277	22.4
179.10773	19.8
181.08687	10.6
183.10275	21.6
185.11900	3.7
195.10269	4.4
197.11803	3.5
199.09720	27.0
213.11325	5.7
215.12857	26.4
217.10793	77.0
218.11096	3.6
223.09738	38.4
241.10898	15.0
259.11856	20.3
260.12866	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	256.1917
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
59.01372	0.5
66.96760	0.3
68.28440	0.3
68.99562	0.4
70.08825	1.2
72.04533	0.6
74.02471	100.0
75.00879	0.8
75.02842	0.3
84.04548	0.9
96.28586	0.4
100.91573	0.3
108.35793	0.3
112.98567	0.6
113.06067	0.5
196.92427	0.4
212.20187	4.1
219.84534	5.1
256.19180	50.1
256.23294	8.3
257.19583	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	256.9761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
61.98827	0.3
65.00342	0.3
67.01893	0.2
70.24092	0.2
70.85522	0.3
75.00875	0.4
79.95724	0.4
81.87038	0.2
82.02984	0.5
89.03968	0.8
89.88235	0.2
91.01892	0.5
96.96018	2.3
105.03438	0.3
107.01403	0.3
109.02942	0.7
120.99689	0.4
123.04479	0.2
133.02950	1.5
135.00873	0.5
137.09727	0.7
148.71239	0.2
149.02431	0.3
151.11276	0.5
165.52530	0.2
177.01926	100.0
178.02286	3.3
187.85681	0.2
190.72340	0.2
191.38588	0.2
213.11235	0.5
227.08231	0.6
242.10527	0.3
256.23660	2.0
256.97610	14.1
257.05069	1.4
257.10355	0.7
257.13104	1.1
257.21259	0.2
257.23792	0.4
257.97888	0.5
274.89664	0.3
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
59.01377	5.0
60.01708	1.4
60.35175	0.4
61.98828	100.0
71.01385	1.8
71.53901	0.6
72.01725	0.7
72.99316	0.5
73.02912	0.5
75.00875	0.4
77.46076	0.3
85.02909	0.4
89.02451	1.3
90.02762	0.7
101.02441	1.2
102.02802	0.7
114.02792	0.6
162.04919	0.4
202.00220	0.4
254.04640	0.4
254.09598	2.9
255.23412	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2016
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01385	4.1
60.56721	0.4
69.98219	0.5
70.03717	1.0
70.04111	1.3
71.01402	0.5
98.19991	0.5
144.59218	0.5
233.19084	1.1
242.14677	0.4
251.20151	100.0
252.20473	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	253.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.7
59.01378	21.3
70.44072	1.2
70.85790	2.1
70.86125	1.4
75.57385	1.0
81.03451	3.1
83.05046	5.5
87.26469	1.1
93.03448	1.9
95.05019	4.8
97.06589	13.9
101.02441	1.4
106.04233	8.0
107.05041	6.9
109.06585	1.8
111.08200	1.7
119.05046	1.6
121.10236	3.5
148.14507	1.2
149.09705	1.4
159.11778	11.2
161.09572	1.1
165.36313	1.1
175.11263	5.0
177.12839	100.0
177.38757	1.1
178.13161	3.2
185.09724	1.5
193.07149	1.4
203.10768	52.5
204.11086	1.7
221.11815	44.6
222.12106	1.8
239.12872	2.6
244.35208	1.1
253.14456	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2171
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
59.01381	2.4
59.64279	0.2
62.15636	0.3
69.40639	0.3
69.84550	1.4
74.45142	0.2
94.95380	0.3
131.67371	0.3
134.45515	0.3
229.80174	0.3
253.21709	100.0
254.22063	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	253.2174
Annotation	Delta2-cis-Hexadecenoic Acid
Peak:m/z	Relative Intensity
59.01379	41.0
69.83600	11.8
69.83997	29.6
81.83881	7.6
98.19968	7.6
111.85474	6.1
113.23847	5.3
128.20448	5.7
135.32913	5.8
139.90323	6.4
253.21738	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	249.186
Annotation	roughanic acid
Peak:m/z	Relative Intensity
52.06845	0.5
59.01378	1.9
68.99580	1.3
70.55672	0.6
70.56027	1.4
71.06452	0.5
90.02894	0.5
112.98583	2.5
154.97337	2.0
185.73895	0.5
204.04213	0.5
205.15965	0.7
205.19576	1.0
231.17532	0.9
248.97258	1.2
249.18585	100.0
250.14500	5.2
250.18910	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	250.1446
Annotation	Furmecyclox
Peak:m/z	Relative Intensity
59.01368	0.5
70.69482	0.3
70.69819	0.1
71.89032	0.1
80.44698	0.1
85.20861	0.1
94.45871	0.1
106.20242	0.1
130.19440	0.1
178.59229	0.1
205.12370	0.4
220.09827	0.2
220.14667	0.5
234.11394	1.2
250.14462	100.0
251.14793	4.4
267.11081	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	250.9643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32484	0.7
54.14207	0.7
59.01375	2.8
59.44719	0.8
61.98829	100.0
71.01381	2.2
71.52947	1.3
89.02446	5.2
91.06266	0.8
91.10163	0.8
91.81940	0.7
110.30352	0.8
130.88905	1.2
132.88628	0.9
134.98846	1.3
141.56557	0.7
146.95305	1.0
148.96918	4.5
163.04315	1.0
164.96390	99.0
165.96465	3.5
178.97960	12.7
251.07771	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	251.1651
Annotation	Bisacurone
Peak:m/z	Relative Intensity
55.15385	0.4
57.03428	0.9
59.01376	5.2
69.03453	0.9
70.59431	1.0
70.59780	0.9
71.01376	1.2
71.93867	0.6
81.03471	0.5
84.65009	0.5
87.97384	0.5
101.02462	1.0
149.46767	0.5
189.16367	0.6
195.13908	6.2
207.13933	2.9
207.17532	6.5
207.34930	0.5
223.17021	22.5
224.17334	1.2
233.15457	17.5
234.15746	0.7
251.16515	100.0
252.16846	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	249.1495
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
54.03837	0.4
59.01379	3.8
63.79007	0.4
68.99590	0.6
71.14780	1.1
77.66080	0.5
81.07071	0.4
81.30727	0.4
83.05019	1.7
95.01402	0.7
97.06613	2.3
102.44234	0.5
108.02137	0.7
108.87437	0.5
112.98564	2.1
114.38641	0.5
121.02985	0.6
121.10239	0.5
123.00880	0.8
136.01672	1.4
137.09723	1.5
151.00333	0.5
152.01158	0.7
154.97368	1.2
166.53378	0.5
171.11803	0.8
187.14923	11.3
189.03908	0.5
204.04260	3.5
205.08652	1.5
205.15944	0.9
219.06563	2.3
234.05412	0.6
248.97363	1.6
249.08006	2.7
249.14957	100.0
250.15161	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	249.1494
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
58.00312	1.1
59.01377	7.7
61.25554	1.0
67.85520	1.1
68.69070	1.2
69.03456	31.9
69.98360	5.3
83.05033	2.3
95.05034	3.1
97.06581	1.4
97.27754	1.1
98.20621	2.1
99.95555	1.0
106.04271	1.5
107.08620	1.6
111.08162	1.5
124.77113	1.2
133.10336	1.3
134.07321	1.4
149.09715	1.0
149.13376	3.8
161.13303	2.0
167.10809	3.7
167.13806	1.2
171.10274	1.7
179.10635	1.1
187.14919	4.5
193.12375	7.6
195.57773	1.2
203.14319	1.9
205.12332	9.2
205.15968	7.7
221.15459	16.9
231.13899	35.0
231.16144	2.4
249.14957	100.0
250.15356	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	247.1703
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
50.68021	0.1
53.43050	0.2
59.01369	0.6
71.01372	1.0
71.07706	0.2
71.56052	0.2
88.93248	0.2
91.42209	0.2
103.04003	0.9
114.39083	0.2
119.36412	0.2
121.03026	0.3
132.98224	0.2
174.99268	0.5
176.99402	0.2
184.00146	1.0
186.95659	1.0
205.15974	0.3
217.20067	0.2
220.17043	1.4
231.13947	0.5
247.17026	100.0
248.08015	1.6
248.17348	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	249.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93459	0.9
55.21573	1.0
59.01370	4.1
59.35863	1.1
68.99574	2.3
71.01364	1.7
71.56109	1.4
112.98570	2.8
127.07639	4.7
147.04475	1.1
147.71019	1.0
151.11298	1.2
154.97391	3.0
163.03664	1.2
166.21655	1.3
167.06883	2.9
179.10797	1.4
181.12341	22.4
189.08932	1.7
195.47711	1.0
197.11790	1.3
199.07423	1.6
201.08971	4.4
203.10529	12.6
204.04265	4.1
205.01355	1.3
205.08653	1.9
205.12230	3.4
213.07306	1.2
217.08414	4.2
219.06694	2.2
219.10083	7.1
221.11592	4.5
223.13144	66.9
224.13478	2.7
233.07970	6.3
235.09502	16.6
237.11082	38.7
238.11397	1.9
245.05241	1.1
248.97307	2.8
249.11073	100.0
249.15097	4.2
250.11418	2.9
250.14522	3.6
265.10617	6.6
267.12131	58.3
268.12485	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39754	2.6
59.01379	98.9
69.43164	22.8
71.01385	18.5
71.05041	2.8
73.02931	6.2
85.02938	7.7
89.02478	4.2
96.96011	13.2
99.04519	15.4
101.02444	9.0
103.00381	17.5
103.03967	3.4
113.02469	10.3
115.04020	10.8
115.07730	3.5
117.05580	6.3
161.04549	5.2
161.08188	100.0
196.58392	3.2
203.07059	2.9
208.63260	3.0
247.06480	22.6
247.15561	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	245.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
58.39765	0.5
59.01376	40.1
66.30195	0.6
69.70045	2.8
71.01377	1.0
91.16709	0.6
92.11057	0.6
113.09661	1.0
125.09705	0.7
127.11301	1.0
134.27644	0.5
139.11282	1.0
142.06575	1.0
155.10764	3.1
157.12334	16.7
163.04161	0.6
171.10252	0.7
184.55432	0.6
185.11813	15.3
201.11282	0.7
203.12859	100.0
204.13173	2.8
204.49654	0.7
245.04318	0.8
245.13907	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	247.0644
Annotation	EX-527
Peak:m/z	Relative Intensity
59.01377	1.2
60.39128	0.2
64.07893	0.3
71.01374	0.8
79.95733	22.2
80.96511	13.0
95.95228	16.3
96.96007	14.4
99.04527	0.3
103.04043	0.3
109.06609	0.4
111.04496	0.5
111.08126	0.5
115.05860	0.4
119.05018	0.3
121.02977	0.4
123.08174	0.3
132.98225	0.4
137.09692	0.6
147.04515	0.9
149.09767	0.9
151.07594	0.3
152.08423	3.7
159.02740	0.7
165.05568	2.4
167.10757	3.4
173.08177	0.5
174.03145	0.3
174.99191	0.4
186.95551	1.4
227.02377	0.5
232.03922	0.5
247.06430	100.0
248.06770	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	247.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	2.9
59.01107	5.6
59.01381	86.7
69.27182	12.4
69.27611	17.0
71.01385	16.7
80.74383	3.5
85.02931	5.9
89.02443	5.5
96.95979	8.9
99.04519	14.8
99.08160	4.5
101.02415	5.5
103.00379	15.3
112.75903	3.3
115.04004	12.5
117.05566	8.3
161.08186	100.0
186.95587	5.7
203.09196	4.6
247.06375	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	245.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60261	1.0
57.03421	1.7
58.00587	7.6
59.01064	1.7
59.01373	24.5
61.98797	1.1
66.20302	1.0
66.21586	0.9
68.99810	1.8
69.03441	1.5
71.01383	12.5
71.04990	1.2
71.46027	1.6
72.02159	3.2
72.99297	3.2
73.02934	3.0
74.02457	3.3
75.00845	1.6
78.95894	19.6
81.07066	1.4
83.01369	1.4
83.05015	2.0
84.02158	1.6
85.02937	3.5
86.00014	1.2
87.00866	21.0
89.02428	8.7
95.05003	4.7
96.96941	1.8
97.06580	16.5
99.04518	2.0
99.08160	11.3
101.02441	4.2
101.06052	1.3
105.01896	2.7
107.05012	1.7
108.02163	3.0
108.67791	1.2
109.06555	3.4
111.08144	2.4
112.01667	2.7
113.03526	1.3
116.07150	2.3
125.06075	4.8
127.07643	100.0
128.07985	1.6
129.01920	5.8
129.09186	4.2
129.10219	1.9
130.08731	10.3
137.06064	12.0
139.07658	10.5
144.00639	1.4
147.02942	3.3
152.99580	16.7
155.07123	42.7
156.07454	1.2
157.08662	4.2
162.91174	1.7
163.07578	3.8
166.08592	1.1
167.07109	4.8
171.00623	6.9
174.99182	1.5
181.08553	1.3
185.08141	4.6
197.08173	1.2
202.08635	2.6
215.10274	1.2
217.10709	1.5
227.10339	3.8
245.04337	22.5
245.10164	12.6
246.11264	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	245.1392
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
52.64862	0.8
59.01380	100.0
60.01717	1.2
71.55131	0.9
76.00049	0.9
78.95920	1.7
87.61290	0.8
97.06586	1.2
97.32119	0.8
118.90112	0.8
135.00864	1.0
151.11275	5.1
152.99617	1.3
167.10745	1.4
169.12347	8.2
171.10233	2.4
185.11844	0.8
199.13374	10.1
199.28746	0.8
201.05582	1.3
201.11333	1.0
209.11734	1.7
217.08528	0.8
227.12872	4.6
245.04303	1.9
245.08298	1.4
245.13898	39.9
246.14165	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	245.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.7
58.00597	1.1
59.01373	2.3
61.96771	0.6
69.51685	4.3
74.02485	1.5
80.02684	1.0
81.03444	0.9
83.05031	5.5
84.02169	2.0
98.19894	1.3
100.06589	0.7
102.19852	0.6
111.62171	0.6
125.09686	4.9
127.11290	7.0
135.08157	0.9
137.09714	1.2
139.11284	1.4
155.10774	3.1
157.12393	1.4
163.07625	2.2
163.11276	4.8
165.09192	2.9
165.12813	2.7
171.10280	1.7
191.10831	1.4
199.09734	1.9
201.11311	95.6
202.11671	4.0
203.08296	0.8
203.12888	6.1
209.11815	100.0
210.12148	3.8
227.12885	18.8
245.04329	0.8
245.09346	1.8
245.13948	3.2
246.11356	1.9
252.36533	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
61.66082	0.5
70.23925	1.2
70.24291	1.1
71.01385	1.1
78.95901	100.0
88.84966	0.6
93.61112	0.5
96.96957	8.1
98.28424	0.6
101.02426	1.0
111.00824	0.7
112.98815	2.3
116.07132	0.8
119.03500	1.4
128.03476	0.7
129.01965	0.8
139.04005	1.2
140.07117	0.6
150.98012	0.9
152.99576	78.0
154.00034	0.7
158.08246	0.9
171.00633	35.7
172.97726	0.7
173.00853	1.0
177.68771	0.5
184.80644	0.5
191.01801	0.6
209.06648	0.8
218.78784	0.5
245.04294	99.9
246.04709	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	245.0431
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
51.80109	1.2
58.00548	1.4
58.39441	1.3
58.62727	1.1
59.01377	20.8
59.87176	1.2
61.98807	3.2
69.76460	6.8
71.01385	8.8
73.68854	1.1
78.95904	98.8
83.01387	2.0
85.02948	1.8
85.76077	1.2
89.02438	13.0
96.96954	7.2
99.00875	1.8
101.02444	26.6
112.98800	2.3
113.02450	2.1
119.03508	30.6
138.90852	1.4
139.04022	2.9
149.04568	1.7
152.99588	74.8
171.00633	28.4
209.06679	14.1
245.04311	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	245.093
Annotation	N-Acetyl-D-tryptophan
Peak:m/z	Relative Intensity
58.02973	25.5
59.01363	2.9
69.17863	7.6
69.76250	0.9
70.02976	15.5
71.01384	1.4
72.00906	5.5
72.04547	2.9
74.02470	100.0
78.95896	7.2
86.61594	1.0
96.96066	0.9
98.02477	23.7
98.20614	1.6
116.03540	33.5
116.05054	37.7
127.11246	1.1
130.06633	5.7
142.06602	7.7
152.99562	4.6
156.08167	1.0
159.09262	7.3
171.00598	2.5
171.10187	1.1
183.09254	2.1
186.05634	1.9
201.10107	3.9
201.11346	7.8
203.08246	91.4
204.08598	2.2
209.11813	9.0
227.12747	2.4
245.04382	6.2
245.09280	99.0
245.13669	3.0
246.09546	3.3
246.11458	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	243.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30826	0.4
54.54201	0.4
55.98819	0.4
59.01373	1.0
59.76778	0.4
61.98840	2.5
65.65381	0.4
69.03454	0.5
71.55029	0.5
80.74574	0.4
83.05032	0.8
110.02462	0.9
113.13894	0.5
125.09747	0.5
152.22449	0.5
167.10745	0.6
167.14409	0.7
181.12331	0.9
183.13911	6.6
190.56413	0.4
193.12302	2.0
199.13454	0.6
207.10280	0.8
211.13388	100.0
212.13733	3.5
225.11295	2.1
243.06520	0.6
243.10243	0.7
243.12231	2.6
243.16025	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.043
Annotation	Unknow
Peak:m/z	Relative Intensity
64.26038	0.4
69.01602	0.5
71.22359	0.9
78.95901	100.0
96.55547	0.5
96.96957	8.4
99.39201	0.4
112.83921	0.5
126.05547	0.5
150.97983	0.6
152.99579	79.3
153.99921	0.8
171.00632	36.9
205.50475	0.5
228.00804	0.5
245.04289	94.5
246.04639	2.1
252.75284	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03445	13.4
59.01385	1.6
61.98836	2.0
69.03458	1.5
69.55257	2.4
69.55687	2.4
71.01385	1.9
71.05028	0.8
73.02935	1.8
76.21794	0.6
83.05042	1.4
95.05036	1.9
97.06581	13.3
111.08160	1.5
123.08174	8.1
125.09722	100.0
126.10049	2.0
137.09692	1.7
139.11273	9.5
148.98596	0.7
149.09721	0.8
155.10785	3.0
158.88327	0.7
165.09190	1.0
167.10774	35.7
168.11151	0.7
169.08609	1.3
183.10262	7.4
199.13309	1.3
211.09816	5.9
211.13359	6.3
223.43610	0.7
225.11374	1.8
243.12358	51.2
244.12732	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	243.1235
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
50.43143	2.0
55.02974	1.8
58.00581	3.0
59.01381	9.3
61.98825	4.4
69.02168	1.9
69.95695	8.8
71.01407	2.5
73.02950	8.1
81.03450	6.8
83.05030	4.8
84.02178	4.6
92.91525	1.7
97.02954	5.8
98.19931	2.1
99.00854	2.2
101.13309	2.2
109.06585	48.9
121.06578	3.3
125.06085	3.3
125.09742	4.8
127.11286	3.9
135.08183	6.6
137.09703	9.6
142.02731	2.5
143.10803	2.0
151.07701	2.9
155.10776	4.8
161.09665	3.4
163.11284	22.3
171.10275	23.2
179.10822	2.4
181.08733	2.0
181.12312	6.9
185.11826	2.4
189.09109	2.0
197.11694	3.4
199.09747	100.0
200.10201	3.6
207.10245	80.9
208.10515	3.3
215.12875	17.9
225.11317	85.2
226.11583	2.5
238.71840	1.8
243.06013	1.8
243.12389	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	243.1237
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
58.00605	3.3
59.01382	26.1
61.98835	22.2
69.03461	4.9
71.01401	13.8
71.05006	4.0
73.02941	13.1
80.02671	6.6
81.03467	18.8
83.05017	10.0
84.02171	7.4
93.03454	4.9
95.05030	5.9
97.02956	24.8
97.06608	2.9
99.00876	4.4
107.05008	2.9
109.06593	80.4
110.02504	3.7
110.03738	6.0
111.00909	3.1
111.04472	3.4
121.06595	10.5
125.09730	9.2
127.11274	4.2
135.08182	18.9
136.05296	5.7
137.09731	3.8
139.11276	3.6
142.02710	15.8
155.10754	11.3
156.76581	3.0
161.09737	8.1
163.11292	41.1
167.10796	5.0
171.10257	12.0
179.10764	4.0
181.12413	19.6
183.10197	4.9
185.11784	12.4
189.09242	4.3
197.11810	5.6
199.09744	32.5
199.13347	4.2
207.10266	100.0
208.10486	3.5
215.12874	27.3
225.11310	50.0
243.06570	2.8
243.12332	26.7
243.15938	5.5
243.19695	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	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
59.01376	15.6
59.06612	0.6
67.76834	0.5
69.34389	2.0
69.34798	3.1
71.01353	0.9
71.05033	0.9
73.02924	1.1
74.65157	0.6
95.29503	0.6
97.02937	1.8
99.00872	6.1
110.03745	0.8
118.67494	0.5
125.09702	2.7
127.11311	1.6
129.19023	0.6
135.08154	0.8
139.11284	11.3
142.02640	0.7
153.12825	0.8
155.14328	0.7
163.11272	4.2
169.24327	0.7
171.10316	0.9
181.12328	16.1
183.10249	14.4
184.10539	0.6
197.11819	1.6
199.13382	32.2
200.13799	1.2
207.10231	16.4
208.10553	0.8
225.11302	43.8
226.11595	1.5
243.12350	100.0
244.12735	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	243.1236
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
51.55657	0.9
57.03453	1.8
59.01383	5.9
61.98828	2.3
69.03434	1.5
70.70235	2.3
71.01408	1.7
71.05015	3.0
73.02938	3.3
76.10251	0.9
83.05013	3.8
84.02177	1.3
97.02938	5.5
97.06594	2.8
99.00883	10.4
109.06582	11.2
123.08163	2.2
125.09723	12.9
127.11307	3.6
133.37181	1.0
135.08115	1.2
136.05324	1.5
142.02670	1.6
162.62683	1.0
163.11281	8.1
171.10196	1.3
179.10805	1.1
181.12312	15.7
185.11806	13.2
197.11836	3.1
199.13396	33.8
200.13704	1.9
201.11282	2.5
207.10246	45.6
208.10567	1.6
215.12854	1.3
225.11304	72.0
226.11665	2.3
243.12350	100.0
243.16180	2.8
244.12703	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	243.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06428	0.5
55.51642	0.4
57.03459	0.8
58.37216	0.5
59.01372	0.7
65.80854	0.5
69.42361	3.8
69.75951	0.4
71.01376	4.2
71.05012	3.4
73.02940	0.9
83.05048	0.9
97.02957	5.3
97.06577	1.8
99.00872	20.4
109.06576	1.6
110.03693	2.3
115.00352	0.7
123.08147	0.8
125.09721	5.9
127.11282	1.0
135.04495	2.1
135.08160	1.3
136.05296	1.1
142.02711	1.6
153.12862	1.3
155.14383	1.7
156.90407	0.5
160.38814	0.5
161.09669	0.6
163.11284	9.2
171.10248	1.5
179.03523	1.0
179.10783	1.0
181.12335	23.5
182.12700	1.0
183.10226	0.5
197.11804	1.4
199.09764	1.0
199.13376	19.5
201.11424	0.7
207.10243	45.6
208.10678	2.3
215.12894	0.5
225.11301	85.5
226.11679	2.8
243.12347	100.0
244.12656	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	243.1236
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
57.03434	2.6
59.01379	56.0
70.73429	1.9
71.01373	4.1
72.57825	0.5
73.02942	6.5
83.05013	1.4
85.02921	1.2
95.05032	1.4
97.06638	0.8
109.06596	0.9
113.82763	0.6
127.11263	0.8
129.05566	0.6
137.09724	0.9
139.11295	32.9
140.11613	1.0
148.96242	0.6
155.10747	1.7
157.12323	0.7
161.09773	0.6
163.11298	3.7
165.09190	2.3
167.10832	0.7
171.10242	4.8
181.12340	23.3
183.10251	53.0
184.10602	1.6
185.11778	0.7
189.09142	0.6
197.11876	1.4
199.09668	0.7
199.13387	20.1
201.11250	0.7
207.10263	2.4
215.12875	3.0
225.11304	17.0
226.11583	0.9
243.12352	100.0
244.12701	3.6
257.39438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
59.01380	1.0
68.03992	0.4
69.18020	3.0
69.18425	1.0
71.05029	2.2
72.99339	0.5
83.05019	0.8
97.02961	3.1
97.06590	0.9
99.00879	12.2
109.06598	0.9
110.03733	0.9
125.09706	3.6
133.92065	0.4
136.05341	0.4
142.02733	1.1
155.14400	1.3
163.11275	4.9
171.10289	1.5
181.12344	15.0
182.12610	0.5
189.09229	0.5
197.11813	1.3
199.13388	11.5
200.13657	0.7
207.10255	27.0
208.10609	1.3
215.12914	0.6
225.11308	52.0
226.11598	2.0
243.12354	100.0
244.12744	4.0
244.45793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.7
61.98830	100.0
71.29435	1.2
72.01692	0.7
73.38962	0.6
73.59389	0.5
73.72386	0.7
78.95904	4.0
87.00877	2.1
96.96046	0.9
99.00890	1.1
110.02490	1.9
111.00793	0.6
112.98816	1.5
115.00401	0.7
135.72342	0.6
142.99858	1.2
146.26015	0.5
152.99545	0.7
168.03185	0.9
168.04430	1.2
173.00948	1.1
174.01289	0.7
226.56926	0.7
242.00945	0.8
242.08015	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	243.0621
Annotation	Uridine
Peak:m/z	Relative Intensity
54.41660	0.6
57.18906	0.6
59.01379	1.7
66.03487	11.9
66.53545	0.6
67.73983	0.5
68.01404	2.0
68.81934	0.6
71.01375	2.1
82.02982	27.9
83.01387	1.7
84.04564	0.9
87.00917	0.7
89.02469	0.9
94.02988	2.6
95.01380	0.7
96.04557	1.7
99.00875	0.9
101.02448	0.7
108.04567	2.4
110.02476	100.0
111.02003	7.6
111.02834	1.8
112.98801	1.7
117.01951	2.0
122.02471	7.8
124.04015	2.8
128.03476	0.6
129.01935	1.1
132.03059	1.1
140.03523	11.1
142.99835	1.3
152.03531	18.2
153.03038	8.4
173.00873	1.8
182.04556	1.3
183.01604	0.6
186.99236	1.5
189.00655	0.7
190.92740	0.6
200.05640	43.6
201.05977	1.0
205.03488	0.7
218.84567	0.7
243.06189	36.2
244.06488	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2173
Annotation	Pentadecylic acid
Peak:m/z	Relative Intensity
59.01373	1.0
60.91836	0.3
61.98835	2.3
66.03478	0.4
67.86586	0.3
68.99841	0.5
69.95806	1.5
71.01377	0.4
89.02428	0.5
91.71195	0.3
101.02439	0.9
139.02867	0.3
150.64662	0.3
156.97719	0.3
165.12805	0.5
165.36163	0.3
173.64342	0.3
181.07228	2.0
197.15410	0.3
241.21722	100.0
242.22063	4.5
262.14426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.108
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
54.36572	0.6
55.01875	0.5
55.49707	0.5
56.36927	0.5
57.03454	1.1
59.01369	0.8
69.03459	2.3
69.54908	2.8
71.01376	0.5
71.05025	3.8
83.05027	0.9
94.09790	0.5
97.06597	0.6
123.08157	0.7
125.09720	1.9
134.56223	0.5
145.89558	0.4
151.11276	1.1
153.12856	3.1
161.09753	0.9
168.87741	0.5
177.09062	0.5
179.10764	7.0
181.07065	0.5
197.11813	100.0
198.12091	2.7
223.09755	2.5
241.05704	2.4
241.10796	92.3
242.11119	3.5
255.20493	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39909	0.4
51.44561	0.4
57.03437	1.6
59.01366	0.4
69.03465	0.6
71.05026	0.5
71.24769	0.8
81.03448	0.7
83.05031	3.8
92.27411	0.4
93.03474	0.4
95.05024	1.8
97.06590	10.9
97.99247	0.3
109.06593	0.6
111.08155	9.6
147.11800	1.5
147.50491	0.4
149.09695	0.6
163.11275	3.5
165.12842	100.0
166.13155	2.8
170.45882	0.3
197.15462	25.5
198.15813	1.4
203.44365	0.3
209.11809	3.2
231.77251	0.4
235.16708	0.4
241.14610	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96704	0.7
52.89143	0.6
57.03437	1.3
59.01380	3.7
61.98838	1.0
68.99809	1.2
69.03448	2.3
69.86623	3.1
71.01380	3.4
71.05022	4.9
73.02943	0.9
85.38625	0.7
87.00886	0.9
93.03492	0.8
95.05029	1.9
96.95992	1.2
97.06622	1.2
101.02459	4.8
109.29351	0.6
110.87529	0.7
125.06048	1.1
125.09694	1.7
127.04025	1.5
137.06099	0.9
139.00395	0.9
139.28082	0.7
149.67017	0.7
151.11272	1.1
153.12827	2.8
161.09790	0.8
163.03693	0.6
169.12231	0.9
179.10762	6.0
181.07207	5.7
181.75702	0.8
197.11819	100.0
198.12163	3.2
209.00398	0.7
223.09726	9.2
230.96382	0.8
241.00186	2.4
241.10799	65.8
241.14661	1.9
241.21646	0.9
242.11192	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	241.108
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
50.21298	2.3
57.03439	9.1
58.00589	12.4
59.01381	28.5
61.98820	3.1
68.99803	9.4
69.03448	7.9
69.31013	11.1
69.31445	12.5
70.31103	2.6
71.01004	4.3
71.01378	60.5
71.04995	2.9
72.99275	6.1
73.02944	100.0
73.31554	2.6
75.00883	4.5
78.03223	2.7
79.95724	2.9
80.02704	2.9
81.03455	3.1
83.01384	10.1
83.05025	8.6
84.02149	8.1
85.02986	12.5
86.04079	2.7
87.00874	12.5
87.04566	2.7
89.02480	2.8
95.05009	6.3
96.96012	28.0
97.02938	5.0
97.06586	13.0
99.91571	2.6
101.02421	9.3
107.04988	5.2
111.04516	14.3
111.08112	3.6
115.00382	5.0
123.08155	10.3
125.06075	5.3
125.09717	48.0
127.04042	3.8
127.11260	11.6
135.08147	10.2
137.09709	19.9
139.07596	8.2
139.11237	6.7
149.09720	16.4
151.07648	5.3
151.11250	20.1
153.08026	4.7
153.09210	42.5
155.10776	68.4
156.11017	3.4
161.09706	39.6
163.07628	5.6
163.40688	2.6
165.09201	36.7
167.10745	10.2
169.12346	10.5
171.10278	6.7
177.09244	8.0
179.07245	6.3
179.09338	4.5
179.10756	47.5
181.07188	7.0
181.08670	42.2
183.10257	55.4
185.11800	10.3
195.10249	11.2
196.15338	2.6
197.11838	5.2
199.09735	4.7
205.08592	11.6
211.09673	4.2
213.11278	14.7
223.09744	99.4
223.13237	4.6
224.10101	4.4
241.00203	53.8
241.10779	50.6
241.14458	8.9
242.11252	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	239.1288
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
59.01382	5.4
69.53462	0.4
69.88733	1.3
69.89143	0.7
71.01385	0.4
72.06620	0.3
72.80204	0.4
87.00887	0.9
93.80751	0.4
98.19885	0.5
106.04236	0.7
161.04492	0.6
177.12836	3.0
179.05577	4.1
195.13892	100.0
196.14218	4.1
203.10883	0.7
221.11890	0.5
231.71687	0.4
239.12860	14.1
240.13202	0.5
255.39682	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	11.9
57.74664	3.0
59.01368	17.2
61.98832	98.0
67.14723	3.3
69.40337	11.3
69.40763	13.2
71.01382	39.3
72.99302	9.9
73.02937	5.3
75.00866	10.2
78.72243	3.2
78.95896	8.1
79.49005	3.5
83.01382	10.7
85.02932	12.9
86.41748	3.1
87.00861	15.1
96.96004	8.1
99.00888	47.1
100.35866	3.0
101.02415	6.2
111.00878	29.3
112.98811	100.0
115.00372	17.8
117.01909	3.7
125.00711	3.3
126.90327	4.2
128.90099	3.1
129.01936	36.7
130.88869	4.1
142.99866	63.0
145.01418	17.1
147.02925	4.2
166.93297	3.3
173.00908	81.6
175.14049	3.3
185.00078	3.6
185.98122	7.0
187.97795	6.2
191.01923	5.2
199.65413	3.4
203.99167	5.2
205.03561	51.4
208.98547	17.1
218.31151	3.4
238.92110	4.0
241.00986	15.0
242.08054	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	241.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	11.9
57.74664	3.0
59.01368	17.2
61.98832	98.0
67.14723	3.3
69.40337	11.3
69.40763	13.2
71.01382	39.3
72.99302	9.9
73.02937	5.3
75.00866	10.2
78.72243	3.2
78.95896	8.1
79.49005	3.5
83.01382	10.7
85.02932	12.9
86.41748	3.1
87.00861	15.1
96.96004	8.1
99.00888	47.1
100.35866	3.0
101.02415	6.2
111.00878	29.3
112.98811	100.0
115.00372	17.8
117.01909	3.7
125.00711	3.3
126.90327	4.2
128.90099	3.1
129.01936	36.7
130.88869	4.1
142.99866	63.0
145.01418	17.1
147.02925	4.2
166.93297	3.3
173.00908	81.6
175.14049	3.3
185.00078	3.6
185.98122	7.0
187.97795	6.2
191.01923	5.2
199.65413	3.4
203.99167	5.2
205.03561	51.4
208.98547	17.1
218.31151	3.4
238.92110	4.0
241.00986	15.0
242.08054	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	237.1494
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
52.09440	0.5
54.57598	0.5
55.23557	0.5
57.03447	21.4
59.01371	3.6
69.03458	0.6
69.75906	0.5
70.44850	1.5
73.02934	0.8
83.05025	2.3
96.96016	4.0
101.02421	0.6
109.06612	1.0
135.11778	0.6
149.09756	0.9
167.10783	2.3
177.12811	1.1
179.10727	2.5
193.15977	5.8
195.13899	4.4
219.13895	1.1
237.14948	100.0
238.15268	3.0
249.11472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0561
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
59.01380	32.3
61.62598	0.7
69.97004	1.6
69.97395	1.7
71.01375	1.7
85.02939	1.6
87.00348	0.9
87.00872	12.3
90.11389	0.7
93.03451	2.6
99.00854	1.2
101.02432	1.4
106.04240	5.2
107.05035	25.6
108.02151	2.5
108.05389	1.2
117.01932	1.7
119.04984	0.8
121.02969	5.7
127.04098	0.8
131.05084	0.9
133.06599	11.9
135.04483	3.9
149.06078	35.6
151.03949	1.2
161.04562	5.9
170.50963	0.7
177.05560	39.2
178.05849	1.3
179.03481	68.8
179.05583	31.9
180.03841	1.7
195.06630	6.9
218.60909	0.7
221.04536	3.4
239.05595	100.0
240.05983	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	239.0924
Annotation	CMPF
Peak:m/z	Relative Intensity
59.01377	100.0
60.01702	0.7
65.57059	0.6
69.31125	3.6
81.03461	2.1
83.05016	0.9
85.02927	1.6
87.00846	1.3
90.83199	0.7
95.05033	2.7
97.06610	2.9
98.20709	1.3
109.06586	3.2
133.10257	0.8
135.08148	2.8
141.05579	10.4
151.11275	3.0
155.73468	0.7
161.04588	1.2
172.50528	0.6
177.09207	3.1
179.05638	6.5
179.07066	1.1
191.79704	0.7
195.10257	40.9
196.10637	1.2
202.58539	0.6
221.08205	1.7
239.09233	36.2
240.09596	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	237.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43844	1.6
55.01866	8.2
57.03429	6.5
58.00586	3.2
59.01377	73.3
66.37417	1.7
70.74091	3.9
71.01380	89.6
72.99297	5.0
73.02946	38.9
75.00866	7.5
83.01377	21.4
84.02161	1.7
85.02948	60.2
87.00883	11.6
87.28456	1.7
89.02448	14.3
95.01389	6.4
96.15807	1.8
97.02916	3.5
99.00851	15.2
101.02441	100.0
111.00880	4.8
111.74149	1.8
112.98792	2.8
113.02449	35.5
119.03488	2.6
129.01961	2.7
143.03474	4.7
149.06317	2.7
159.02940	9.3
161.04543	49.7
176.94501	4.7
176.96323	2.9
205.19211	1.8
237.06076	3.0
237.09756	30.7
257.78687	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1495
Annotation	Canusesnol H
Peak:m/z	Relative Intensity
57.03444	16.0
59.01369	3.0
61.98811	0.3
73.02944	0.7
78.51019	0.4
83.05003	2.4
83.21429	0.4
95.01325	0.3
98.19956	1.1
101.02439	0.6
109.06571	1.2
131.62566	0.4
135.11806	0.6
162.98792	0.4
166.12643	0.4
167.10753	2.8
177.12807	0.4
179.10776	3.1
193.15993	2.2
195.13887	4.1
209.15483	0.6
219.13863	0.9
237.14943	100.0
238.15291	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	235.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05759	0.1
59.01377	4.8
61.98846	0.1
63.21447	0.1
69.74364	0.8
71.01377	0.5
73.02957	0.2
79.95725	0.2
83.05020	0.6
97.06567	0.2
98.20554	0.3
108.02197	0.2
109.06684	0.2
118.17988	0.1
129.73558	0.2
148.05278	0.3
151.07567	0.1
160.06372	0.1
163.14920	0.5
191.07147	0.3
191.10809	0.2
191.18034	2.3
217.15953	1.5
217.24498	0.2
233.15533	0.8
235.17009	100.0
236.17329	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	236.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
59.59740	0.1
61.98829	0.3
69.53282	0.6
69.53707	0.6
98.20631	0.2
112.00507	0.2
117.42335	0.2
134.03711	0.5
135.04530	0.3
136.05258	0.3
148.05307	7.1
149.05869	0.3
149.09648	0.8
154.17261	0.1
162.06850	0.3
175.07701	0.3
176.08435	0.6
177.09201	35.5
178.09563	1.2
180.07889	0.2
190.09964	1.6
191.07152	0.2
191.10753	1.0
192.11548	27.6
193.11835	1.1
201.09200	0.5
203.07143	0.5
217.08694	2.7
218.09460	7.5
218.11592	0.4
219.09848	0.3
236.10519	100.0
237.10875	4.1
237.14717	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64585	0.2
59.01377	18.3
59.92990	0.2
59.96722	0.5
60.97501	0.5
60.99308	0.4
63.08164	0.2
67.01900	0.9
70.92636	0.6
74.99065	7.0
75.00866	0.6
81.57119	0.2
91.02224	0.8
93.00133	1.9
93.03458	3.9
109.94417	0.2
111.04511	0.8
115.44226	0.2
118.96244	1.2
134.99397	6.8
136.97311	1.6
138.18871	0.2
138.38104	0.2
143.05338	1.0
149.00955	63.8
150.00902	1.6
150.98915	0.7
159.08440	2.0
161.06392	3.4
164.86873	0.2
173.03120	0.4
173.04562	5.3
188.98552	0.4
190.98747	0.5
201.04082	0.4
205.33470	0.2
215.05698	1.3
215.09291	0.2
217.07196	90.8
218.07365	4.0
233.10324	100.0
234.10468	5.1
234.15588	0.4
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
57.03448	5.7
59.01381	100.0
60.99303	1.4
61.98832	1.9
67.01887	5.0
68.99821	1.3
71.01382	28.3
72.99311	3.0
73.02954	3.9
78.26708	1.0
83.01375	5.8
83.04948	1.4
85.02952	7.0
87.00872	2.2
87.68644	1.2
87.92529	5.2
88.92580	1.9
93.03468	10.6
96.95995	3.5
99.00879	7.4
101.02421	9.4
103.00344	1.5
103.92017	2.9
104.03504	1.5
104.92809	1.5
111.00883	11.0
111.04501	2.7
115.00332	1.3
123.94615	2.1
126.09705	1.1
128.03535	2.3
129.01938	16.3
129.05571	1.8
139.94070	2.2
145.05042	1.3
147.06635	10.2
153.01984	1.6
160.89261	5.9
161.89404	1.1
165.79790	1.2
172.87970	6.7
173.00813	1.6
173.04576	14.2
188.99852	1.4
189.05534	1.4
195.78534	1.5
215.09206	1.5
232.99001	2.3
233.04666	2.9
233.06561	1.9
233.10313	4.6
233.15450	33.9
251.90399	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.9918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53640	0.1
59.01377	4.8
66.02283	0.2
71.56155	0.3
74.03897	0.2
87.34985	0.2
87.92528	0.3
92.72558	0.1
92.92197	0.2
93.03461	1.0
107.03802	0.2
111.04520	0.2
122.03733	6.6
134.03716	0.6
135.04071	0.6
136.01645	0.6
152.03523	100.0
153.03874	2.4
165.59547	0.2
173.04485	1.1
203.06668	0.2
231.99181	10.3
232.10576	0.4
232.99602	0.4
233.08070	0.5
233.15430	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	16.5
63.63307	0.4
67.01891	0.4
67.23289	0.4
70.84328	0.7
70.84689	0.5
71.01382	5.8
72.00914	0.5
74.02505	0.3
74.71038	0.3
85.06589	22.2
86.06913	0.4
87.92527	1.3
88.04039	100.0
89.04375	0.8
90.67469	0.3
93.03437	2.0
96.78347	0.4
96.96014	0.7
99.55765	0.3
109.06591	0.4
111.04509	0.5
113.06087	3.8
114.35236	0.3
116.03546	0.5
116.20815	0.3
123.94608	0.5
129.01888	0.3
130.08704	1.5
134.04713	0.4
143.07146	0.4
144.59682	0.3
160.09789	22.4
172.88042	0.6
173.04587	2.9
188.07874	0.4
188.98543	0.4
232.11890	21.8
233.10249	0.8
233.15475	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	231.1599
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
52.13327	0.2
52.45777	0.2
57.03456	1.1
59.01367	0.9
71.01371	0.3
71.51727	0.4
74.07632	0.2
76.72820	0.2
77.81898	0.2
85.07270	0.2
87.04504	0.4
97.06604	0.3
117.42077	0.2
122.28640	0.2
123.08130	0.8
124.08491	0.2
125.08719	0.3
125.09675	0.3
127.11283	1.9
134.03745	4.5
139.85757	0.2
145.08717	0.4
148.52385	0.2
152.03525	4.6
155.10762	0.3
155.14388	0.7
157.08659	0.3
161.09747	0.2
167.14328	0.2
171.10255	3.8
174.06821	0.5
175.07402	0.3
183.13797	0.6
185.11861	1.2
185.15373	0.4
187.07555	0.6
187.12367	0.5
195.13818	0.5
201.05582	0.3
202.06429	0.2
203.10727	0.5
206.28291	0.2
213.09273	0.5
213.11327	0.4
213.14920	4.1
213.16769	0.4
229.14407	2.7
231.15985	100.0
231.99104	0.7
232.16316	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90672	0.5
52.22876	0.5
57.03446	0.5
59.01387	1.8
60.31537	0.4
64.49670	0.5
71.01393	1.7
71.04994	0.7
71.08217	1.3
72.99332	0.6
73.04064	15.3
85.02947	0.5
87.92523	1.0
109.06642	0.6
127.07638	3.9
130.08734	89.2
131.09055	1.6
139.07648	2.8
141.10370	0.8
141.97180	0.5
143.11893	25.5
143.21912	0.5
151.07579	0.9
157.08687	10.4
169.08635	3.0
170.88380	2.0
187.10892	100.0
188.11171	1.5
201.07686	1.7
213.07733	2.9
231.06502	0.5
231.08678	8.5
231.13477	28.5
232.13875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1349
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
52.46433	0.5
59.01369	1.3
63.62196	0.5
64.86871	0.6
69.66784	0.9
69.67194	2.2
71.01374	0.7
72.99319	0.7
73.04069	15.3
98.20022	1.3
127.07674	1.5
130.08739	86.1
131.09077	2.0
139.07660	1.2
143.11900	27.3
157.08723	5.1
169.08646	1.9
169.09930	0.8
170.88371	1.0
187.10889	100.0
188.11256	2.1
201.07658	0.6
231.08780	4.1
231.13484	31.2
232.13988	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1236
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
59.01381	31.1
69.03480	0.6
71.54916	0.7
72.99329	1.8
75.00877	6.1
75.51169	0.6
82.88081	0.6
87.00884	0.7
97.06611	1.9
106.04242	0.8
124.65239	0.6
125.06155	0.8
125.09776	0.9
127.11307	1.9
134.03741	50.7
135.04512	1.8
151.11320	3.4
152.03548	2.4
153.09198	0.8
155.10789	0.7
159.04526	1.3
167.10762	1.5
169.12334	27.8
171.10268	100.0
172.05241	1.7
172.10576	1.7
173.06078	1.3
174.06828	1.9
175.07626	0.7
185.11845	4.8
187.03983	1.3
187.07649	12.2
187.11052	1.4
195.10165	0.7
201.05589	1.7
202.06358	4.8
203.10805	2.0
213.09314	1.3
213.11302	12.6
231.10237	10.6
231.12343	73.1
232.12666	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	231.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.3
67.05521	2.8
71.01382	17.7
72.99294	1.4
73.30474	1.0
78.19049	1.0
83.05001	1.6
87.92527	1.5
107.08656	2.0
109.06588	4.9
111.08141	1.2
121.06571	2.7
126.70347	0.9
127.07641	36.8
130.08736	3.2
139.06627	1.7
139.07648	26.5
139.08725	1.6
139.12212	1.0
151.04005	1.5
151.07610	3.3
155.07150	1.1
157.08684	100.0
158.09032	1.6
169.08693	24.9
170.88379	4.0
171.06598	2.3
183.06644	4.6
187.09694	32.6
195.06592	2.9
201.07664	15.2
213.07664	24.4
214.71475	1.0
231.08701	86.6
232.09122	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	231.0872
Annotation	Jioglutin C
Peak:m/z	Relative Intensity
54.29768	1.0
54.40076	0.9
59.01375	5.6
64.70296	1.0
67.05527	1.8
69.55200	1.1
69.55572	7.5
71.01376	14.9
74.85141	0.9
84.28070	0.9
90.30666	1.0
91.42103	1.0
93.07039	1.2
104.35469	0.9
107.05019	1.3
107.08640	1.6
109.06575	3.5
111.08154	1.6
112.25430	1.1
121.06565	4.0
127.07652	37.7
130.08733	1.3
139.07645	27.6
151.03992	1.5
151.07629	3.0
155.07188	1.1
157.08690	100.0
158.09023	3.4
169.08687	27.5
170.88358	1.8
171.06548	1.8
183.06580	2.8
187.09721	34.3
188.10068	1.2
195.06557	4.5
201.07677	15.4
213.07674	23.6
230.99770	1.4
231.08713	78.8
232.08990	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	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
51.74109	0.4
52.51594	0.4
54.57487	0.4
56.53677	0.4
60.73363	0.4
63.11399	0.5
66.83015	0.4
69.50163	3.4
98.19900	0.9
99.70231	0.4
116.47022	0.4
121.71950	0.4
125.09662	0.6
129.05592	0.6
137.36037	0.4
139.11237	0.5
140.36432	0.4
167.14404	34.7
168.14690	0.9
185.15500	1.1
200.04813	0.6
201.05696	0.5
204.76823	0.5
211.13393	48.3
212.13712	2.0
229.08640	1.8
229.14435	100.0
230.14761	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	229.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
57.03453	1.4
59.01373	1.1
70.14798	0.2
71.05021	0.6
71.14555	0.5
83.05016	0.5
84.02155	0.6
85.02943	0.8
97.06574	1.4
114.47216	0.3
123.08186	0.4
125.06084	2.6
125.09717	4.1
127.11290	5.1
143.63228	0.2
155.14424	2.6
156.14784	0.2
165.12859	0.6
167.14438	1.6
171.10335	0.5
183.13882	0.8
185.15450	0.4
201.11299	0.9
209.11774	2.2
211.13435	3.6
229.14433	100.0
230.14781	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	227.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
61.98816	0.4
68.99563	0.4
69.25958	3.7
71.01379	0.4
83.01380	0.6
83.05027	0.5
95.01406	0.9
97.02954	0.4
111.00851	0.5
112.98611	0.6
114.75291	0.4
139.00363	0.4
139.11302	0.7
165.12859	1.8
176.81059	0.4
180.57741	0.4
181.07190	0.5
183.13922	5.5
209.11797	4.8
226.80197	1.0
227.12880	3.6
227.20174	100.0
228.20471	4.7
233.58380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.2016
Annotation	Myristic acid
Peak:m/z	Relative Intensity
56.66442	0.2
60.32291	0.2
69.95592	0.9
70.50905	0.2
76.00690	0.2
77.19823	0.2
87.49676	0.2
139.11311	0.3
183.13873	0.6
209.11745	0.4
227.20155	100.0
228.20471	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	229.108
Annotation	Caiophoraenin
Peak:m/z	Relative Intensity
55.01876	7.8
57.03439	1.7
59.01375	0.6
60.99317	1.2
66.65437	0.5
67.05521	1.4
69.03474	0.8
69.52398	2.4
69.52805	1.0
73.02946	1.6
85.02928	0.5
87.04514	6.2
94.04224	0.6
95.05022	1.8
97.06597	1.6
97.82659	0.4
105.07102	0.8
106.04250	0.8
121.06594	14.4
122.06866	0.5
123.08160	100.0
124.08478	2.0
125.09680	0.7
135.08177	4.2
141.12885	0.5
144.34399	0.4
151.07651	0.4
153.09203	6.5
155.10786	0.6
167.07101	3.4
167.10774	0.7
179.99420	0.4
185.11821	15.4
186.12073	0.5
187.25784	0.4
189.00220	0.5
197.08150	0.8
199.09740	23.5
211.09566	0.5
229.10797	28.0
229.14418	1.5
230.11075	0.9
243.08704	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	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03447	0.8
59.58081	0.2
69.68231	0.2
71.05020	0.2
83.05034	0.7
84.02189	0.2
85.02948	0.5
86.77262	0.2
97.06587	0.5
98.20623	0.6
111.77058	0.2
125.09730	2.0
125.91682	0.2
127.11301	3.1
143.10793	0.2
155.14417	0.9
163.11243	0.2
165.12842	0.6
167.14436	2.4
171.10294	2.9
172.94417	0.2
183.13898	1.6
193.12346	0.8
196.28772	0.2
199.13290	0.2
209.11842	2.5
211.13388	9.6
212.13705	0.5
229.14432	100.0
230.14775	3.3
237.11310	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
56.59319	0.8
58.00584	2.9
59.01380	3.9
69.03458	0.8
69.31590	6.8
71.01379	1.3
71.05013	0.9
73.02950	1.1
74.29145	0.7
80.02698	1.4
81.03444	1.7
83.05023	6.6
84.02158	4.0
95.05030	1.4
125.06093	1.1
125.09731	0.9
135.08171	1.3
136.74841	0.9
139.11281	1.3
141.12856	2.2
151.11273	1.2
153.12831	0.9
163.11290	6.5
165.12845	6.4
167.10764	1.2
169.12363	5.9
171.13934	2.2
181.07112	1.0
181.12338	3.4
182.77623	0.7
183.13947	6.1
191.10800	1.8
199.13388	30.7
200.13620	0.9
209.11824	100.0
210.12198	3.5
227.03394	1.2
227.12886	48.8
227.16475	1.9
227.20123	3.9
228.13231	1.5
232.52429	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07007	0.1
56.42689	0.2
57.03451	0.5
69.03473	0.3
69.33840	0.2
69.34401	0.7
69.34827	0.7
71.04991	0.2
80.64717	0.2
81.72916	0.2
82.56326	0.2
85.77585	0.2
111.08175	0.8
127.44720	0.2
165.12836	19.7
166.13179	0.7
183.13887	100.0
184.14224	3.6
191.10817	0.3
209.11827	2.0
227.12869	23.4
228.13261	0.9
242.38869	0.2
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	Unknow
Peak:m/z	Relative Intensity
53.73651	0.4
66.19098	0.4
66.43214	0.4
70.05862	1.6
70.06213	0.5
71.05001	0.6
80.02682	1.8
81.03452	1.9
83.05031	6.9
84.02161	4.0
86.88540	0.4
95.05043	1.0
101.08331	0.5
115.00586	0.4
123.21841	0.4
125.06071	0.7
135.08191	0.7
163.11287	5.4
165.12863	4.1
181.12285	1.1
191.10800	1.5
199.13402	0.8
209.11816	100.0
210.12143	3.5
227.12881	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	227.1289
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
70.24841	0.8
70.25230	0.8
71.05005	0.7
80.02673	1.6
81.03460	1.7
83.01378	0.4
83.05029	6.1
84.02168	3.1
95.05033	1.2
98.19962	0.4
125.06038	0.4
131.67572	0.3
135.08105	0.6
135.82365	0.4
163.11285	5.9
165.12856	4.2
181.12375	0.9
191.10782	1.5
199.13365	1.0
199.20593	0.5
209.11821	100.0
210.12190	2.9
227.12849	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	227.1289
Annotation	(-)-12-hydroxy-9,10-dihydrojasmonic acid
Peak:m/z	Relative Intensity
53.65174	0.4
53.81940	0.4
57.03443	3.7
59.01378	0.8
69.03452	1.3
69.96427	0.7
69.96822	1.2
77.73752	0.4
80.02681	0.5
81.03465	1.3
83.05032	5.2
90.67878	0.4
91.02837	0.4
95.05037	4.5
97.06593	21.8
109.06622	0.4
123.08227	1.0
125.09735	0.8
133.10225	2.5
134.56589	0.4
135.08134	0.7
149.09718	3.3
151.11282	100.0
152.11659	2.4
163.11374	0.5
165.12881	0.8
177.09149	0.6
183.13882	4.6
190.10069	0.4
195.10262	16.2
199.13396	0.6
209.11845	5.7
213.11374	0.9
227.04903	2.6
227.12865	21.7
227.16333	0.9
227.20177	0.9
228.13162	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
56.14417	0.3
57.03429	0.5
58.00592	1.7
59.01359	0.9
69.03450	0.6
69.36675	2.0
71.01371	0.5
71.05051	0.4
81.03473	0.3
83.05009	0.9
84.02164	0.5
95.05022	1.2
98.19873	0.5
109.06551	0.4
113.09547	0.3
125.09694	0.3
139.11282	1.9
151.11320	1.7
153.12839	4.2
155.10776	0.3
155.14433	1.2
163.11269	1.2
165.12830	2.6
171.13937	0.7
181.12326	3.4
183.13879	1.3
191.10832	0.6
199.13383	17.4
200.13695	0.3
209.09879	0.6
209.11818	9.2
227.12871	100.0
228.13228	4.1
228.47935	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.9963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
57.03452	11.0
59.01386	5.2
61.98834	1.3
62.82816	0.9
67.01878	1.5
68.99818	4.1
70.10679	3.5
71.01382	33.1
72.99308	1.6
73.02944	5.3
74.40814	1.0
74.64867	1.1
74.94540	1.0
77.47959	1.1
83.01390	10.7
84.53963	1.0
84.99320	1.4
85.02946	11.4
87.00882	5.0
96.44970	0.9
96.99286	1.1
99.00880	57.3
101.02460	2.5
103.07272	1.1
111.00882	39.1
112.98809	100.0
113.99195	1.2
115.00349	4.8
129.01942	24.3
142.99855	11.0
173.00905	39.0
191.01982	9.0
208.98557	3.8
212.36734	1.0
226.99626	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0924
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
57.03447	0.9
59.01379	1.5
63.03880	0.4
68.99817	0.5
70.73895	1.1
71.01371	0.9
72.99308	100.0
75.00874	2.3
79.95731	1.7
81.03455	0.6
83.01390	0.5
83.05022	1.5
85.02937	0.9
95.01391	0.8
95.05025	0.7
97.02942	1.1
97.06608	1.0
102.01404	0.4
105.74092	0.4
107.05048	0.7
109.02995	0.5
111.00869	0.9
112.98797	0.5
113.06052	0.9
122.03721	0.6
123.04549	1.0
123.08192	0.9
125.06110	0.5
137.06084	0.8
138.06851	1.3
139.07643	4.3
151.07628	3.3
152.08464	3.6
153.09186	1.9
163.11287	1.1
165.09216	4.2
165.12860	1.7
167.03474	0.7
167.07137	1.6
181.07190	0.7
183.13884	2.7
186.09317	0.6
209.08408	2.6
209.11815	18.3
209.13794	0.9
210.12259	0.6
227.00256	0.8
227.09241	48.0
227.12894	3.6
227.16402	0.9
227.20198	1.7
228.09760	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1859
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
52.01599	0.4
59.01375	2.3
61.98816	0.9
65.00342	1.0
71.12589	0.6
76.35673	0.5
81.03461	0.6
83.05019	1.0
93.03446	1.1
109.06570	0.5
118.44270	0.5
181.12357	0.5
207.10254	1.3
207.17487	1.3
225.00435	0.9
225.11365	3.8
225.18587	100.0
226.18942	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	226.9963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
57.03452	11.0
59.01386	5.2
61.98834	1.3
62.82816	0.9
67.01878	1.5
68.99818	4.1
70.10679	3.5
71.01382	33.1
72.99308	1.6
73.02944	5.3
74.40814	1.0
74.64867	1.1
74.94540	1.0
77.47959	1.1
83.01390	10.7
84.53963	1.0
84.99320	1.4
85.02946	11.4
87.00882	5.0
96.44970	0.9
96.99286	1.1
99.00880	57.3
101.02460	2.5
103.07272	1.1
111.00882	39.1
112.98809	100.0
113.99195	1.2
115.00349	4.8
129.01942	24.3
142.99855	11.0
173.00905	39.0
191.01982	9.0
208.98557	3.8
212.36734	1.0
226.99626	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1495
Annotation	Blumenol B
Peak:m/z	Relative Intensity
50.15858	1.2
50.67400	1.1
57.03443	1.6
59.01379	16.6
61.01797	1.1
61.98820	1.3
62.96923	1.3
64.36021	0.9
65.58231	1.0
68.99820	1.3
69.03425	1.2
71.01378	2.0
71.04978	1.3
71.55254	1.4
75.00875	1.6
81.03445	1.5
83.05058	2.7
93.03456	3.9
95.05023	1.9
97.02940	4.7
98.42652	1.3
99.00916	1.2
101.02419	2.8
109.02915	2.1
109.06598	8.1
121.06586	1.5
123.04495	1.4
125.06041	1.4
126.90495	1.5
137.02399	3.4
142.02699	1.9
149.54184	1.1
163.11272	9.8
163.14870	1.7
165.01884	1.4
174.48169	1.0
178.83374	3.4
181.12329	9.5
183.06758	1.6
189.12766	1.4
195.02928	2.9
195.06628	1.3
195.13919	16.5
197.15399	3.1
207.10280	28.2
207.13882	54.2
208.14177	2.1
210.05276	2.8
224.80321	1.3
224.82678	1.2
224.90605	1.3
225.00400	2.8
225.07571	3.8
225.11411	47.0
225.14928	100.0
226.11804	1.5
226.15273	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	225.1608
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
53.37803	0.4
58.02960	0.5
58.67192	0.4
59.01375	3.3
68.99809	0.9
69.03461	0.5
71.01366	0.8
71.51546	0.4
71.55254	0.7
72.04538	0.4
77.03946	0.6
80.05073	0.7
81.03458	11.6
83.05024	66.0
84.05334	1.0
87.00915	0.4
90.41385	0.4
93.03450	2.1
95.01382	0.7
95.04996	0.5
96.25378	0.5
96.96019	3.8
97.02901	0.5
101.02448	1.1
105.03458	0.8
107.05031	0.8
107.06123	0.7
108.04543	1.1
109.02907	0.7
109.06604	0.5
121.02962	1.5
122.06124	0.5
123.00877	3.2
123.04534	1.6
125.02406	0.5
125.07196	2.7
134.03702	0.4
137.02417	1.2
138.05612	0.8
142.19884	0.4
143.07280	0.4
143.08220	2.2
145.08687	0.5
149.02434	1.5
151.00377	1.3
151.04016	0.7
152.01175	1.5
153.01956	0.5
163.11311	0.7
165.01920	1.0
167.03537	0.9
168.77684	0.5
178.83485	0.8
180.12051	0.4
181.05099	0.9
181.08749	0.7
181.12360	0.6
182.08234	0.8
192.04155	0.6
195.02969	10.1
195.06557	0.5
207.10277	1.7
207.15019	9.4
210.05319	15.1
210.07312	0.8
211.05614	0.6
225.00494	1.0
225.04198	2.6
225.07675	9.9
225.11485	4.2
225.16074	100.0
226.16409	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	225.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.7
61.76892	0.5
62.07645	0.4
62.31378	0.4
70.24004	1.4
70.80334	0.4
71.05007	0.5
77.85519	0.4
80.13757	0.4
81.03476	1.0
83.05009	0.7
92.75608	0.4
97.02953	9.3
97.06563	0.5
98.20507	0.7
99.00883	2.6
109.06599	5.2
110.03739	5.3
113.74506	0.4
123.04507	0.7
125.09703	1.2
135.08191	2.0
136.05286	1.8
142.02713	3.2
161.09734	1.0
163.11278	12.3
165.97395	0.5
174.07164	0.4
179.10760	0.8
181.12335	27.0
182.12685	0.9
197.11884	1.0
201.58067	0.4
207.10248	65.8
208.10609	2.4
225.11305	100.0
226.11664	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	225.1131
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
59.01379	14.9
68.99839	1.0
69.03449	1.7
70.59099	2.2
71.01379	1.3
71.05024	1.6
73.02940	5.3
75.04893	0.7
80.02686	1.5
81.03452	6.4
83.05035	4.8
84.02157	3.5
85.02946	1.0
93.03443	2.7
95.05006	1.8
97.02954	11.0
97.06599	1.1
97.80466	0.8
99.00867	1.8
101.02425	1.2
107.05034	1.1
109.03013	1.0
109.06591	47.4
110.03759	4.4
110.06956	1.9
111.04533	1.0
121.06579	3.0
123.04472	1.5
125.09703	1.0
126.90511	1.0
135.08176	5.9
136.05305	1.6
137.02415	1.1
138.02055	0.7
142.02716	5.8
159.29066	1.0
161.09682	3.2
163.11293	30.2
165.09187	1.1
166.74442	0.9
178.83421	1.2
179.10863	2.2
181.12329	42.1
182.12637	0.8
189.09218	1.8
195.02992	1.9
197.11787	0.9
206.97089	0.9
207.10252	89.6
208.10583	4.0
210.05296	1.3
225.07671	2.5
225.11316	100.0
225.14934	3.5
225.24483	0.8
226.11670	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	225.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92966	0.5
58.41417	0.6
59.01380	100.0
62.89097	0.5
69.25726	5.0
71.18835	0.6
81.03475	1.1
84.99107	0.6
85.22087	0.6
97.06595	2.6
99.77107	0.5
109.06634	0.6
134.03770	1.2
135.08183	1.9
138.06886	1.5
147.08171	3.3
149.06070	1.4
153.09279	3.7
163.11316	1.1
164.26723	0.6
165.09209	2.0
181.12419	0.6
207.10196	1.0
225.11308	43.2
225.14961	3.0
226.11765	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	225.1132
Annotation	Chloriolide
Peak:m/z	Relative Intensity
51.43367	0.6
59.01381	3.9
61.98804	0.6
65.99325	0.6
69.03449	0.7
70.14155	1.6
70.14562	1.0
73.02940	1.0
80.02681	0.8
80.10423	0.5
81.03453	2.2
83.05025	1.7
84.02161	1.1
97.02947	7.9
99.00891	1.2
109.06583	18.6
110.03735	4.3
121.06601	0.7
135.08209	3.1
136.05313	1.6
137.97876	0.5
142.02765	3.1
144.84979	0.5
161.09729	1.4
163.11288	14.9
179.10675	0.9
181.12340	12.6
207.10249	69.9
208.10637	2.2
225.11313	100.0
225.14940	7.1
226.11653	3.6
242.92558	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1338
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.40233	0.5
57.03442	1.3
59.01378	4.0
69.03456	4.3
69.08219	0.5
69.19415	5.2
69.19769	0.7
71.05014	1.7
85.06575	1.1
95.05031	0.7
109.06564	1.5
125.09708	1.2
135.11746	0.8
141.09221	0.6
149.09688	0.8
160.88692	0.5
161.13359	1.3
167.10750	7.3
177.12772	1.3
179.10803	2.6
179.14394	9.6
195.13889	23.9
196.14131	0.9
205.12323	21.5
206.12608	0.9
223.13371	100.0
224.13763	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	223.061
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
59.01104	1.2
59.01381	14.5
64.45037	0.6
71.32211	1.4
76.78238	0.7
80.96506	3.5
85.02982	1.1
87.00872	14.6
91.05531	59.6
92.05877	1.4
101.02454	1.5
105.76263	0.7
107.82404	0.7
117.07107	13.8
121.02920	1.2
123.04478	0.7
133.06596	31.3
135.04521	3.7
142.01669	1.2
153.51050	0.6
161.06075	52.7
162.06474	1.0
163.04002	78.0
163.06178	2.3
164.04341	1.6
177.05519	1.1
179.07117	5.4
193.01424	0.9
198.24504	0.8
205.05005	2.4
208.03745	1.1
223.06102	100.0
223.13406	1.9
224.06340	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	223.0611
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
52.77127	0.7
59.01379	10.6
60.91771	0.7
65.83536	0.7
70.82351	1.1
70.82674	1.7
85.02940	0.9
87.00871	15.6
91.05531	62.4
92.05868	1.8
114.17442	0.9
115.04272	1.0
117.07107	16.1
130.73537	0.8
133.06595	34.6
134.12711	0.8
135.04523	3.8
161.06071	50.6
162.06467	2.1
163.04008	80.0
164.04341	2.9
165.09215	1.0
179.07098	5.8
205.05034	2.8
223.06110	100.0
224.06407	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	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25309	1.6
51.91131	1.9
55.01884	8.6
56.58036	1.7
57.03449	20.3
58.27125	1.9
59.01376	46.0
61.98829	8.7
67.69755	1.8
68.99814	3.6
71.01380	37.8
72.99315	7.3
73.01168	2.2
73.02943	5.0
74.99115	3.4
75.00873	8.3
78.17078	1.6
80.96507	2.8
83.01384	23.5
84.02154	4.6
85.02952	100.0
87.00882	6.6
88.98824	2.3
89.00705	2.1
89.02453	2.2
89.37871	1.7
91.02233	2.5
99.00887	10.4
101.02452	18.4
108.93748	8.2
110.92645	2.2
111.00883	55.5
112.98811	49.3
117.29880	2.1
120.99633	2.6
125.02502	2.7
126.90374	3.9
128.89989	2.8
129.01932	35.9
132.95505	1.8
135.01207	3.5
135.04832	16.8
136.99162	4.3
138.91203	4.5
141.86809	7.3
143.03493	4.8
145.01414	4.6
146.86665	2.1
147.03004	7.6
150.94800	44.9
159.14069	2.0
161.04642	3.7
162.91179	21.6
163.06084	4.9
176.83716	16.6
193.01352	2.5
205.03537	46.2
208.03731	2.8
223.02560	4.1
223.04538	40.7
223.06355	5.5
223.13335	3.8
223.31738	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	217.9764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
78.55314	0.2
79.11489	0.2
82.02984	0.3
83.14878	0.2
87.52419	0.2
106.03941	0.2
108.02171	6.3
118.06633	1.9
131.07170	0.2
138.01971	100.0
139.02306	1.8
156.08195	0.2
174.09174	0.2
175.04037	0.3
180.85364	0.2
217.97632	8.3
218.00719	0.4
218.08347	0.2
218.98085	0.2
219.17497	0.3
223.59721	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	29.2
59.79262	0.4
67.26909	0.3
69.41494	2.5
71.01387	1.1
73.02947	1.1
73.78876	0.3
81.60294	0.4
83.75981	0.3
85.02966	0.7
87.00864	0.8
87.02727	3.1
98.19865	0.6
101.02455	0.7
104.82111	0.4
131.03503	0.6
131.05377	1.4
133.06931	100.0
134.07262	1.6
137.02425	0.8
138.22382	0.4
143.03481	0.4
161.04550	2.3
177.05524	0.5
221.08499	22.4
222.08792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1079
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
53.64206	0.5
58.07983	0.5
59.01377	53.6
60.01672	0.8
69.63941	3.1
69.64361	1.1
76.35674	0.6
89.80171	0.5
95.42122	0.5
112.78229	0.6
113.09718	2.6
125.09720	1.4
127.11283	2.1
129.60616	0.5
137.09691	2.8
150.92967	0.6
153.09218	1.3
155.10773	32.2
156.11053	1.4
157.08702	2.3
171.10255	45.4
172.10599	0.9
174.99216	2.3
181.08733	1.1
199.09734	6.1
217.00238	3.5
217.10782	100.0
218.11104	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	215.0923
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
51.13937	0.5
54.46157	0.5
55.02448	0.6
57.03451	1.8
59.01375	2.2
67.05526	0.7
71.01383	2.2
71.54617	0.6
73.02944	16.1
73.76277	0.5
85.02956	7.5
85.06573	2.7
90.37386	0.5
93.98625	0.6
95.05051	1.1
97.06583	1.1
106.16705	0.5
109.06616	0.8
111.04539	0.8
111.08135	0.5
113.06099	1.3
121.06595	0.7
122.89481	0.6
123.08162	11.1
125.09728	2.3
130.08769	0.7
135.04550	1.0
135.08170	3.8
140.97672	0.5
141.09216	100.0
142.09532	2.1
144.00943	2.1
153.09212	37.8
154.09531	0.8
167.07152	0.8
171.10269	97.0
172.10608	1.6
185.08170	16.9
197.08182	14.2
215.01009	19.8
215.07385	1.8
215.09221	49.4
216.01242	0.6
216.09717	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1652
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
57.03437	0.7
59.01374	0.9
66.03482	0.6
67.03822	0.4
69.17842	3.4
71.01383	0.5
89.02448	0.8
101.02396	0.3
111.08190	0.5
122.89423	0.5
139.11292	8.0
144.00922	1.8
159.84465	0.3
167.14340	0.3
169.15982	4.1
171.02063	0.5
183.10255	4.1
186.89748	0.6
197.15471	1.1
201.11324	0.7
204.47722	0.3
212.14272	0.3
213.14940	0.9
215.00993	15.2
215.07071	1.3
215.16510	100.0
216.01273	0.9
216.16806	3.2
219.72893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.9638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00314	0.4
51.14244	0.4
57.97558	7.7
59.01367	0.8
69.83806	0.4
71.05022	0.4
71.55598	0.6
73.45289	0.3
74.02494	0.6
102.05614	1.2
116.60564	0.4
134.00699	100.0
135.01019	1.8
144.00931	0.8
150.00185	14.7
161.70314	0.4
168.32068	0.4
171.01761	0.4
213.14989	1.4
213.18532	0.8
213.96362	87.4
214.08804	0.7
214.10817	0.8
214.15378	0.4
214.96626	1.7
215.00981	5.2
215.09236	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0923
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
59.01371	2.2
67.05503	0.8
69.80175	0.8
71.01389	2.0
71.65675	0.7
73.02941	17.5
85.02957	6.7
85.06583	2.4
97.06574	1.7
121.06590	1.1
123.08160	12.4
125.09686	1.1
135.08165	5.4
141.09213	98.7
142.09546	2.1
144.00920	2.6
153.09209	38.3
169.08658	0.8
171.10263	100.0
172.10599	2.9
185.08174	19.1
197.08170	14.2
215.00981	20.4
215.03096	1.7
215.07408	1.8
215.09219	51.1
215.12456	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	213.1132
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
51.04848	0.4
57.03442	3.5
59.01378	1.5
69.03451	0.5
69.53722	2.6
83.05036	0.7
85.06584	0.5
91.88242	0.4
108.52586	0.4
109.06551	0.5
111.08159	4.9
123.08158	31.3
124.08472	0.6
125.09727	4.3
127.11257	0.4
137.09712	8.1
139.11288	53.5
140.11601	1.1
149.09685	1.0
151.11275	9.8
153.09227	0.9
155.10756	0.7
167.10806	2.4
168.98953	0.5
169.12323	6.3
183.13889	0.5
185.11765	2.7
191.73233	0.3
195.10251	0.5
195.13922	0.5
207.43445	0.4
213.11310	100.0
213.14825	3.2
214.11641	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	213.1496
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
50.22944	0.1
59.01385	0.2
69.76022	0.8
76.37022	0.1
85.30457	0.1
88.86725	0.1
90.37201	0.2
96.48915	0.1
133.26031	0.1
135.08162	0.6
137.09726	3.0
148.78304	0.1
165.12846	0.4
170.70593	0.1
177.12819	0.3
183.13899	23.4
184.14275	0.9
195.13898	20.0
196.14201	0.8
211.13400	0.6
213.14957	100.0
214.15315	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	213.1131
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
57.32539	0.3
59.01385	0.3
59.81775	0.3
60.84020	0.3
69.03471	0.6
69.20196	2.8
71.45698	0.3
83.05085	0.4
84.05638	0.3
97.06593	1.0
103.44254	0.3
137.09679	0.4
151.11273	11.5
168.98926	0.5
169.12331	100.0
170.12662	2.1
195.10223	1.1
213.11304	21.0
213.14861	1.2
213.18562	0.4
214.11716	0.5
232.67790	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
57.03456	1.2
65.78105	0.2
68.06571	0.2
71.55315	0.3
78.86227	0.2
79.06452	0.2
81.03463	0.3
83.05025	0.4
84.58296	0.2
87.04520	0.7
89.87320	0.2
94.04242	1.1
95.05030	1.0
97.06610	0.3
107.08612	0.4
109.06601	1.4
117.07133	0.3
119.05089	0.2
119.08658	0.8
120.05814	1.3
121.06606	0.5
130.61818	0.2
135.08167	19.9
136.08516	0.3
137.09723	100.0
138.10042	2.2
139.91830	0.2
147.03612	0.3
151.07660	0.2
168.98938	0.3
169.12320	0.3
181.08728	1.6
183.13936	0.3
195.10274	0.2
213.11316	6.4
213.13226	0.4
213.14880	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23730	0.4
62.20288	0.3
69.03458	0.6
70.77635	0.8
79.67390	0.4
83.05024	0.5
94.31096	0.4
119.60526	0.3
129.21823	0.4
149.25258	0.3
167.10803	0.7
167.14391	1.6
183.13896	13.2
193.12332	3.2
211.13380	100.0
212.13776	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	212.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79842	0.3
59.01371	0.6
61.19501	0.3
65.21366	0.3
71.05025	2.5
71.54456	0.4
79.95736	0.4
81.03506	0.5
83.05022	2.9
84.04566	1.9
96.00912	2.8
97.01691	4.6
98.02466	1.1
98.06167	0.6
100.04041	4.5
102.05608	23.6
106.06625	1.4
108.04556	1.4
109.02935	0.6
110.06168	0.4
111.04527	2.2
113.45191	0.4
122.06142	0.7
124.04033	0.4
124.07664	0.9
126.05608	100.0
127.04025	0.7
127.05954	1.2
138.05627	0.7
139.06387	1.5
140.10880	0.6
142.90367	0.3
150.05576	0.5
150.09216	0.5
167.99469	0.4
168.06599	0.5
168.10272	0.9
183.05354	5.7
190.70973	0.3
194.90126	0.4
201.56310	0.4
212.05589	1.1
212.07516	0.5
212.09274	7.5
213.02240	1.6
213.14969	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	213.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
59.01390	0.4
69.03407	0.4
70.77782	0.4
70.78098	0.7
86.39315	0.3
92.21707	0.3
95.05039	0.4
97.06567	0.4
109.88653	0.4
125.09712	0.7
137.09723	0.6
151.11278	14.6
152.11694	0.4
157.75052	0.3
168.98936	0.8
169.12334	100.0
170.12737	2.4
181.08659	0.7
183.13744	0.6
183.18283	0.4
195.10211	1.2
213.01453	0.7
213.11310	20.8
213.14893	1.8
213.18251	0.4
214.11649	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0612
Annotation	Danielone
Peak:m/z	Relative Intensity
57.03445	2.1
57.78219	1.1
59.01103	2.2
59.01375	27.6
61.98818	4.8
69.69532	1.3
69.80351	2.2
69.80768	5.1
72.99295	2.1
81.03457	1.7
83.05039	1.3
85.02962	2.4
85.06587	5.0
87.85828	1.1
93.07043	1.5
95.01389	3.2
95.05034	1.1
96.96012	4.5
98.15501	1.1
103.92056	1.9
104.05073	1.2
105.05383	8.9
106.19833	1.1
107.05035	2.2
108.02183	8.9
109.02957	10.8
109.06574	1.5
113.99590	1.5
120.02151	6.6
123.04518	5.3
123.08148	2.4
124.04053	1.5
125.02453	1.2
129.05588	19.0
134.03740	16.2
135.04518	2.9
136.01659	63.1
137.06084	1.7
138.03244	2.5
139.04034	1.4
139.07593	1.7
147.50633	1.1
148.01657	58.6
149.02278	1.2
149.04373	13.9
149.06136	3.1
150.03151	1.7
151.04004	100.0
152.01131	1.3
152.04295	1.6
152.91772	3.4
153.05571	58.0
156.93958	1.9
163.03999	63.1
165.01888	2.3
166.02760	5.7
166.05096	4.4
166.91040	8.8
166.93881	1.4
167.05431	28.2
170.11230	1.6
181.05063	70.9
182.05435	2.0
183.13942	2.3
193.05067	1.4
196.03754	8.3
210.91595	2.0
211.00296	1.5
211.02579	2.3
211.04391	3.8
211.06116	44.0
211.08148	2.3
211.13361	18.4
221.49837	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.49076	0.3
57.02778	0.4
57.42347	0.3
62.12944	0.3
64.08788	0.3
69.03448	0.8
70.59900	1.0
114.44276	0.3
114.61887	0.3
121.65398	0.3
126.40507	0.3
155.10750	0.5
165.12701	0.5
167.10730	0.6
167.14388	1.1
183.13885	12.6
184.14226	0.4
186.22670	0.3
193.12335	2.9
211.13377	100.0
212.13737	2.9
213.99049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0407
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
59.01390	1.5
61.98830	6.2
64.01936	0.5
69.01682	0.4
71.08342	0.5
71.08664	0.4
77.03979	0.7
80.91944	0.4
82.30794	0.4
83.22382	0.4
85.85625	0.4
86.83413	0.4
90.60824	0.3
92.05071	1.1
94.03021	0.9
95.01398	0.5
96.96046	0.6
103.04269	2.0
103.92103	0.4
104.05061	35.0
104.81571	0.4
105.05415	0.6
109.02937	0.8
110.06135	0.5
120.02156	0.5
120.04549	5.4
122.06141	1.6
123.04529	0.5
124.04015	2.5
129.05560	0.7
134.03738	0.5
134.29205	0.4
136.01675	0.9
148.01657	4.5
148.04041	60.4
149.02496	0.4
149.04387	0.6
151.04037	1.6
153.05586	4.3
156.93878	0.6
163.04001	3.7
166.05083	100.0
166.91052	1.7
167.05408	1.8
181.05032	5.1
209.94911	1.5
210.04051	15.1
210.12190	0.5
210.89961	0.4
211.06056	2.4
211.13403	1.7
212.80586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18854	0.3
54.33065	0.2
54.83795	0.3
61.98829	100.0
69.57230	1.5
81.22386	0.2
98.99498	0.2
102.54065	0.2
107.11259	0.3
163.95580	0.6
187.50267	0.3
205.97411	0.3
209.94891	72.0
210.94948	2.8
227.62987	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87254	0.3
55.09978	0.2
61.98830	100.0
69.50264	0.3
71.01334	0.7
75.00902	0.3
87.00878	0.5
100.98838	0.4
107.54240	0.3
109.54570	0.3
118.99854	0.3
128.30042	0.3
142.99841	0.4
144.00258	0.3
163.95677	0.3
164.96390	0.3
186.61098	0.3
189.01540	0.4
209.94899	39.4
210.94901	1.4
225.96132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68597	0.2
55.01880	2.5
55.35680	0.2
57.03442	2.9
59.01372	1.2
61.98837	1.2
67.01897	0.2
69.03455	1.4
71.01383	4.7
71.05015	0.9
71.54419	0.3
73.02961	0.3
80.02676	1.1
81.03454	3.0
83.01385	17.6
83.04572	0.3
83.05030	4.1
83.05492	0.5
84.02151	1.3
92.99831	0.4
93.03449	0.7
95.05031	2.1
97.06585	3.4
99.04568	0.3
100.08009	0.3
106.04253	0.4
107.05036	0.6
108.02117	0.3
109.06588	0.5
111.08178	1.2
120.02158	0.3
121.02962	8.8
121.06541	0.2
123.08163	2.2
125.06123	0.3
125.09724	17.1
126.10038	0.5
134.03770	0.6
135.04488	0.5
135.08157	1.7
137.06024	0.6
137.07683	0.3
137.09750	0.3
145.10216	0.5
147.08208	0.3
147.11816	1.6
149.09729	0.7
151.11290	5.9
152.11626	0.3
153.12869	1.2
161.09695	0.4
163.11293	9.4
164.11566	0.3
165.12839	6.9
165.24446	0.2
167.10770	1.3
173.09714	1.1
179.10733	1.3
181.12338	12.3
182.12617	0.3
184.77727	0.3
191.10786	9.9
209.04515	1.7
209.11815	100.0
209.94911	0.9
210.12119	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70473	0.3
52.68626	0.3
57.03448	6.5
58.00592	0.6
59.01379	2.6
61.98834	2.7
67.43542	0.3
69.03473	1.6
71.01381	13.3
71.05019	1.2
71.12126	0.8
73.02953	1.9
80.02666	1.9
81.03455	1.8
83.01397	0.4
83.05029	4.2
84.02158	1.2
85.02951	0.7
86.25162	0.3
92.99827	0.5
93.03459	1.4
95.05028	3.1
97.02964	0.4
97.06590	4.0
100.61161	0.3
106.04247	0.4
107.05029	1.1
108.02189	0.5
109.06606	0.7
111.08158	3.7
112.01656	0.5
120.02126	0.4
121.02958	18.6
122.03658	0.3
123.08150	0.8
125.02470	0.7
125.09738	4.4
134.03738	0.7
135.04477	0.6
135.08180	1.1
135.13728	0.3
136.01636	0.3
137.02501	0.3
137.06044	0.6
137.09691	0.6
144.00670	0.7
145.10257	2.1
147.08279	0.3
147.11823	1.9
149.09700	0.6
151.11279	21.1
152.11629	0.7
153.09187	0.6
153.12848	3.2
161.09721	0.7
163.11295	6.1
165.12842	23.7
166.13182	0.9
167.10799	1.7
173.09695	1.7
179.03563	0.4
179.10782	6.3
181.12335	29.7
182.12682	0.7
191.09027	0.7
191.10776	14.4
192.11099	0.4
209.04564	3.2
209.11824	100.0
209.94917	1.3
210.12158	2.9
212.62808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
54.80546	0.4
56.76488	0.4
59.01362	0.9
64.53387	0.4
67.55936	0.4
69.03439	0.4
69.51406	1.3
69.51838	1.6
80.82479	0.4
93.03420	0.6
120.02144	0.4
121.02956	10.5
133.54863	0.4
135.04482	0.4
163.11327	0.5
165.12746	0.7
175.88618	0.4
181.12325	0.5
191.10762	0.7
193.15051	0.4
209.04584	2.7
209.11823	100.0
209.15392	5.9
210.12134	3.0
222.59387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35616	0.4
55.01874	0.5
57.03450	6.8
58.00577	0.5
59.01379	2.1
62.14518	0.4
69.03448	1.9
69.70231	1.2
69.70644	1.3
71.01379	16.3
71.02877	0.4
71.05004	1.4
73.02937	1.5
80.02661	2.1
81.03450	2.5
83.01379	2.1
83.05010	4.9
84.02149	0.9
85.02953	0.4
87.21758	0.4
91.21818	0.4
93.03449	1.0
93.07154	0.4
95.05034	3.4
97.02947	0.5
97.06581	5.6
97.95776	0.5
99.04543	0.4
107.04996	0.4
107.08755	0.5
108.02206	0.5
109.06622	1.0
111.08171	4.1
112.01620	0.6
115.47709	0.5
117.06964	0.4
121.02959	5.2
123.08164	1.3
125.02424	1.3
125.09705	5.6
134.03711	0.8
135.08141	1.2
137.06183	0.5
137.09737	0.9
142.73689	0.4
144.00670	0.5
145.10228	1.7
147.08244	0.6
147.11790	2.1
149.09738	1.1
151.11275	24.0
153.09218	0.7
153.12830	3.9
156.86421	0.5
161.09712	0.5
163.11269	8.5
165.12846	25.8
166.13161	0.7
167.10754	1.6
173.09712	2.3
179.10757	6.6
181.12332	38.9
182.12718	1.2
191.10770	15.6
192.11020	0.5
192.18878	0.4
209.11810	100.0
210.12199	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	209.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
57.03449	2.1
59.01381	100.0
74.18896	0.5
81.03463	1.8
95.05035	0.7
95.66761	0.6
97.06610	3.2
109.06593	3.6
121.02969	7.3
126.54330	0.7
145.30254	0.6
165.12845	4.7
209.04544	1.2
209.09880	1.4
209.11830	24.7
210.12083	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.25556	0.7
57.03450	3.7
57.97303	0.7
59.01379	10.5
69.03075	1.1
69.03458	20.1
71.01360	0.8
71.05024	3.8
81.03454	1.3
83.05026	2.2
90.33574	0.7
93.03462	1.1
95.05018	2.3
96.96008	0.9
97.06618	1.2
108.05819	2.3
109.06577	2.3
111.08174	4.6
121.02940	3.1
121.10211	1.2
127.07637	0.8
135.08162	2.1
139.07703	1.5
147.11786	2.5
151.76160	0.7
153.09189	6.2
163.11243	3.4
165.09204	2.5
165.12837	20.6
173.09682	2.5
181.12340	21.3
182.12646	0.7
191.10774	26.7
192.11134	1.1
201.78143	0.7
202.97253	0.7
209.11818	100.0
210.12128	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.7
57.03450	1.7
59.01353	0.3
62.23186	0.3
68.84872	0.2
69.03465	0.7
71.01375	0.6
71.05023	0.5
71.31068	0.6
80.02676	0.7
81.03468	4.0
83.01388	24.2
83.05017	3.0
84.01721	0.4
84.02169	0.7
89.82755	0.3
93.03448	0.4
95.05022	1.4
97.06589	4.5
99.04529	0.3
102.89719	0.3
109.06606	0.6
110.03714	0.4
111.08171	0.4
121.02975	1.6
123.08160	2.0
125.09727	20.8
134.03717	0.3
135.08160	1.7
137.06123	0.3
142.59230	0.3
147.11763	0.8
149.09735	0.4
163.11290	8.4
165.12851	3.1
167.10791	0.8
169.24138	0.3
173.09700	0.4
181.12407	1.8
191.10771	7.5
207.10365	0.3
209.11818	100.0
210.12178	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.3
70.36531	1.3
71.83576	0.4
75.00866	0.4
81.03462	1.3
83.05019	1.6
85.02952	0.4
91.01877	0.6
91.27270	0.3
93.03458	1.0
95.05013	0.7
101.02454	0.4
102.80571	0.4
107.05027	1.3
108.02104	0.4
120.02190	0.7
121.02955	32.6
121.06620	0.6
122.03362	0.7
123.04532	4.0
125.05978	0.4
135.04521	1.5
136.01660	0.6
137.06078	0.8
149.02481	0.5
151.04002	25.1
152.04468	0.4
161.02477	0.5
163.11279	1.5
165.05592	1.4
165.12827	0.7
177.01927	0.5
179.03493	96.0
180.03801	2.3
193.05014	2.0
194.05832	100.0
195.06190	2.5
209.04691	8.8
209.08188	37.5
209.11777	20.4
210.04901	0.5
210.08414	0.8
210.12164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65220	0.2
55.01879	3.0
56.57507	0.3
57.03450	1.7
59.01384	0.4
61.98799	0.4
69.03452	0.8
69.41398	1.8
71.01376	0.7
71.05016	0.7
80.02670	0.5
81.03456	3.5
83.01385	25.5
83.05022	2.8
84.01713	0.4
84.02164	1.3
93.03465	0.3
95.05020	1.6
97.02963	0.2
97.06584	4.1
98.19902	0.5
99.04501	0.4
106.04238	0.3
107.05033	0.4
109.06596	0.4
110.03726	0.5
111.08146	0.8
121.02963	4.0
123.08166	1.7
125.06105	0.3
125.09720	21.7
126.10088	0.5
133.81195	0.3
134.03754	0.4
135.08173	1.7
137.06052	0.3
147.11806	0.8
153.12926	0.3
161.09784	0.4
163.11287	9.6
165.12840	3.4
167.10791	0.5
173.09685	0.6
181.12337	1.7
191.10782	7.2
197.09383	0.3
208.67163	0.3
209.04504	1.1
209.11818	100.0
210.12131	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	209.0455
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
58.62658	0.3
59.01355	0.3
61.94183	0.2
65.00323	0.3
70.82204	0.7
79.95719	0.3
84.24319	0.2
90.35880	0.3
91.01906	1.5
95.01385	0.4
120.02172	3.0
121.02954	100.0
122.03290	1.5
124.01662	0.3
133.02930	1.5
136.01659	1.0
149.02472	0.3
165.05817	0.4
178.01431	1.1
179.03448	0.5
181.04997	0.3
194.05962	0.4
209.04547	15.9
209.11809	3.5
210.04877	0.4
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
61.98829	100.0
63.08407	0.2
65.99561	0.2
69.64838	1.1
69.65228	0.3
88.05688	0.2
108.63131	0.2
108.93764	0.2
122.14404	0.2
162.98495	1.3
164.92654	0.2
164.96330	0.4
199.68695	0.2
206.97441	10.4
211.48143	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.9744
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67392	0.2
61.98829	100.0
69.56738	1.4
69.57114	0.5
74.38755	0.2
77.28863	0.2
108.93754	0.3
162.98442	1.3
164.92752	0.4
178.44942	0.2
206.97437	11.1
207.97470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0301
Annotation	L-mannaric acid
Peak:m/z	Relative Intensity
55.01885	1.0
56.99799	1.0
57.03443	9.5
58.00599	1.3
58.99604	1.1
59.01379	23.3
61.98828	23.8
67.01891	1.7
68.96417	0.8
68.99828	0.9
70.00296	2.0
70.00715	1.8
71.01380	12.8
72.99307	11.1
73.02950	1.6
74.99120	1.2
75.00871	100.0
80.96522	2.6
83.01376	1.9
85.02950	14.2
87.00875	64.7
88.01222	1.2
89.02453	5.7
93.01681	0.9
93.03500	1.0
98.19913	1.1
99.00879	5.6
100.82053	0.8
100.98801	38.7
101.02430	5.9
110.93453	2.9
111.00872	2.3
112.98811	10.3
115.00330	0.9
118.99857	38.3
121.03038	3.4
122.95298	1.4
124.98849	1.0
129.01944	25.3
133.01462	1.9
135.03078	1.0
142.99858	39.2
144.00195	1.1
147.02982	10.1
165.04031	57.3
166.04291	0.7
166.92386	4.4
170.42781	0.9
173.00906	13.7
180.42119	0.9
191.01959	1.8
208.98566	1.5
209.01295	1.3
209.02956	5.0
209.04671	2.9
209.06531	1.4
209.94911	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	205.123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44939	0.4
59.01381	4.0
61.98806	0.4
64.90331	0.4
67.01891	0.5
68.99804	0.4
69.03452	1.5
69.64921	1.8
71.01365	1.5
72.99292	0.6
73.02968	0.5
85.02949	0.8
87.00850	0.6
93.03426	1.0
95.05007	1.0
99.00906	0.7
109.06532	0.5
115.00346	1.2
121.03003	0.4
133.02924	0.5
133.06567	0.4
144.15768	0.4
145.02950	1.0
157.64287	0.4
161.06084	0.5
161.09671	0.4
161.13377	1.4
177.05615	0.5
177.12785	0.4
187.11287	1.1
190.02699	0.6
204.95775	0.4
205.05038	1.9
205.12318	100.0
205.15971	4.4
206.12648	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	205.1596
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
56.35149	0.1
59.01384	1.1
63.18678	0.1
69.24724	1.3
71.01381	0.4
71.40595	0.1
72.99313	0.2
85.02961	0.2
88.49524	0.2
98.20776	0.1
99.00835	0.2
102.53883	0.2
124.66308	0.1
143.47823	0.2
145.02982	0.2
162.89331	0.2
170.19792	0.2
174.16322	0.1
189.12888	1.5
190.02724	0.2
205.05106	0.4
205.15974	100.0
206.16330	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	206.0822
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
58.02972	34.3
66.21718	1.0
70.02979	12.7
70.29214	2.0
72.00886	5.6
89.38752	0.8
91.05527	15.5
103.05547	1.4
130.10948	1.0
146.21111	0.8
147.04517	36.3
164.07156	100.0
165.07489	2.3
166.87801	0.8
186.89836	0.8
201.16499	0.9
206.08202	47.0
207.08453	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40518	2.7
55.01871	16.7
57.03442	30.2
59.01377	56.0
60.99290	14.3
61.98819	22.3
67.01880	9.1
68.87897	2.9
68.99809	11.8
70.37635	9.2
71.01006	5.7
71.01379	89.5
72.99305	100.0
73.02946	18.7
75.00464	5.6
75.00872	78.8
76.78749	3.2
83.01379	44.3
85.02522	3.9
85.02956	41.2
87.00862	21.8
89.02431	15.9
96.99304	4.7
99.00883	42.9
100.98779	13.9
101.02435	18.4
111.00878	62.1
112.98810	23.2
115.00356	54.5
117.01930	7.0
123.09286	2.8
129.00980	3.7
129.01936	63.8
133.01405	16.7
142.99863	23.2
143.03517	5.4
145.01418	15.7
173.00853	5.6
175.02368	3.4
205.15924	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	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	9.9
57.03443	11.4
58.02977	12.7
59.01379	97.7
60.99297	5.1
61.98832	24.8
67.01894	7.9
68.99818	11.5
71.01382	100.0
71.42122	3.0
71.42458	3.3
72.99307	72.6
73.02942	16.9
73.03309	2.3
75.00875	44.4
80.61240	2.3
80.96529	2.6
83.01389	28.1
84.99306	3.7
85.02956	22.4
87.00872	48.3
88.98798	5.9
89.02454	13.4
96.99326	6.5
97.06594	2.2
99.00878	48.7
99.04526	4.8
100.98817	5.8
101.02436	19.8
103.00397	6.1
108.93076	2.3
111.00883	90.0
112.98810	65.0
115.00372	91.3
115.03972	3.3
117.01968	17.9
118.03335	14.7
124.98819	9.0
125.02445	7.6
127.00376	9.6
129.01926	27.7
133.01440	7.7
142.99861	24.3
143.03479	6.7
143.07097	3.6
145.01419	25.2
145.05110	8.3
154.99886	15.3
173.00929	14.5
175.02516	8.9
205.03517	13.6
205.05161	4.6
205.07086	5.9
205.08850	6.1
205.10710	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	205.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.4
57.03447	11.5
58.00574	2.6
58.02975	10.2
59.01376	100.0
60.99303	5.0
61.98822	10.4
62.59407	2.3
67.01875	6.2
68.99824	6.6
69.03455	3.0
71.01378	76.5
71.53904	2.1
72.98886	3.6
72.99303	66.9
73.02950	15.0
75.00871	35.3
80.96486	2.7
83.01382	20.5
85.02940	23.7
85.69300	1.9
87.00873	47.1
88.98753	2.2
89.01916	2.0
89.02440	9.0
96.99316	3.4
99.00866	37.6
99.01456	3.9
99.04504	4.3
100.98789	8.3
101.02430	15.9
103.00367	6.1
111.00877	77.9
112.98064	4.7
112.98800	55.1
115.00362	71.0
115.03954	2.5
117.01927	13.9
118.03327	12.5
120.99577	2.5
124.98794	8.5
125.02437	9.0
125.06016	2.2
127.00382	9.0
129.01927	24.9
130.02290	2.9
133.01436	5.5
142.99863	18.5
143.03470	6.3
143.07115	2.6
145.01414	20.2
145.03035	2.6
145.05074	3.6
154.99858	13.6
157.01372	3.4
173.00896	13.6
175.02480	4.8
187.02512	3.6
187.06126	2.3
205.03522	8.2
205.05211	3.3
205.07085	5.2
205.08965	4.9
205.10771	3.8
205.15999	5.0
205.95222	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	203.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01379	2.9
70.55349	0.7
71.01382	0.7
71.05021	0.3
73.02946	0.3
73.13610	0.2
78.95934	0.2
82.77691	0.2
83.05009	0.3
85.02979	0.3
97.02992	0.3
99.08171	0.4
125.09746	0.9
127.11288	11.9
128.11588	0.3
134.03700	0.3
155.10783	6.9
157.12334	45.0
158.12659	1.0
185.11797	1.0
192.31314	0.3
201.11313	0.8
203.12868	100.0
204.13216	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	203.9997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14481	0.1
53.24304	0.1
57.99017	0.1
59.01376	11.8
60.01714	5.1
61.01797	1.2
61.98829	100.0
62.02148	0.2
69.72360	0.7
83.04409	0.1
88.95712	0.1
113.23712	0.1
116.42262	0.1
138.38564	0.1
143.86539	0.3
160.03708	0.5
161.01250	0.2
162.01648	0.2
190.02740	0.2
203.98320	0.3
204.00024	1.2
204.02654	2.2
205.05270	0.1
205.16019	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0876
Annotation	N-Acetyl-D-quinovosamine
Peak:m/z	Relative Intensity
57.03443	3.3
58.02975	9.9
59.01381	9.2
61.98530	1.4
61.98832	18.8
67.42435	0.7
67.83032	0.7
68.91151	0.8
68.99824	1.1
69.03448	2.2
70.03759	0.8
71.01382	10.2
71.07853	1.6
72.00909	0.8
72.04544	2.2
72.99306	6.5
74.02473	1.9
75.00867	3.0
75.28146	0.7
82.06627	0.9
82.33604	0.6
83.01395	2.6
84.04546	4.5
85.02949	13.6
86.06115	1.4
87.00892	5.0
88.04044	4.9
88.49677	0.7
92.96000	1.2
94.95712	1.4
97.02934	1.2
97.95003	0.7
98.02467	1.4
98.03294	0.9
98.06116	6.5
98.54737	0.8
99.00867	3.8
100.04047	15.2
100.07689	0.9
101.02438	2.0
103.92007	1.1
107.97694	0.8
108.04558	2.8
110.06139	2.0
111.00893	5.5
112.07681	1.4
112.98170	0.6
112.98814	4.4
114.05624	1.7
114.09235	2.4
115.00371	6.9
116.01747	2.3
116.07187	16.3
124.07673	3.2
125.02440	2.8
126.05611	1.1
127.00341	1.0
128.00742	0.7
128.03490	0.7
128.07181	3.0
129.01923	2.5
132.03099	0.9
132.06650	2.9
138.05605	2.9
140.07169	16.5
142.08690	1.4
142.99883	1.6
144.06615	1.8
145.01418	2.3
149.98749	1.4
150.98242	1.2
154.99875	1.0
156.06587	0.8
158.08226	39.4
161.89401	1.9
162.07718	4.9
162.89328	1.6
166.83307	4.4
168.06679	3.5
169.70958	0.7
173.98180	0.8
186.07722	15.9
196.90857	0.8
202.07289	0.8
203.79936	1.2
203.96133	1.0
204.02386	3.2
204.08768	100.0
205.03474	2.0
205.09137	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	203.1287
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
57.03445	0.6
59.01383	0.6
69.50417	1.0
69.50824	0.8
70.24727	0.2
71.05009	1.5
71.28979	0.3
74.04649	0.3
74.43077	0.2
93.55221	0.3
97.06610	0.3
99.08158	0.5
125.09731	0.8
127.11292	10.1
128.11633	0.3
137.09785	0.7
139.11244	0.6
155.09570	0.6
155.10783	6.9
157.12332	41.7
158.12646	1.2
174.03049	0.3
185.11836	0.7
201.11305	0.7
203.12866	100.0
204.13239	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	203.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28099	0.3
59.01378	100.0
60.01715	0.3
60.03958	0.3
70.84286	0.3
70.84622	0.9
71.05013	0.3
99.04536	0.4
99.08163	7.8
103.38668	0.3
119.14196	0.3
125.06118	0.8
129.69315	0.4
132.31020	0.3
133.16599	0.3
143.07130	5.8
153.68739	0.3
161.08232	0.5
203.09245	0.3
218.47154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44786	0.2
57.03438	2.6
59.01394	1.4
65.85220	0.3
71.05019	0.4
72.99329	0.3
73.02938	0.3
86.60540	0.3
98.20654	0.8
111.08190	1.3
113.09730	4.0
123.08154	1.2
124.57057	0.2
127.11286	4.1
133.62157	0.3
137.09731	1.0
139.11276	1.2
141.09210	2.0
154.62125	0.3
155.10771	7.9
157.12334	37.2
158.12720	0.7
159.04533	0.5
185.11821	0.6
201.11302	0.8
203.12866	100.0
204.13211	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	201.1132
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
54.54004	0.3
57.03437	0.7
58.00591	2.0
59.01377	5.8
68.11573	0.3
69.41654	2.2
71.01399	0.5
71.04960	0.3
72.99309	0.7
73.02937	1.0
81.03438	0.3
81.98542	0.3
87.04504	0.4
90.56651	0.3
97.06603	0.3
111.04491	0.6
115.55199	0.3
123.08201	0.4
125.09708	5.8
127.11289	9.3
137.09715	1.3
139.11258	1.7
153.09178	0.5
155.10777	4.0
157.03510	0.3
157.12308	0.8
165.09195	3.5
171.10229	3.1
173.06006	0.6
183.10249	2.7
199.09747	2.9
201.11310	100.0
202.11670	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0826
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
59.01381	4.2
62.97479	0.6
66.10812	0.8
69.76678	2.8
72.00498	1.0
72.00907	24.0
74.02473	33.9
94.74319	0.6
112.67268	0.7
116.05062	100.0
117.05419	2.0
127.97621	0.6
130.06628	2.8
132.08159	0.7
142.06628	28.3
143.06964	1.0
157.07646	0.9
159.09271	18.4
161.04774	0.8
186.05620	4.2
203.08266	78.8
204.08607	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	201.1132
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
54.84854	0.6
59.01379	98.3
61.28199	0.6
85.07655	0.6
87.04527	0.7
113.09727	27.5
125.09719	1.0
126.23080	0.6
127.11248	0.7
139.11241	1.7
141.09215	18.7
141.93646	1.3
157.03548	1.3
157.08694	0.8
157.12340	3.1
159.01518	0.8
159.10265	100.0
160.10606	1.5
163.83934	1.1
164.83621	5.9
166.83287	2.0
173.06113	1.0
183.10324	0.7
201.02533	3.1
201.05685	1.3
201.11311	9.9
201.14951	2.5
201.80206	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	201.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84259	0.3
57.03448	3.3
59.01379	7.6
63.36333	0.3
69.03461	1.0
71.05033	0.3
71.55552	0.6
73.02921	0.3
80.02684	0.4
83.05021	0.6
90.16788	0.3
95.05034	0.9
97.06585	12.0
121.06652	0.3
123.08159	5.5
125.09720	100.0
126.10057	1.9
132.39259	0.3
139.11276	0.4
140.29114	0.3
157.03641	0.3
164.83624	2.4
165.83606	0.4
166.83263	0.5
169.08705	3.5
173.06122	0.5
187.09824	0.7
201.02495	1.1
201.05496	1.0
201.11310	12.0
201.14882	1.2
201.80183	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.2
58.00594	1.9
59.01379	4.1
69.23927	3.0
69.57177	0.3
71.01396	0.3
73.02945	0.9
83.05013	0.5
87.04519	0.4
92.25047	0.3
96.96017	3.2
97.06570	0.6
98.20704	0.5
111.08157	0.5
123.08157	0.7
125.06030	0.4
125.09715	6.8
127.11280	9.5
127.12715	0.4
128.11646	0.3
136.46077	0.3
137.09706	2.7
139.11261	1.6
153.09174	0.5
155.10768	4.8
157.12355	0.8
164.83665	0.4
165.09206	3.8
166.09581	0.3
171.10262	2.9
183.10260	2.7
199.09760	3.3
201.02368	1.0
201.11308	100.0
202.11632	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	201.1131
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03455	4.7
59.01381	8.0
63.23915	0.5
69.03454	0.8
69.34943	3.1
69.35355	1.2
71.05020	0.8
80.96540	0.5
83.05070	0.6
92.18320	0.5
111.08155	5.0
122.50052	0.5
125.09695	0.7
137.09731	2.0
139.11290	91.2
140.11647	1.8
142.01556	0.5
153.86330	0.5
157.12344	1.7
164.83592	1.2
173.05969	0.5
183.10254	44.0
184.10596	0.8
201.11313	100.0
202.11678	2.4
215.18680	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50900	0.8
59.01377	52.2
60.14997	0.8
61.98831	8.0
65.91487	0.7
70.02980	3.6
70.93396	1.8
71.01377	3.0
72.04559	1.0
72.99313	4.1
75.00880	1.4
83.05006	1.6
84.04546	3.1
88.04030	2.0
94.06604	1.8
95.05032	8.5
97.01717	1.1
98.02473	12.4
103.73973	0.9
108.04541	3.7
110.02473	22.3
110.06084	4.6
111.04517	3.2
112.04056	9.5
112.07691	7.2
113.06086	1.3
123.03244	2.7
124.04081	3.9
126.05596	4.8
128.03572	1.3
128.07191	1.1
128.90073	0.9
136.04045	6.9
138.05591	15.8
138.06618	1.0
154.05092	24.8
155.03494	4.1
156.06650	19.4
157.03566	2.8
159.01529	1.1
162.83896	3.1
164.83630	3.1
172.06140	3.4
174.03174	3.3
177.65045	1.1
182.02954	1.6
182.04575	35.5
199.80507	2.7
200.05647	100.0
201.02576	6.9
201.05923	2.1
201.12524	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1702
Annotation	Isolauric acid
Peak:m/z	Relative Intensity
52.09794	0.2
53.28346	0.2
56.13901	0.2
59.01386	0.4
62.82954	0.2
64.01634	0.2
67.01877	0.5
70.71555	0.5
70.71887	0.5
71.01380	0.4
71.05011	0.4
82.66991	0.3
83.01383	0.9
83.05013	0.4
85.02895	0.3
92.77156	0.3
92.99826	0.4
98.19965	0.2
99.00863	0.5
105.85036	0.2
111.00872	0.7
111.04535	0.3
113.02431	0.7
127.00372	0.7
127.03954	0.4
136.98833	0.4
155.10780	1.9
162.83862	0.6
164.83569	0.7
198.16365	0.3
198.98830	0.4
199.06050	0.6
199.17020	100.0
199.80521	0.7
200.17381	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	200.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66219	0.6
59.01377	4.8
59.04282	0.7
61.09174	0.7
61.98822	4.0
66.03496	0.7
68.27604	0.7
70.02974	2.1
71.01375	2.1
72.99292	3.6
73.17941	0.8
75.00844	0.8
82.02975	1.1
83.05005	1.0
84.04535	1.8
85.23005	0.7
87.92522	0.9
94.06658	0.7
95.05043	3.8
96.04532	0.9
98.02460	8.2
98.94888	1.5
103.92057	2.0
108.04552	2.5
110.01769	1.3
110.02472	14.6
110.06094	2.8
111.04525	1.7
112.04041	4.8
112.07710	4.4
113.06093	1.1
122.02479	0.7
123.03268	2.1
124.03998	1.9
126.05595	2.4
136.04044	3.7
138.05605	10.3
140.03476	1.0
154.05099	14.0
155.03493	2.9
156.06644	14.8
162.83907	100.0
163.83939	0.8
164.83606	90.6
165.83696	0.9
172.06049	1.5
182.02998	0.7
182.04564	17.5
189.43922	0.8
199.80493	76.2
200.05630	67.5
200.07596	0.8
200.80566	1.0
219.98293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.134
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
51.07056	0.3
52.98345	0.3
59.01366	0.6
69.34244	2.8
73.23650	0.3
73.44855	0.3
107.39318	0.3
112.47572	0.3
113.02466	0.3
162.83905	1.6
163.11325	1.0
164.83598	1.3
169.12331	5.3
181.12335	18.6
182.12651	0.6
197.11777	2.2
199.13385	100.0
199.80490	1.2
200.13750	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	199.1339
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
51.77109	0.2
52.29393	0.2
57.03435	0.6
58.70256	0.3
59.01375	0.3
69.23572	0.6
69.23991	1.9
71.05020	0.9
83.05009	0.5
85.02930	0.2
92.14664	0.2
99.00870	0.3
111.08142	0.3
125.09741	1.4
127.11279	3.2
151.78105	0.3
153.12837	1.0
155.10808	1.3
162.83949	2.0
163.11247	0.5
164.83629	1.8
169.12270	0.3
171.10255	0.4
181.12263	1.4
197.11815	1.5
199.13390	100.0
199.80461	1.8
200.13724	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	199.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.0
59.01376	3.1
64.62487	1.3
65.65900	1.1
69.37711	9.0
71.05025	9.1
73.02951	7.3
73.52879	1.1
83.01393	2.0
98.19935	2.6
99.00900	1.9
99.08153	1.9
99.29491	1.1
111.00819	1.3
113.02456	3.8
125.09704	1.3
137.09734	3.8
139.11313	10.5
141.12892	1.5
153.12859	4.3
155.10783	18.9
162.83920	11.9
163.84032	2.0
164.83606	13.3
169.12314	2.4
199.09717	4.8
199.13399	100.0
199.80458	10.4
200.13712	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
69.46803	2.6
69.47208	1.0
71.69745	0.4
83.05048	0.4
96.56087	0.4
98.20743	0.5
111.25552	0.4
137.09717	6.7
155.10777	100.0
156.10016	0.4
156.11105	2.7
157.08690	1.0
181.08788	1.3
199.09755	9.9
200.20799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.6
57.03450	2.3
59.01373	2.0
60.04105	0.6
69.03420	1.1
69.46675	3.5
71.01381	1.8
71.05020	3.7
72.99332	1.1
73.02950	5.1
83.01389	1.3
83.05022	1.6
84.02182	0.7
85.02954	2.1
95.05014	0.9
97.02959	0.6
99.00851	1.0
99.04514	1.1
99.08149	1.0
111.00880	1.7
111.04486	1.1
113.02450	5.5
121.02960	0.8
123.04504	0.6
125.02430	0.7
125.06086	1.3
125.09702	1.3
127.04015	3.4
127.11286	1.3
135.08167	1.5
136.32782	0.5
137.06085	1.1
137.09731	10.3
153.09204	1.3
155.10780	100.0
156.11121	2.2
162.83897	6.2
164.83606	5.4
171.10245	5.2
181.08736	2.4
190.54657	0.6
199.04276	0.9
199.06055	2.0
199.07802	1.2
199.09753	23.6
199.13388	10.7
199.17009	3.4
199.80484	5.4
212.86789	0.6
215.32378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0975
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
51.04623	0.5
55.01863	1.8
57.03436	2.1
58.00569	0.8
59.01373	2.7
59.63216	0.7
67.01891	1.3
69.03443	1.9
71.01382	4.9
71.05011	2.5
73.02941	7.8
74.42829	0.6
81.29141	0.7
83.01387	1.1
83.05008	1.8
84.02174	1.9
85.02953	5.1
86.03728	2.8
95.05055	1.0
97.06588	4.1
99.00883	2.6
99.04516	0.9
99.08167	1.7
101.02455	1.0
111.00835	0.8
111.08136	0.8
112.01671	0.7
112.05295	6.2
113.02449	2.9
115.07652	3.5
125.06063	0.8
125.09693	2.1
126.06898	0.8
127.00351	0.7
127.03996	1.6
127.07642	2.2
127.11252	5.4
129.01947	4.2
130.02713	34.4
137.09720	10.8
139.04004	0.8
153.09189	1.5
155.10771	100.0
156.11107	1.9
162.01630	0.8
162.83899	0.9
171.10268	5.6
181.08714	4.7
199.06165	1.0
199.09750	16.4
199.13393	7.8
199.17006	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	199.0975
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03452	0.3
58.00589	0.2
64.13810	0.2
69.31262	1.0
69.31670	0.3
71.59355	0.2
72.44489	0.2
73.02940	2.9
85.02934	0.4
85.79300	0.2
99.00878	0.2
108.70118	0.2
109.06547	0.2
127.11292	0.2
135.08157	0.9
137.09714	8.1
138.10081	0.2
155.10773	100.0
156.11113	2.7
162.83922	0.7
164.83614	0.7
169.12358	0.3
171.10258	0.5
181.08749	0.4
198.24599	0.2
199.09743	9.6
199.13376	2.3
199.17093	0.3
199.26849	0.2
199.80518	0.4
200.10115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34098	0.2
57.03458	0.3
59.01403	0.2
70.85414	0.4
71.01382	0.2
73.02946	2.9
85.02946	0.3
94.04254	0.2
98.20066	0.2
105.49259	0.2
113.02463	0.3
127.03979	0.2
127.33342	0.2
135.08173	1.3
137.09717	7.6
138.10069	0.2
155.10777	100.0
156.11095	2.5
171.10210	0.3
181.08681	0.3
199.09755	7.3
199.13417	0.5
200.10138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0973
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03451	0.7
59.01376	1.0
66.93800	0.3
67.01870	0.3
69.03461	0.5
71.01391	0.6
71.05030	1.1
71.54688	0.2
71.55099	0.3
72.99309	0.5
73.02948	3.0
81.03470	0.3
83.01395	0.3
83.05035	0.9
85.02960	1.3
95.05014	0.5
97.02962	0.4
97.06613	0.4
99.00893	0.3
99.04509	0.3
109.02978	0.3
109.06522	0.3
111.00864	0.5
111.04532	0.9
113.02429	1.7
113.76614	0.3
119.08643	0.4
121.06551	0.3
125.02430	0.3
127.00327	0.3
127.03994	0.9
135.08170	1.5
137.06096	0.5
137.09715	8.3
139.03932	0.4
153.09216	0.3
155.10771	100.0
156.11078	2.1
156.89462	0.3
162.83900	0.9
164.83603	0.9
181.08673	0.7
181.12344	0.3
193.15276	0.2
199.06128	0.8
199.09741	10.5
199.13371	2.1
199.17062	1.2
199.80472	1.2
207.75354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1546
Annotation	METHYL 10-UNDECENOATE
Peak:m/z	Relative Intensity
55.85217	0.6
57.03436	3.0
58.79965	0.7
69.38438	5.2
71.01371	0.7
80.02658	1.0
81.03458	2.0
83.05019	9.2
85.06572	0.8
85.47890	0.6
87.93254	0.6
95.05040	4.0
95.76575	0.7
97.06591	23.6
109.06595	2.3
111.08166	19.9
137.09702	1.2
147.11775	1.5
149.09659	1.3
160.84204	2.2
162.83913	6.5
163.11272	7.5
165.12839	100.0
166.13197	3.2
182.02361	0.6
197.15414	1.5
197.80797	3.0
209.11867	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	199.0975
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
57.03443	1.8
57.70942	1.3
58.00583	8.5
59.01368	4.3
60.73869	1.2
61.98826	2.2
69.03453	3.4
70.05908	5.8
70.98954	1.3
71.01379	5.3
71.05011	2.8
72.87456	1.5
73.02944	21.2
83.01379	3.0
83.04981	1.8
84.02164	2.8
85.02940	2.1
87.26945	1.4
91.43176	1.4
97.06576	2.6
98.34255	1.4
99.04542	1.6
99.08161	2.5
101.06042	2.3
109.06596	2.5
111.00880	1.9
113.02470	3.0
123.08179	3.2
125.02459	1.3
125.06058	8.4
125.09713	17.0
127.00411	1.4
127.04037	1.9
127.11285	12.1
131.50528	1.5
134.85170	1.5
135.08147	2.6
137.09703	15.5
141.09227	2.7
143.10770	3.7
151.07639	3.3
152.29706	1.3
153.09160	7.2
155.10780	16.4
162.83887	25.1
163.07632	1.4
163.83960	3.4
164.83607	22.1
171.10258	52.7
172.10680	1.7
181.08684	7.4
199.09746	100.0
199.13486	7.9
199.17017	3.2
199.80482	20.3
200.09927	2.7
215.69585	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68286	0.4
59.01371	0.9
60.55098	0.5
61.98818	0.9
62.76495	0.5
62.91218	0.6
66.80024	0.5
69.03436	1.4
71.01385	4.0
78.30013	0.5
83.05014	0.7
95.01377	0.7
98.19810	1.0
103.97649	0.8
109.02957	0.7
112.01646	0.7
112.98580	0.7
123.00864	1.7
125.02406	0.6
126.10691	0.6
126.90497	1.4
138.03311	0.8
141.09236	0.7
151.11334	0.7
153.01953	0.7
153.05553	1.0
153.09181	1.9
153.12814	3.0
160.84207	12.0
161.84273	0.8
162.83913	30.1
166.99910	1.1
169.12354	14.2
179.10757	1.7
182.02234	3.2
197.08080	2.1
197.11829	100.0
197.80789	18.0
198.12154	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
52.61320	0.4
59.01371	0.8
61.61436	0.5
64.77641	0.4
69.03454	1.3
69.17002	4.9
71.01377	1.3
83.05057	0.8
94.12458	0.4
94.86787	0.4
97.06570	0.4
98.20677	1.0
100.11356	0.5
141.09230	0.6
151.11272	0.8
153.09192	1.9
153.12830	3.5
160.84209	4.2
162.83905	11.9
166.99811	0.4
169.12329	15.7
179.10738	1.8
182.02136	0.9
197.11821	100.0
197.79097	0.8
197.80780	6.7
198.12141	2.0
212.45045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
51.20073	0.2
54.62178	0.3
57.83345	0.2
59.01367	0.8
61.01759	0.3
66.44843	0.2
69.03446	1.6
71.01379	4.8
71.54771	0.3
71.55182	0.3
71.81461	0.2
73.02957	0.2
81.03438	0.5
83.05018	1.0
89.27980	0.2
95.01378	0.3
95.05045	0.3
97.02931	0.3
97.06586	0.4
109.02971	0.5
116.70773	0.2
121.02943	0.4
123.00890	1.2
123.08163	0.4
125.09720	0.3
126.90501	0.7
135.11815	0.3
137.09749	0.4
138.03226	0.3
141.09201	0.8
151.11255	0.7
153.05612	1.7
153.09221	2.7
153.12834	4.2
159.06421	0.2
160.84189	1.3
161.84216	0.3
162.83881	3.2
166.99846	1.1
169.12332	17.6
170.12741	0.3
179.07143	0.3
179.10771	1.7
182.02206	2.4
196.98358	0.3
197.04718	1.3
197.11823	100.0
197.80719	1.8
198.12175	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	197.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
61.98823	0.2
67.13432	0.1
69.03446	1.6
69.60193	0.4
69.60606	0.4
71.01385	0.6
82.28530	0.1
83.05023	0.9
90.27644	0.1
97.06599	0.3
98.19907	0.3
103.97706	0.2
106.26959	0.1
112.98576	0.2
123.00958	0.2
123.08171	0.4
125.09719	0.4
135.11885	0.2
137.09715	0.2
141.09244	0.8
151.11313	0.7
153.05478	0.1
153.09204	1.1
153.12848	3.4
160.84254	1.2
161.09714	0.1
162.83902	3.4
165.12836	0.1
167.10696	0.3
169.12334	16.7
170.12666	0.3
179.10767	1.7
182.02220	0.3
197.11816	100.0
197.80780	1.9
198.12151	2.4
198.16255	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	197.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85979	0.1
59.01383	0.7
61.98817	0.1
69.03454	1.6
71.01391	0.3
71.32477	0.2
80.05121	0.1
81.03445	0.1
83.05023	1.0
94.09683	0.1
95.05005	0.2
97.06602	0.3
99.08161	0.2
100.97182	0.1
115.75924	0.1
117.74236	0.1
119.10187	0.1
123.08153	0.4
125.09728	0.3
129.07211	0.1
135.11754	0.2
137.09857	0.1
141.09189	0.7
151.11287	0.8
153.09222	1.3
153.12836	3.6
160.84230	1.0
161.84293	0.2
162.83902	2.6
164.68010	0.1
165.12772	0.1
167.10759	0.3
169.12331	16.1
170.12708	0.3
179.10759	1.6
182.02249	0.2
197.11816	100.0
197.80791	1.3
198.12164	2.8
198.54485	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	197.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00327	0.9
54.55125	0.3
57.75626	0.4
59.01364	1.2
60.38480	0.4
61.01792	0.4
61.98850	0.5
62.19540	0.4
64.01924	0.6
65.01451	0.5
65.03970	0.9
65.99843	2.5
67.01860	0.6
68.01402	0.6
68.99836	0.6
71.01376	5.8
72.99300	0.5
76.01917	1.2
77.00339	0.8
78.03485	2.3
83.03490	0.3
83.04976	0.4
89.01460	0.9
92.01419	0.7
92.99815	0.9
94.02981	1.2
95.01378	1.9
104.01422	2.6
104.99831	1.0
106.02964	1.1
108.02172	1.3
109.02935	2.5
116.92870	0.6
119.02518	0.4
120.00907	2.5
121.02937	0.9
122.02477	1.9
123.00871	2.4
125.01189	0.5
125.09739	0.4
126.90513	1.2
132.00879	0.9
133.01714	2.3
136.00391	0.6
137.02470	2.0
138.01920	1.9
138.03008	0.4
150.01981	5.7
151.01489	0.5
151.02663	0.5
153.00742	0.5
153.05531	1.6
153.09238	1.9
160.84204	15.8
161.84258	2.6
162.83910	40.9
163.01472	1.7
166.99820	1.2
167.01025	0.6
167.02208	2.3
168.01750	0.5
169.12354	2.0
179.01025	2.6
180.01782	4.3
182.02203	4.3
196.81088	1.1
197.02025	100.0
197.08156	1.7
197.11787	10.3
197.80786	28.3
198.02345	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	197.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.2
59.01376	0.7
61.98837	0.1
62.97816	0.1
65.11880	0.1
69.03448	1.7
69.41075	0.4
69.41496	0.2
71.01379	0.9
81.03439	0.3
83.05016	1.0
85.06605	0.1
94.69369	0.1
95.05021	0.2
97.06570	0.3
98.19859	0.2
99.08127	0.2
103.97647	0.1
111.04519	0.1
111.08201	0.1
121.02953	0.1
123.00892	0.3
123.08151	0.3
125.00579	0.1
125.02458	0.2
125.09698	0.4
126.90501	0.3
127.07665	0.1
135.11783	0.1
136.63182	0.1
137.09734	0.2
141.09198	0.8
149.09702	0.2
151.11264	0.6
153.01849	0.1
153.05559	0.1
153.09216	1.4
153.12842	4.2
154.13159	0.2
160.84210	2.5
161.84233	0.3
162.83905	6.6
165.11572	0.1
165.12779	0.5
166.99837	0.2
167.10793	0.2
169.12329	16.1
170.12747	0.5
179.10751	1.4
182.02216	0.6
196.81213	0.1
197.11816	100.0
197.80772	4.4
198.10342	0.2
198.12151	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	197.0202
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
53.74197	0.4
55.45364	0.4
59.01382	0.5
63.75782	0.4
64.01903	0.9
65.03970	1.0
71.01390	4.1
71.26593	0.4
71.54517	0.8
91.50800	0.4
92.07507	0.5
93.03427	0.8
95.01385	0.5
101.52029	0.4
109.02228	0.6
109.02950	9.6
111.04505	0.6
121.02982	1.1
122.02464	0.6
123.00899	1.3
126.90561	0.5
137.02449	16.8
138.01976	1.0
140.03564	2.6
150.01968	2.8
153.01912	0.5
153.05574	0.9
153.09227	0.9
153.12833	0.5
160.84204	4.9
161.84206	0.6
162.83910	13.7
166.01494	1.0
166.99889	1.0
167.02235	9.4
169.12331	0.7
176.45125	0.4
180.01773	14.1
182.02211	2.1
196.81024	0.8
197.02028	100.0
197.08144	1.6
197.11815	6.2
197.80795	8.7
198.02365	1.5
208.69708	0.4
212.00745	1.4
217.66171	0.4
219.06918	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1388
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
59.01378	53.6
61.98805	0.8
68.99561	1.7
71.01378	1.2
73.02963	1.1
74.19797	0.8
83.92290	0.7
85.02953	1.8
87.99171	0.8
88.13148	0.7
88.89582	0.7
96.96009	3.6
97.77718	0.7
98.20645	2.2
99.04504	0.8
101.00208	1.1
109.04870	0.8
112.98576	1.4
121.02940	2.4
123.04523	1.0
134.71942	0.8
135.06618	8.1
150.03192	1.8
151.07649	0.8
151.11269	1.1
152.91730	4.5
160.84206	59.3
165.05566	1.3
177.12833	4.4
180.04263	3.0
194.92792	1.6
195.02783	1.0
195.06660	1.5
195.13890	100.0
195.81075	28.0
196.14214	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	196.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26041	0.3
59.01390	2.5
60.01716	1.1
69.91942	0.3
71.01392	1.2
72.96646	0.3
81.02197	4.6
82.02979	0.9
82.06629	1.3
85.02947	1.0
94.02985	0.5
97.20037	0.3
101.17503	0.3
107.03787	0.4
108.04549	0.4
108.05330	0.5
110.06116	100.0
111.06466	1.4
123.00937	0.3
126.90530	0.5
127.35839	0.4
133.75067	0.3
152.03447	0.3
152.07150	1.4
152.10852	0.8
153.05502	0.3
160.84207	10.0
178.08711	0.4
181.04631	0.5
182.02202	0.7
195.81108	4.3
196.07027	0.6
196.09770	12.3
197.08144	0.5
197.09956	0.3
197.11850	1.0
211.87018	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.9278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57159	0.6
59.01377	100.0
60.01701	0.8
61.98825	6.6
66.52616	0.6
70.34222	1.5
70.34587	1.1
71.01379	2.3
73.02950	2.1
76.71821	0.7
78.95889	0.7
81.03454	0.8
83.01414	0.8
85.02940	3.4
89.02486	0.9
95.04994	0.7
96.96004	40.3
97.02985	1.0
99.04537	0.6
101.02447	1.9
103.04005	1.1
107.05067	0.7
108.02164	0.8
109.03004	1.1
110.93491	1.1
117.05614	1.0
121.02972	2.8
122.03725	1.1
123.04509	1.6
135.00900	0.8
135.04520	1.0
135.06638	17.6
136.01537	0.8
137.02422	1.1
150.03206	5.1
151.03972	0.9
151.07726	1.1
152.91759	60.0
152.94380	5.7
158.84669	1.1
160.84201	55.0
165.01939	1.6
165.04401	0.8
165.05553	4.9
167.30997	0.7
167.90456	19.3
170.92822	1.8
180.04291	8.2
194.92802	35.7
194.95464	5.7
195.02980	1.5
195.06657	5.7
195.10286	2.2
195.81075	24.1
195.93303	0.8
212.93921	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	191.0349
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
57.03437	0.6
59.01379	9.7
69.03418	0.2
71.01398	1.1
71.14090	0.4
73.02953	1.1
85.02948	3.6
87.00887	2.6
89.02471	0.5
92.02647	0.2
93.03448	0.4
95.01389	0.8
99.00854	0.4
101.02439	0.7
104.02715	0.4
108.02175	6.8
111.00888	3.5
113.02464	0.5
119.05036	0.4
120.02180	2.7
121.02928	0.2
129.01941	0.3
131.03514	0.9
147.00902	0.3
147.04507	1.1
148.00539	0.4
148.01659	5.2
176.01140	100.0
177.01489	2.5
177.13689	0.2
178.99855	0.6
191.03497	19.6
191.05569	6.8
191.07182	0.7
191.10669	0.4
192.03851	0.3
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	Unknow
Peak:m/z	Relative Intensity
52.63552	0.2
55.25067	0.2
67.16831	0.2
69.36658	2.0
69.36990	0.4
74.11018	0.2
85.61550	0.2
89.03971	4.0
93.03464	0.3
98.19933	0.6
106.04243	1.2
117.03466	7.0
121.02998	1.3
127.47794	0.2
133.02953	2.2
134.03738	100.0
135.04074	2.0
137.02440	5.8
139.04005	1.6
149.06076	11.5
150.03241	0.7
178.02704	23.4
179.03033	0.5
193.05052	21.5
194.05229	0.5
196.58264	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0196
Annotation	2-Dehydro-3-deoxy-D-glucarate
Peak:m/z	Relative Intensity
55.01868	1.7
57.03196	1.1
57.03449	14.4
59.01375	18.2
61.98815	3.1
62.92805	0.9
66.89005	1.0
67.01888	8.7
68.99815	1.1
69.03448	0.9
71.01374	27.0
71.53761	0.9
72.99297	3.8
73.02950	4.0
75.00830	0.8
76.96491	1.2
83.01385	5.8
83.05033	1.0
85.02944	48.2
87.00871	53.8
92.95988	4.8
93.03448	4.6
99.00861	11.0
99.95879	0.9
101.02441	2.6
109.02939	1.7
111.00876	82.8
111.04520	2.1
112.98806	27.0
115.00327	1.4
117.01904	1.6
124.61144	0.8
127.04006	3.6
129.01933	28.2
136.99283	0.9
137.34650	0.8
142.99823	1.2
147.02988	0.9
148.94972	17.2
154.99854	0.9
173.00897	2.0
173.04515	1.6
190.96103	1.3
191.02011	12.3
191.05592	100.0
192.05959	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0349
Annotation	Pisonin F
Peak:m/z	Relative Intensity
50.58101	0.2
57.03456	0.3
59.01380	6.0
60.68706	0.2
70.80283	0.4
71.01382	0.9
73.02945	0.7
77.03958	0.2
83.01398	0.3
83.67514	0.2
84.13611	0.2
85.02949	2.1
87.00884	2.3
89.02438	0.5
91.01875	0.2
93.03463	0.5
101.02409	0.3
104.02652	0.3
111.00896	1.9
111.82278	0.3
113.02454	0.5
117.45746	0.2
119.05032	0.9
121.02956	100.0
122.03258	1.5
131.03506	0.6
145.86284	0.3
147.04521	5.7
148.01753	0.2
163.04056	0.9
176.01105	1.7
191.01758	0.5
191.03503	10.6
191.05586	4.6
191.07146	0.4
191.10631	0.3
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
55.86515	0.1
59.01369	0.6
61.98824	2.4
69.96611	0.6
81.22807	0.2
85.68337	0.2
87.92545	0.2
102.03483	0.4
116.05072	0.5
126.10016	0.2
129.05565	0.4
141.86804	10.9
144.04543	100.0
145.04900	1.9
158.09088	0.3
159.03305	1.0
159.87854	2.6
160.03897	0.2
173.04793	0.2
187.86052	0.8
188.03505	5.1
188.07091	0.8
188.10175	0.2
189.05455	0.2
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	(2S,3R)-2,3-Dihydroxy-5-oxohexanedioate
Peak:m/z	Relative Intensity
56.89863	0.5
57.03446	9.2
59.01377	3.8
59.34785	0.5
67.01893	4.9
69.57819	3.5
71.01375	6.7
71.21703	0.5
71.54568	0.5
72.99295	0.7
73.02938	1.2
83.01385	1.2
85.02948	35.6
87.00872	45.4
88.01205	0.7
93.03455	2.6
98.20615	1.0
99.00874	2.1
101.02450	1.4
103.94901	0.6
109.02980	1.0
111.00877	100.0
112.01251	0.9
112.98804	4.1
117.01875	0.6
120.59747	0.5
127.04025	1.6
129.01939	10.1
147.03020	0.7
148.95000	1.5
154.99890	0.8
162.94847	0.9
171.02908	0.7
173.00885	2.1
173.04547	0.7
184.88420	0.5
190.94272	1.1
191.01982	12.2
191.05598	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	187.0975
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
57.03445	4.4
59.01368	0.4
69.32506	0.6
69.32907	1.4
72.26307	0.3
83.05035	0.7
95.05025	0.5
97.06588	12.7
109.25548	0.3
123.08164	6.9
125.09721	100.0
126.10052	2.0
141.86737	0.4
143.10818	2.0
150.17342	0.3
156.58992	0.3
163.33130	0.3
169.08687	2.8
187.09747	53.7
188.10104	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1339
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
50.23196	0.3
59.01364	1.1
61.59433	0.3
61.98831	0.8
66.63522	0.3
69.30157	2.5
71.01382	0.7
81.68473	0.3
83.05000	0.4
97.06541	0.6
99.00920	0.3
106.71284	0.3
111.08148	0.5
113.62646	0.3
125.09713	4.0
125.11713	0.3
141.12856	5.9
141.86816	3.9
143.07123	0.4
159.04462	0.4
159.87830	0.7
169.08653	0.4
169.12352	2.1
172.05298	0.5
185.11845	0.8
187.07703	1.5
187.09935	3.3
187.13380	100.0
187.86082	0.4
188.13719	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	185.1182
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
59.01379	1.7
59.05467	0.5
69.23288	3.6
71.01418	0.4
96.15039	0.4
98.20658	1.0
109.06592	0.7
119.11615	0.4
121.06497	0.4
127.23777	0.4
128.88170	0.4
131.43317	0.4
137.09731	0.8
139.11293	1.7
141.09177	0.6
149.09677	1.6
155.10777	13.4
156.11102	0.5
167.10768	27.6
168.11081	0.4
183.10295	1.2
185.00934	1.3
185.11818	100.0
186.12256	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	187.0975
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
55.01891	0.9
57.03447	1.6
59.01361	2.6
64.51185	0.6
66.88236	0.7
71.01383	6.6
71.54517	0.8
72.99307	9.7
73.02936	1.0
78.73524	0.7
81.35729	0.7
87.00873	1.8
87.04537	1.0
97.06587	72.5
99.00879	8.4
102.76824	0.6
105.07111	1.2
107.08652	5.2
117.01962	0.9
123.08165	28.3
125.09715	19.7
141.09174	2.9
141.86794	2.4
143.10770	2.2
147.84143	0.8
151.07639	24.2
159.04591	0.8
169.08694	9.0
172.05214	1.4
187.04018	1.8
187.07767	5.8
187.09737	100.0
188.10045	1.6
189.72002	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05998	0.4
58.00594	0.4
59.01375	4.5
59.46949	0.5
60.93348	0.4
61.98825	20.6
69.03452	0.6
70.11961	0.8
70.12354	0.7
72.99304	2.6
77.93017	0.4
78.95900	76.1
81.03478	0.6
82.25471	0.3
83.01408	0.4
85.02959	0.4
87.00876	0.5
93.00227	0.4
95.05007	0.4
96.96954	1.8
96.97532	0.4
97.02960	0.8
97.06553	1.8
103.00349	0.7
110.92598	0.4
110.98527	100.0
111.04494	1.1
112.92293	0.6
112.98785	2.5
113.02472	0.7
123.04533	2.0
130.61917	0.4
130.99850	4.1
141.05580	0.8
142.96613	0.9
148.96452	1.8
152.99557	6.7
159.01443	0.5
166.97522	1.3
167.03444	2.2
184.92705	8.4
185.02187	36.0
185.11787	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	185.022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.0
61.98829	17.3
67.42987	0.4
69.03440	0.5
69.34874	0.4
69.64781	1.6
69.65189	0.9
72.82561	0.4
72.99296	1.4
76.51928	0.4
78.95903	80.1
86.37540	0.4
86.95548	0.4
96.96970	1.7
97.02970	0.6
97.06583	1.4
98.19928	0.9
103.00347	0.5
105.36556	0.4
110.98529	100.0
111.04510	0.5
112.92308	1.0
112.98779	2.6
113.02520	0.5
121.76183	0.4
123.04561	0.7
129.85347	0.4
130.99852	5.2
142.96631	0.7
146.93446	0.8
148.93115	1.2
148.96478	1.5
152.99591	6.7
159.89084	0.5
166.97484	1.8
167.03510	0.8
177.63177	0.4
184.92703	6.1
185.02191	34.4
185.11856	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1389
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
68.13873	0.3
127.96374	0.3
138.94162	0.2
171.31357	0.3
172.11514	0.3
183.13893	100.0
184.14220	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	184.0614
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
54.89634	1.2
59.01379	43.2
61.98820	2.4
65.82173	1.2
69.03439	3.5
70.02979	1.4
71.01381	12.0
71.53876	1.4
73.02944	1.4
78.95883	2.3
84.04550	10.0
92.96728	1.2
94.02989	3.7
97.01704	3.8
97.02432	1.1
97.06593	2.1
98.02458	3.6
99.00851	1.6
103.92030	1.9
110.02445	1.8
112.00385	1.6
112.04048	100.0
113.02391	1.7
113.06072	2.3
122.06148	7.0
124.04040	67.7
125.02489	2.7
136.03976	1.3
140.06088	2.1
140.07169	35.9
140.89677	4.4
141.05533	1.6
141.09171	2.4
166.05074	6.0
166.98717	1.3
184.06131	84.9
185.06430	1.4
185.11815	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	178.9506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51151	0.3
59.01376	1.6
61.98827	0.5
66.89387	0.3
70.37911	0.6
70.38311	0.6
71.01373	1.5
73.02956	0.4
79.95726	0.3
81.36363	0.3
87.00880	1.4
89.02451	0.6
116.34029	0.3
117.01935	0.6
119.93758	0.9
134.96088	49.3
135.96143	1.7
136.94006	100.0
137.94080	3.4
151.92712	14.3
159.23041	0.3
161.04535	0.7
178.95056	78.8
179.05600	1.3
179.95160	2.3
196.95998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.056
Annotation	1L-chiro-Inositol
Peak:m/z	Relative Intensity
57.03449	3.6
58.00600	4.0
59.01380	100.0
61.98822	2.7
67.16986	1.6
69.03462	3.6
70.47832	3.6
70.48174	2.7
71.01382	86.1
72.99302	7.4
73.02961	10.9
75.00867	10.0
79.01820	1.9
80.96525	3.9
83.01362	8.4
85.02946	22.7
87.00877	87.2
89.02442	42.2
91.02218	7.6
95.01402	6.2
97.02943	8.4
99.00879	21.3
101.02439	18.6
113.02429	11.6
117.01942	16.2
119.03472	1.8
125.02438	12.1
135.04515	3.2
141.01932	9.9
159.02983	5.5
161.04556	57.7
161.05884	3.8
177.04054	1.8
179.05608	75.3
191.75392	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0975
Annotation	L-Cladinose
Peak:m/z	Relative Intensity
59.01366	3.1
69.62384	1.7
69.62791	2.5
71.01380	0.9
73.32162	0.7
83.05040	0.8
84.06474	0.7
85.02950	17.9
85.06586	16.5
87.00871	0.9
95.05031	0.9
98.19966	1.0
101.05579	0.5
101.06075	19.3
113.06085	43.4
115.00348	0.9
117.55995	0.6
127.63195	0.7
129.05577	40.4
129.09236	4.1
131.07132	25.7
157.08684	1.2
174.88936	1.6
174.94168	0.7
175.09743	100.0
176.01141	1.7
176.10120	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0192
Annotation	5,7-Dihydroxycoumarin
Peak:m/z	Relative Intensity
51.02391	0.3
56.40443	0.3
56.82959	0.3
59.01105	0.4
59.01382	5.2
65.00320	0.6
69.37959	2.3
71.01381	1.1
77.03967	8.8
80.44697	0.4
89.02459	0.4
89.03971	2.9
93.03450	2.0
95.05025	12.4
99.00894	0.4
104.24000	0.4
105.03460	37.8
106.03711	0.4
121.02965	2.0
123.04514	2.7
129.01929	0.7
132.02161	2.0
133.02956	100.0
134.03802	4.0
137.02461	1.3
139.04042	0.7
145.02950	0.4
149.02458	0.5
149.06036	0.3
162.03224	6.9
162.04582	0.4
177.01884	3.9
177.05531	2.1
177.09161	0.4
178.02666	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01722	0.4
67.01897	0.6
69.03464	0.7
69.56914	1.4
69.57321	1.3
71.17127	0.4
79.73696	0.4
83.05012	0.8
85.06589	18.8
93.03452	3.6
98.20607	1.0
103.47135	0.4
110.87443	0.4
111.08158	6.7
113.06086	19.7
131.07141	93.5
132.07436	1.3
173.08217	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0819
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
59.01378	91.3
69.95509	1.4
70.69327	0.3
77.45478	0.3
79.97168	0.3
85.06586	19.2
93.03448	2.3
98.08979	0.4
98.19868	0.4
100.33203	0.4
111.04510	0.5
111.08201	0.6
113.06089	15.2
122.31578	0.4
129.05496	0.4
131.07140	100.0
132.07484	1.4
134.52415	0.4
144.21101	0.4
173.04564	0.4
173.08154	0.8
180.60701	0.4
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	Dehydroerythorbic acid
Peak:m/z	Relative Intensity
51.50725	0.8
53.00293	1.9
55.01880	4.0
57.03437	3.2
58.02968	3.9
59.01377	18.1
60.99293	1.3
67.01890	9.1
68.99817	3.6
69.03458	1.5
70.67766	2.6
70.68142	1.0
71.01376	86.9
71.05003	1.0
72.99302	7.0
73.02940	10.1
80.99814	1.3
83.01376	13.8
83.05017	3.3
84.99329	2.1
85.02946	5.3
85.06582	3.7
86.06119	1.3
87.00871	8.6
93.02863	1.3
93.03452	25.5
96.99306	3.1
99.00868	24.4
99.04514	1.6
100.07677	6.2
101.02448	1.9
102.77805	0.8
109.79062	0.8
111.00880	21.1
111.04507	7.8
111.08129	1.1
112.98804	100.0
113.02395	1.2
113.99162	1.3
115.00362	5.5
124.27592	0.8
124.98801	15.9
128.07164	11.5
129.01939	1.6
129.05563	7.2
129.10333	0.9
130.89751	1.8
131.08279	1.6
132.06606	1.3
136.86267	5.6
137.02446	1.3
138.86028	1.5
140.98277	2.5
142.99850	63.8
144.98180	2.3
145.01414	1.0
154.94739	1.9
155.03537	2.1
158.17032	0.9
159.01495	1.0
172.83058	45.6
172.97646	2.3
172.99539	1.3
173.00888	5.9
173.04521	7.8
173.08174	1.9
173.82973	2.2
174.07706	12.1
183.74089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
58.02977	2.0
59.01395	0.5
67.01893	1.5
70.33334	1.1
70.47829	0.3
71.01397	0.7
72.99335	0.3
73.02979	0.4
82.06651	0.6
85.02979	0.3
87.07933	0.2
93.03455	5.4
93.04008	0.4
107.29932	0.3
111.04533	0.8
116.05092	0.5
128.08005	0.4
128.10809	4.2
130.08739	100.0
131.09079	1.2
144.04526	2.1
157.47031	0.3
172.04033	0.8
172.09760	19.0
173.04506	1.2
173.08183	0.3
191.43628	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	Dehydroerythorbic acid
Peak:m/z	Relative Intensity
53.00299	1.7
55.01884	4.8
57.03435	2.9
58.02955	0.9
59.01382	12.9
60.99303	0.9
61.98826	2.4
67.01889	6.9
68.99820	3.3
69.03447	1.3
71.01379	85.0
71.39178	0.9
72.38292	0.7
72.99308	7.1
73.02950	10.4
80.99826	0.9
81.03442	0.9
83.01387	14.3
83.05023	1.8
85.02954	5.2
85.06621	1.1
87.00879	8.1
92.02753	0.7
93.03451	19.2
96.99319	2.3
99.00877	24.1
99.04529	1.6
100.07699	0.9
101.02426	1.6
108.44349	0.7
111.00884	18.2
111.04533	7.1
111.08155	0.7
112.98808	100.0
113.99162	1.0
115.00365	5.6
119.00184	1.9
124.98798	13.2
127.00376	1.0
128.07213	1.1
128.53394	0.7
129.01942	3.5
129.05589	2.8
130.89749	2.0
131.08257	1.1
136.86299	2.3
137.02449	1.7
140.98335	1.5
142.99863	44.7
154.94659	0.8
155.03520	1.1
172.83058	19.6
172.87984	1.7
172.90794	0.9
172.97668	1.1
173.00914	7.0
173.04562	3.6
173.05862	0.8
173.08154	1.6
173.83136	0.8
174.07625	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	100.0
61.98824	4.3
68.99835	0.9
70.02989	0.5
71.55380	0.5
82.95409	5.0
95.01402	0.7
97.02972	1.0
107.88775	0.5
108.04580	0.8
124.04873	0.6
125.02435	7.2
125.03203	0.7
132.86816	2.2
140.03355	0.5
153.01537	1.5
168.13907	10.4
168.83604	0.6
168.98979	0.8
169.01387	3.1
169.05109	0.6
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
57.05238	0.4
61.92378	0.3
69.29426	3.7
70.41499	0.4
70.89326	0.4
76.74113	0.4
82.51022	0.4
87.92014	0.4
89.00683	0.4
99.08170	0.7
116.96183	0.5
118.35213	0.4
125.09718	2.4
127.11276	5.3
153.09219	1.1
153.10434	0.5
171.10263	100.0
172.10614	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	167.0349
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
51.02381	0.5
51.17500	0.4
52.83597	0.3
65.00317	1.6
69.42280	2.7
80.02705	1.8
83.01379	0.5
83.25327	0.4
88.11480	0.4
91.01897	7.1
95.01414	0.9
95.05045	0.8
96.29173	0.3
97.02951	0.4
97.42576	0.4
108.02173	52.1
111.00870	0.5
112.26292	0.4
121.02975	0.8
123.00857	1.8
123.04524	30.3
123.08195	0.8
124.01637	1.3
124.04812	0.8
125.02404	0.4
139.04092	0.4
141.42189	0.4
149.06079	0.5
152.01146	100.0
153.01483	1.4
166.83269	0.6
167.03488	27.8
168.03816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0714
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
51.05029	0.6
55.42161	0.5
57.03444	1.0
59.01395	1.4
61.67147	0.6
61.98841	0.9
65.00339	1.7
65.03983	1.1
66.03494	0.6
67.01907	2.0
67.44476	0.5
68.99836	2.6
69.03459	4.3
70.91282	1.4
71.01006	0.5
71.01398	2.3
72.99311	0.8
80.02665	3.2
81.03475	2.1
82.02992	1.3
82.95435	1.6
83.01400	1.3
83.05029	3.2
83.85143	0.5
84.02185	2.9
85.02971	2.6
85.06589	1.0
91.01912	2.6
93.03494	2.0
93.07119	1.5
94.77777	0.6
95.01387	35.0
95.05025	5.0
96.69332	0.5
97.02955	5.7
97.06602	5.2
98.03732	2.8
102.47477	0.5
105.07108	2.9
106.04247	1.0
107.05042	2.0
108.02174	47.8
109.03012	3.6
109.06582	6.9
110.03744	5.7
110.64045	0.6
111.00887	1.8
111.04536	1.2
111.08159	22.8
112.01667	11.1
119.05007	0.7
121.02969	3.3
121.06589	11.2
123.00887	27.5
123.04520	32.5
123.08160	6.9
124.01679	15.2
124.05442	0.6
125.02439	2.0
125.06112	1.2
132.86797	23.2
134.03764	1.5
137.02444	5.0
137.06087	1.9
138.03209	1.3
139.00366	0.9
139.04008	2.3
139.07655	40.6
141.32617	0.6
149.02457	3.5
149.06082	25.4
150.06441	0.8
152.01151	100.0
152.04700	1.5
153.01526	1.9
166.83345	5.6
166.99898	6.1
167.03491	33.0
167.07140	24.4
167.83650	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	166.9986
Annotation	2-Oxo-3-(5-oxofuran-2-ylidene)propanoate
Peak:m/z	Relative Intensity
51.02379	0.9
53.00281	0.6
55.65358	0.4
59.01382	0.7
61.98823	0.7
67.01884	2.0
68.99821	3.3
69.03454	1.5
71.01065	0.8
77.03890	0.5
79.01870	0.8
80.02682	0.6
81.03471	1.1
82.02982	0.6
82.95435	0.5
83.01395	0.6
83.05041	0.6
85.02949	0.7
91.01879	1.7
93.03464	1.2
95.01388	100.0
95.05028	2.6
96.01708	1.4
96.05289	0.4
97.02945	1.6
97.06598	1.1
105.07090	0.7
107.01351	0.5
107.05016	0.6
108.02177	15.9
109.02971	3.6
109.06572	0.8
110.03725	0.7
111.00890	0.8
111.04504	0.8
111.08150	2.3
112.01657	1.4
121.02976	2.9
121.06584	1.3
123.00887	67.9
123.04516	14.9
123.08147	1.5
124.01714	3.6
124.07668	0.5
125.02450	1.8
132.86790	12.2
137.02444	5.1
139.00362	2.1
139.03999	1.4
139.07634	5.5
149.02449	3.3
149.06046	3.1
151.00446	0.5
152.01147	36.7
166.83304	3.5
166.99866	17.2
167.03494	16.6
167.05861	0.9
167.07146	4.2
167.10670	0.6
167.83669	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	165.1285
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
57.03196	1.9
57.03457	21.4
57.22701	1.6
59.19232	1.3
67.92799	1.2
69.03440	3.5
70.67903	2.4
71.01402	1.4
71.05013	2.5
72.75502	1.6
77.03951	1.4
80.02680	4.8
81.03468	11.9
83.04568	2.7
83.05030	33.2
85.27111	1.4
93.03470	3.6
95.05045	19.6
97.06596	44.2
107.05059	2.1
107.70023	1.3
109.06605	6.2
111.08170	57.7
121.02953	31.1
123.08147	3.9
137.02441	3.3
137.09770	2.1
147.11774	3.8
149.09814	2.0
150.03230	2.2
163.11282	14.2
164.83578	10.4
165.01955	6.0
165.05589	1.9
165.12849	100.0
166.13188	3.2
166.93187	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0557
Annotation	D-(+)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
51.68463	0.5
69.33201	4.2
72.99308	31.1
91.05526	1.4
94.80308	0.4
99.75995	0.5
101.03980	1.9
103.05523	5.6
117.03529	0.6
119.05022	34.0
121.02950	3.2
147.04520	100.0
148.04875	2.3
165.05563	32.4
166.05997	1.1
174.46608	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1284
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
57.03451	22.1
59.01373	3.4
59.32866	0.6
65.99847	0.8
66.03494	0.9
69.03466	2.6
69.63363	4.7
71.01383	3.0
71.05035	4.3
72.69138	0.8
72.99322	1.1
73.02943	1.0
77.03986	3.8
78.03403	0.9
80.02678	2.3
80.05061	1.4
81.03457	2.4
83.05019	5.1
85.02943	1.4
89.02460	2.1
92.99776	0.7
93.03479	4.3
93.99371	1.0
95.05032	2.2
97.06599	7.2
101.02442	1.6
107.05035	1.4
108.04635	0.7
109.02989	1.6
109.06577	2.9
111.08161	23.9
119.05060	2.6
121.02959	100.0
122.02506	0.9
122.03319	2.9
123.00893	0.8
123.04523	1.2
125.09855	0.8
135.04488	1.3
136.05322	0.8
137.02455	12.4
137.06033	1.2
137.09741	1.6
147.04501	3.5
147.11778	1.1
149.00948	2.0
149.09732	0.7
150.03236	6.5
163.11273	4.1
164.83630	17.7
164.89706	1.9
165.01930	17.8
165.04164	1.6
165.05583	7.2
165.07690	1.9
165.09174	2.7
165.12845	96.2
166.02336	1.4
166.05060	1.0
166.13213	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	165.0192
Annotation	Piperonylic acid
Peak:m/z	Relative Intensity
53.08858	0.2
56.79323	0.3
57.03438	0.5
59.01374	2.9
61.98830	4.7
71.01372	1.5
71.01912	0.4
71.87959	0.2
72.99306	2.4
73.02960	0.3
75.00870	18.7
77.03966	4.3
79.95728	0.5
85.02952	0.6
87.00338	0.5
87.00874	9.0
89.00799	0.2
89.02431	0.7
91.07062	0.3
93.03444	0.6
93.05932	0.2
93.71176	0.2
99.00890	1.5
101.02419	0.9
105.01933	7.4
108.93787	0.2
121.02953	100.0
122.02501	0.5
122.03307	1.4
129.01942	3.0
133.94473	0.2
135.37889	0.3
137.02452	1.1
147.02957	2.2
150.03226	0.3
164.83595	3.3
164.89522	2.0
164.96400	0.4
165.01930	9.5
165.04048	15.9
166.01855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0404
Annotation	D-Ribonate
Peak:m/z	Relative Intensity
52.45842	0.7
52.91844	0.6
57.03448	3.3
59.01102	1.3
59.01379	15.5
61.98830	5.5
70.64838	1.4
70.65188	1.0
71.01376	6.1
72.99308	10.9
73.02941	1.5
74.46712	0.7
75.00871	100.0
77.03956	1.2
83.01373	0.8
85.02932	3.6
87.00875	51.0
89.02456	4.7
93.03417	1.1
95.47538	0.8
99.00887	7.6
101.02447	4.1
105.01933	33.3
108.70643	0.6
108.93695	1.7
111.00883	1.3
117.01946	1.5
119.03484	1.2
121.02958	26.5
129.01945	14.0
135.02997	0.8
137.02463	2.1
147.02983	11.1
147.76013	0.7
148.88734	0.7
150.03175	1.4
150.94801	0.9
164.83612	14.5
165.02061	3.8
165.04041	80.1
173.19727	0.6
174.57285	0.7
175.39836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1124
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
59.01384	11.9
61.98829	4.3
70.58981	2.4
70.59333	3.3
71.01389	5.0
85.02952	9.0
89.02459	2.4
91.01919	1.5
93.03505	1.7
98.20659	1.4
101.02431	11.7
116.92171	1.6
117.01537	1.5
118.99296	7.1
119.05036	55.4
120.05386	1.8
131.03471	1.9
135.00905	1.7
162.83955	1.4
163.00313	6.8
163.03984	6.6
163.06128	17.3
163.11299	100.0
164.11560	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	164.0716
Annotation	Tricaine
Peak:m/z	Relative Intensity
51.65270	0.2
54.02335	0.2
54.45016	0.2
54.59331	0.2
58.95130	0.2
59.01369	0.8
59.02748	0.2
60.01715	0.3
70.68706	0.5
71.01382	0.4
72.01708	0.2
72.99322	0.3
74.34444	0.2
74.38699	0.2
77.03957	0.3
80.05056	2.9
81.03440	0.2
85.70586	0.2
86.03287	0.4
93.03447	0.8
94.03017	0.2
101.02460	0.3
102.02777	0.3
108.02197	0.2
108.04564	0.4
108.08188	1.9
109.02935	0.3
119.05026	1.0
120.04549	1.2
120.05370	4.6
121.02956	10.7
121.05326	3.5
121.06547	0.2
123.04504	0.2
124.04031	0.4
135.03279	0.5
135.04509	0.4
136.04048	1.6
136.07675	13.5
137.02440	0.9
137.04831	2.3
137.05882	0.3
137.08093	0.3
147.04488	0.6
149.00880	0.2
149.04817	5.2
149.06029	0.3
150.01984	0.2
150.03230	0.7
150.82954	0.2
152.03551	0.6
153.04317	1.6
163.83937	0.5
164.03473	3.2
164.07164	100.0
164.83607	5.2
165.01930	1.5
165.05566	0.7
165.07542	2.4
181.03807	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	164.0717
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
54.05151	0.5
65.65881	0.5
66.21851	0.6
66.62150	0.5
70.86435	1.4
72.00906	37.1
91.05527	2.3
103.05530	6.1
119.05021	2.3
121.02977	1.3
146.06071	0.6
147.04517	100.0
148.04839	2.2
164.07156	53.7
164.83612	0.8
165.07516	1.3
180.61938	0.6
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
57.03436	0.1
59.01378	1.3
61.37581	0.1
63.16201	0.1
66.51471	0.1
69.19946	1.4
71.01380	0.5
73.02936	0.3
85.02945	1.1
91.01890	0.2
91.05521	0.4
93.03463	1.0
95.77568	0.2
101.02428	0.9
105.58455	0.1
117.03477	0.2
119.05029	100.0
120.05350	1.7
126.82226	0.1
131.03494	0.2
135.00922	0.2
135.04465	0.2
141.11620	0.1
147.04440	0.1
162.83913	1.3
163.00359	1.0
163.04013	8.3
163.06078	1.9
164.04373	0.2
181.82242	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	161.082
Annotation	D-Cymarose
Peak:m/z	Relative Intensity
57.03449	1.8
59.01373	8.3
69.03455	1.0
70.66544	1.5
70.66909	1.0
71.01386	14.8
71.05019	20.5
72.99292	1.0
73.02947	4.2
80.35127	0.7
81.03454	1.4
83.01402	2.2
85.02956	9.2
86.97697	0.7
87.00868	0.7
87.04513	14.4
89.02445	1.8
97.02944	1.2
99.04522	65.4
100.04885	0.9
101.02433	1.5
113.02447	0.8
115.04013	44.6
115.07651	9.2
116.04375	1.2
117.05582	29.0
131.03510	5.2
160.84196	0.8
161.04559	5.7
161.08199	100.0
162.08598	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	163.04
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27978	0.2
57.03445	0.4
59.01378	2.7
68.02119	0.2
69.26680	0.2
69.74715	1.0
71.01375	1.4
73.02959	0.4
79.44466	0.2
85.02945	2.4
89.02451	0.4
91.01907	0.2
91.05563	0.4
93.03446	1.3
101.02448	1.7
107.04990	0.3
110.20950	0.2
113.02479	0.2
119.05029	100.0
120.04559	0.4
120.05345	1.7
131.03462	0.3
135.00912	0.5
135.04558	0.4
147.04512	0.3
162.83916	7.3
162.89354	0.4
163.00385	1.7
163.04022	9.8
163.06097	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	5.1
59.01381	6.4
67.07330	0.6
70.29324	2.3
71.01392	1.3
72.76271	0.6
72.99318	1.3
81.15583	0.6
84.99321	3.6
93.94588	0.7
109.06590	0.9
111.08162	100.0
112.08508	2.5
112.92202	0.8
113.09711	1.1
114.62105	0.8
117.69181	0.7
127.00382	2.5
131.41328	0.6
139.07648	4.0
155.07245	1.2
157.08698	72.6
157.12344	2.1
158.09056	2.0
166.70409	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1026
Annotation	(R)-2-Hydroxycaprylic acid
Peak:m/z	Relative Intensity
54.58275	0.3
57.03436	0.5
59.01379	0.7
62.40936	0.4
62.84844	0.3
67.92577	0.3
69.54055	1.1
69.54459	1.2
71.01383	1.7
73.02938	1.8
85.02940	0.4
87.00876	1.5
91.87934	0.4
97.06587	0.5
99.00892	0.5
101.02425	0.8
111.00890	1.1
111.08182	0.5
113.02438	0.6
113.09722	18.9
114.10108	0.5
123.08156	1.0
129.01913	1.2
141.09192	2.1
157.08705	1.8
158.94102	0.4
159.02975	2.0
159.10257	100.0
160.10616	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	157.0869
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
57.03424	1.8
59.01375	18.8
63.13253	1.0
67.05536	1.8
68.99812	1.2
69.03449	2.5
69.66011	6.0
70.81009	0.9
71.01380	12.4
83.05024	1.6
84.99312	8.1
85.02964	1.5
95.04993	1.4
99.00861	2.4
109.06583	6.5
111.08157	5.5
112.92218	1.2
113.06094	2.2
113.09732	3.3
115.00397	1.9
115.80653	0.9
118.65303	0.8
121.06568	1.5
127.00361	5.7
127.07645	37.4
128.98299	1.4
139.07645	25.3
156.89418	1.9
157.08684	100.0
157.12265	5.7
158.09065	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	157.087
Annotation	Cleroindicin E
Peak:m/z	Relative Intensity
54.12965	0.3
55.01866	0.4
56.78798	0.3
57.03450	3.9
57.38927	0.3
59.01383	3.5
69.45270	1.0
69.45692	1.1
71.01376	0.6
72.99303	1.1
81.14901	0.3
83.05012	0.4
84.99310	2.1
85.02957	0.3
87.00896	0.3
93.07089	0.9
98.20598	0.7
99.00894	0.3
109.06588	0.8
111.08155	100.0
112.08484	3.2
112.92260	0.4
112.97829	0.3
113.06068	0.3
113.09712	0.7
115.00388	0.4
125.48307	0.3
127.00370	1.4
139.07642	4.6
155.07095	1.8
156.89455	0.4
157.08691	73.8
157.12154	1.5
158.06107	0.3
158.09064	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	157.0506
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
57.03423	0.4
59.01101	0.5
59.01381	6.9
61.93764	0.3
68.99807	0.4
69.03452	0.5
69.93590	1.5
71.01355	0.5
71.05023	4.8
73.02956	0.4
75.00872	1.1
79.53316	0.4
79.72095	0.4
83.05012	0.4
84.99314	2.0
85.02940	1.7
87.00887	0.7
95.05019	0.8
96.96014	1.0
98.19931	0.5
98.95628	0.4
99.00864	1.4
111.08155	1.0
113.06089	100.0
114.06417	1.6
115.00372	0.4
124.67921	0.3
127.00368	2.6
139.00383	0.3
156.89435	0.5
157.01393	0.6
157.05058	10.4
157.08694	7.0
157.12361	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	155.1078
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
55.01852	0.7
59.01376	1.3
65.46368	0.6
69.36501	1.0
69.36913	3.7
73.52971	0.5
79.57651	0.5
82.78932	0.5
83.01378	2.5
83.05048	0.8
84.18019	0.5
85.02957	0.7
86.50526	0.6
96.96031	1.0
111.00871	0.8
111.04502	1.2
111.08173	1.1
114.05602	0.9
116.77599	0.6
127.00393	0.5
137.09727	1.1
140.01118	1.4
142.49524	0.5
154.99858	0.6
155.03554	1.2
155.10774	100.0
155.86531	1.2
156.11105	4.4
166.40485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0666
Annotation	Ethadione
Peak:m/z	Relative Intensity
50.00333	0.5
55.01881	1.3
57.03444	3.1
59.01384	8.6
59.75207	0.4
61.98854	0.7
66.03487	1.2
68.01411	13.7
68.99810	0.7
69.03436	0.8
70.02978	100.0
70.28563	1.7
71.01387	1.8
71.03333	1.2
83.05030	2.2
84.00914	0.6
84.04552	0.6
84.99329	1.1
85.02959	1.9
85.06573	0.7
87.00880	0.8
94.02980	7.2
94.06635	1.1
95.05059	1.2
96.96003	3.1
99.00889	2.0
100.04100	0.6
109.02985	0.9
110.06123	1.9
112.04039	1.4
112.07685	43.7
112.92249	0.9
113.02367	0.5
113.06110	2.4
113.08028	0.8
113.09687	0.6
114.05605	27.8
125.19689	0.4
127.00350	2.4
138.05605	21.2
138.06650	1.1
139.05981	0.6
140.54895	0.4
143.43559	0.5
155.86555	0.9
156.06659	16.8
156.89438	1.3
157.05052	1.1
157.08690	3.5
157.12332	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1078
Annotation	60046-50-6
Peak:m/z	Relative Intensity
55.01854	0.6
55.70787	0.4
59.01374	0.5
60.21773	0.5
69.73208	2.9
73.02957	5.3
76.48268	0.5
83.01392	0.8
84.87798	0.5
85.02948	1.2
86.75491	0.5
111.04498	0.6
111.08124	0.5
114.05585	0.8
137.09726	3.5
140.01143	0.7
155.03528	0.9
155.10776	100.0
155.86533	0.8
156.11086	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	155.1077
Annotation	60046-50-6
Peak:m/z	Relative Intensity
55.01862	0.7
59.01363	1.8
67.01894	0.9
69.03426	0.6
73.02943	5.9
81.03458	0.9
83.01392	2.0
83.05016	1.1
85.02957	1.2
89.17654	0.6
95.01386	1.5
107.51470	0.5
109.03008	0.6
109.06564	1.2
111.00845	0.5
111.04516	1.2
111.08165	18.0
114.05601	1.6
127.00353	0.9
127.11266	1.4
137.02428	0.8
137.08754	0.7
137.09717	6.5
140.01144	1.7
155.03543	1.0
155.10773	100.0
156.11101	3.9
173.39815	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0714
Annotation	AC1OGP93
Peak:m/z	Relative Intensity
55.01874	6.0
57.03448	5.7
58.00586	10.9
58.02949	2.1
59.01376	71.6
61.98831	3.6
67.01887	7.5
68.99821	5.8
69.03444	4.8
69.83286	11.5
70.02977	3.3
71.01385	18.7
71.05013	4.3
72.02158	7.5
72.98941	1.9
72.99308	10.7
73.02934	2.9
74.02467	3.0
80.02695	2.7
81.03458	8.0
81.07076	2.0
83.01374	15.1
83.05024	25.4
84.02162	8.6
84.04542	10.7
85.02958	12.7
85.06575	3.0
86.00077	13.3
89.13150	2.3
91.05522	2.5
93.03465	4.4
95.01382	15.3
95.05027	49.5
96.96009	100.0
96.96954	3.8
97.02953	4.5
97.06599	14.8
98.02482	3.9
98.20625	3.9
99.04510	7.5
99.08158	41.1
99.08752	4.0
107.05025	88.5
108.02166	4.6
108.05368	2.1
109.02962	8.3
109.06586	11.5
111.00893	6.5
111.03382	3.4
111.03761	2.6
111.04511	22.6
111.05606	2.5
111.08167	10.2
112.01683	5.9
112.04055	5.6
112.07652	3.6
112.92308	6.2
113.02477	4.7
113.06073	19.1
114.05602	43.8
119.05051	2.8
123.00861	3.0
123.04514	4.5
125.06064	35.6
127.00375	5.8
127.04040	2.8
127.05074	2.1
127.07651	38.6
128.03571	2.4
137.02434	3.3
137.06061	10.7
140.01132	17.1
141.32509	2.1
141.34180	2.1
144.00597	2.7
154.90588	11.2
154.99886	5.2
155.02448	3.3
155.03596	15.2
155.07173	26.0
155.86609	8.7
155.90903	2.4
156.06647	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	152.0353
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
50.37085	0.2
55.10674	0.2
66.03488	2.9
66.59673	0.2
69.27372	0.5
69.27765	1.7
83.13693	0.2
105.84227	0.2
108.02164	0.5
108.04535	0.3
109.02965	1.6
110.00069	0.3
121.02917	0.9
122.03741	33.7
123.04580	3.4
124.04826	0.4
137.02022	0.6
137.99556	0.3
152.03532	100.0
153.01971	1.2
153.03876	2.3
153.05612	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0714
Annotation	AC1OGP93
Peak:m/z	Relative Intensity
55.01866	15.2
57.03450	33.5
58.00593	5.8
59.01382	23.8
67.01879	5.4
67.23883	4.0
67.99383	4.1
68.99807	5.5
69.03446	11.1
71.01386	8.8
71.55843	6.3
81.03448	4.9
83.01382	33.5
83.05024	15.3
84.00899	7.1
84.02147	5.4
84.04563	4.6
85.02941	16.4
93.03481	6.0
95.01394	19.3
95.05064	7.3
97.02931	5.5
99.04533	9.8
107.05012	7.0
109.02945	8.7
109.06582	8.1
111.00858	12.5
111.04535	12.6
111.08162	45.1
112.00439	6.0
113.02431	13.6
114.05596	17.1
125.02395	6.0
126.35101	4.0
127.00334	9.2
127.04005	7.0
137.02438	7.9
137.88847	4.5
140.01143	23.4
155.03630	28.7
155.05940	6.5
155.07143	100.0
155.86552	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	152.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03485	4.5
69.03455	0.2
70.48680	0.4
70.49045	0.5
72.19350	0.2
78.03509	1.1
81.03403	0.3
86.14661	0.2
104.01408	0.4
106.03011	0.4
107.03785	4.4
108.02187	0.9
109.02960	3.7
110.00074	0.7
121.02927	0.4
122.02422	0.8
122.03741	24.3
123.04558	6.4
124.04847	0.4
125.02438	0.4
135.04488	0.3
137.01988	0.8
137.99573	0.4
152.03528	100.0
153.01988	1.7
153.03857	3.1
153.05547	1.1
154.19717	0.2
154.89183	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0401
Annotation	Vanillin
Peak:m/z	Relative Intensity
52.85856	0.2
67.92513	0.2
71.24004	0.4
71.24352	0.3
79.01877	0.4
91.04770	0.2
92.02691	0.4
95.01399	0.9
95.50086	0.2
97.02941	0.3
108.02177	4.3
123.04520	0.4
136.01660	100.0
137.01999	2.5
151.04010	10.8
152.04350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0354
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
58.90182	0.5
59.01366	0.6
66.03484	53.3
67.03831	0.8
69.03461	0.7
80.01387	0.4
80.96503	0.6
81.03474	1.2
81.89477	0.5
85.02930	1.1
89.02444	0.7
98.22147	0.4
99.32277	0.5
108.02178	3.6
108.04556	1.4
108.05351	0.5
108.06979	0.4
109.02956	8.4
109.06590	0.6
110.00080	1.8
121.02943	1.1
122.03739	35.7
123.00953	0.7
123.04535	21.5
124.04861	1.0
125.02439	1.8
135.04520	1.2
136.01642	1.0
137.01988	5.4
137.99570	2.0
151.00359	0.6
152.03523	100.0
152.07079	5.0
153.01942	5.6
153.03848	1.8
153.05554	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	149.0455
Annotation	L-xylulose
Peak:m/z	Relative Intensity
59.01383	7.7
69.03444	2.6
69.63894	3.1
69.64308	3.4
71.01379	36.7
72.99310	2.5
73.02941	19.1
75.00868	2.1
77.03983	1.2
78.91881	3.4
79.95737	4.8
83.04889	1.1
85.02930	1.3
87.00878	15.1
89.02441	100.0
93.03438	3.2
94.95712	8.9
94.99290	1.9
95.05007	1.3
98.19842	1.2
101.02420	2.5
103.04010	8.8
114.26904	1.1
121.02967	20.6
122.03197	1.3
131.03516	9.8
133.01593	1.3
148.86353	8.3
148.93134	2.1
148.95247	16.7
149.01234	1.8
149.02509	15.1
149.04544	53.1
149.05904	2.1
150.00226	1.1
150.02852	1.2
152.73274	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0456
Annotation	DL-Xylose
Peak:m/z	Relative Intensity
55.01877	1.3
59.01382	15.1
69.03458	3.0
71.01380	36.9
71.52938	2.4
72.99306	2.5
73.02953	22.0
75.00866	3.1
78.27778	1.1
78.91865	2.4
79.95736	7.5
83.42129	1.2
85.02949	4.0
87.00880	13.4
89.02446	100.0
93.03463	3.1
94.95722	14.7
101.02462	1.9
103.04004	9.3
121.02966	23.8
123.58005	1.2
131.03502	17.2
133.01567	1.8
133.86998	1.2
134.03763	1.5
139.04005	1.9
148.86372	12.4
148.93184	3.3
148.95270	24.2
149.02557	15.2
149.04552	56.6
149.07072	1.7
150.03082	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	151.0036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02895	0.7
51.02376	1.6
53.00291	1.0
55.01888	1.2
58.90917	0.6
59.01367	3.0
63.32609	0.7
65.00312	1.7
66.03486	11.7
67.01890	17.3
68.99805	3.0
69.03458	10.3
69.78992	2.6
71.01389	6.8
73.02943	1.4
79.01891	6.9
80.02674	1.3
81.03454	19.9
82.23995	0.6
85.02931	0.8
89.02458	3.2
93.03472	1.1
94.35081	0.7
95.01386	55.2
95.04993	0.7
96.01719	1.6
97.02948	5.3
101.02440	4.2
107.01389	52.9
107.05032	4.8
108.02208	13.1
108.04543	1.1
109.02946	1.0
121.02979	2.8
122.03726	3.5
123.00883	100.0
123.04514	18.0
124.01202	2.1
125.02448	48.9
126.02786	1.5
136.01660	70.0
137.01968	1.7
151.00381	18.7
151.04001	33.3
151.06059	2.1
151.07573	1.8
152.01164	7.8
152.07161	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0144
Annotation	Methyloxaloacetate
Peak:m/z	Relative Intensity
57.03442	9.1
58.98999	4.6
59.01365	8.1
71.01366	8.1
71.53163	8.3
72.30124	4.8
73.02944	6.3
82.89088	5.0
87.00861	7.2
92.13741	5.4
101.02441	47.5
110.76031	5.0
127.00389	7.3
139.77798	5.0
144.95459	7.5
144.96484	100.0
145.01369	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	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
69.42680	1.9
69.43104	2.8
71.01384	0.6
83.05040	1.2
97.06602	1.9
98.19884	0.8
99.08157	100.0
100.08488	3.6
111.44128	0.7
127.07657	1.4
143.07120	1.4
145.04922	4.7
145.08705	58.5
146.02501	1.0
146.09048	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	145.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77951	0.9
58.67315	0.9
59.12756	0.9
71.14507	2.2
72.79507	0.8
73.02930	0.9
87.71722	0.8
97.06568	1.5
99.08154	100.0
100.08508	2.7
105.67507	1.0
126.50917	1.0
127.07690	1.4
145.04903	1.2
145.08701	50.6
146.02432	1.4
146.09064	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0663
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
57.03449	26.9
59.01381	17.6
64.66242	1.7
71.01396	12.9
71.05008	11.4
71.11677	3.1
72.52325	1.7
72.99312	3.8
73.02938	13.8
75.00870	6.3
83.05025	6.7
85.02949	91.8
87.00872	28.3
89.75253	1.9
92.95998	11.9
99.00880	4.2
99.04494	2.2
101.02441	49.6
101.06080	26.4
103.04005	20.7
119.58704	2.3
129.01984	9.4
136.36807	2.0
146.86679	24.0
146.93341	2.5
147.03009	8.8
147.06636	100.0
148.06990	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	144.1032
Annotation	Butyrobetaine
Peak:m/z	Relative Intensity
55.93223	0.8
57.03433	1.3
58.02970	2.5
59.01381	1.6
70.33527	2.7
70.33881	0.9
71.01392	4.3
71.05022	2.8
72.99319	1.9
73.02947	2.3
83.01385	1.5
83.05027	2.1
85.02917	0.9
87.00883	2.8
99.00898	1.6
100.07697	4.9
101.02448	5.6
101.03000	0.9
101.06087	1.0
102.05608	7.0
115.00374	3.7
115.04008	2.6
125.99139	1.0
126.05588	1.2
127.00376	1.4
127.05104	1.1
143.86504	1.0
144.04546	9.3
144.06670	5.8
144.10306	49.6
144.86964	14.2
144.96477	100.0
145.01447	2.2
145.02971	1.2
145.04071	1.4
145.05153	1.9
145.10649	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	145.0143
Annotation	2-Oxoglutarate
Peak:m/z	Relative Intensity
51.83355	5.6
57.03429	24.0
59.01374	12.9
69.45733	48.6
71.01380	39.1
71.05014	12.0
73.02933	18.7
74.02443	10.5
74.43369	6.4
76.27459	6.2
83.01358	6.7
83.07852	6.3
84.04542	10.5
87.00864	17.5
99.00864	7.7
101.02452	100.0
102.05601	19.3
109.04055	6.5
115.00346	29.6
127.00371	10.8
127.05113	21.3
128.03542	11.5
141.53258	6.3
144.86967	18.2
145.01453	32.3
145.05049	7.2
145.06158	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	145.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58241	0.6
57.03444	1.7
68.52480	0.6
70.33484	2.7
71.01399	1.7
73.02939	3.4
77.58626	0.6
78.13860	0.7
87.00893	1.9
99.00926	0.7
101.02448	10.2
102.05621	0.8
108.25142	0.7
115.00410	0.9
128.03479	0.9
144.86987	3.8
144.96477	100.0
145.01463	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	143.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53176	3.2
57.03444	14.0
59.01374	9.7
61.98829	6.4
64.11852	3.3
65.27588	3.7
69.03454	17.4
71.01373	57.9
71.05014	12.1
72.99342	3.8
73.02946	6.9
81.03465	11.8
83.05021	19.4
83.92848	4.1
85.02952	37.5
87.00906	4.8
87.04497	6.8
93.62330	3.9
95.01342	3.8
97.02965	10.3
97.06598	27.4
99.00880	4.6
99.04507	19.2
99.08157	100.0
102.21264	3.3
113.02449	10.1
124.98826	3.4
125.02460	17.7
125.06088	33.9
126.02718	4.1
140.57237	3.4
142.99834	7.2
143.03540	20.2
143.07152	47.5
143.10794	18.0
144.04572	56.2
144.06682	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	143.0714
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
55.01865	2.0
57.03442	6.1
59.01369	2.6
61.98830	2.9
69.03456	5.5
69.84161	4.3
69.84575	4.9
71.01381	23.4
71.05018	4.0
72.99303	54.7
73.02934	2.1
81.03440	3.0
84.02184	2.2
85.02952	15.0
87.00873	4.6
87.04517	4.3
97.02931	3.5
97.05972	2.9
97.06590	48.9
98.06853	1.7
98.19899	3.4
99.04520	3.4
99.08147	2.4
108.33480	1.7
113.02425	3.2
113.09793	1.9
125.02446	7.1
125.06081	100.0
126.06385	3.1
142.99875	2.3
143.03496	10.1
143.07130	35.7
143.10754	6.5
144.04558	13.3
144.06633	5.4
146.69946	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	12.7
53.72823	4.2
55.01875	5.3
57.03444	7.8
59.01377	35.3
68.99809	5.3
69.03444	10.1
71.01383	88.8
71.54530	7.4
72.45121	4.4
77.22256	4.4
81.03477	4.6
83.01403	20.4
83.22014	4.2
85.02934	20.9
87.00883	17.2
87.04482	3.9
91.48374	5.3
96.99299	17.1
97.02962	9.0
99.00904	5.8
99.04467	4.0
106.40592	4.4
106.88966	4.1
112.98820	27.1
115.00338	12.3
124.98797	49.4
125.02438	12.7
140.98325	11.5
142.99864	100.0
143.03528	15.4
143.10773	13.3
144.04544	12.8
144.10295	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	15.6
55.01875	4.7
57.03440	4.2
59.01378	19.5
67.01880	10.8
68.99809	4.7
69.03454	7.2
70.69025	7.2
70.69354	5.0
71.01008	5.0
71.01382	78.1
72.99303	3.9
79.74616	2.9
81.03431	4.1
83.01381	12.3
85.02954	20.6
87.00858	12.1
96.99295	16.7
97.02930	7.4
99.04511	10.9
100.07719	3.8
100.33675	3.1
102.05598	8.0
109.86678	3.2
111.00885	25.3
112.98811	27.8
115.00391	5.0
115.03976	6.1
124.98805	48.0
125.02418	14.0
140.98274	12.7
142.99860	100.0
143.03494	11.0
144.00108	6.3
144.06715	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	143.0714
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
51.25920	4.4
52.54319	4.9
55.01880	5.9
57.03444	17.7
59.01376	15.1
61.98811	5.7
69.03447	19.8
71.01376	73.6
71.05006	17.5
72.99331	4.7
73.02945	9.4
81.03451	21.3
83.01386	8.1
83.05013	20.2
85.02950	53.1
87.00872	10.1
87.04510	15.5
97.02937	12.4
97.06586	28.8
99.00893	7.7
99.04526	19.6
99.08158	100.0
113.02427	12.9
115.04008	5.4
125.02419	21.8
125.06081	34.0
143.03520	29.4
143.04465	5.0
143.07147	53.9
143.10774	23.0
144.04544	83.3
144.06653	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	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
69.40301	0.8
69.40728	2.4
72.16349	0.5
108.02173	53.1
109.02516	1.9
138.01970	100.0
139.02307	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	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01870	0.7
67.16243	0.5
71.20544	0.8
72.60180	0.7
83.01420	0.7
85.49773	0.5
94.03795	1.3
108.02174	47.2
109.02502	2.2
111.00874	2.2
123.03263	0.7
138.01965	100.0
139.00359	1.6
139.02336	4.6
139.03938	1.3
150.31430	0.5
155.63161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0561
Annotation	Myrothenone B
Peak:m/z	Relative Intensity
54.30648	0.8
55.01878	1.0
55.21584	0.9
66.03491	1.1
67.01878	1.6
68.99790	0.9
70.85696	1.9
72.71468	0.8
79.95766	1.3
83.01387	2.2
83.05057	0.8
93.03448	2.3
94.02974	1.7
94.03790	6.7
94.98083	1.5
95.01401	1.0
95.05025	4.4
108.02173	6.4
110.02504	1.0
110.03311	0.9
111.00874	9.2
111.04543	1.2
121.02926	0.9
123.03263	78.4
124.01659	1.1
124.03584	2.6
135.35085	0.9
137.89183	1.7
137.98688	0.9
138.01949	15.6
138.02818	7.1
138.05602	100.0
138.86026	2.7
139.00351	5.8
139.03996	3.4
139.05931	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	133.0144
Annotation	Malic acid
Peak:m/z	Relative Intensity
54.78316	0.9
69.90733	3.7
71.01385	64.8
72.99312	14.3
74.98573	1.0
87.00872	3.6
89.02451	8.1
89.68512	1.0
91.51710	0.9
106.83839	1.0
109.60425	1.0
115.00374	100.0
116.00679	2.5
132.86794	2.2
133.00458	1.5
133.01431	27.7
133.05042	2.2
134.04695	4.7
136.58832	1.0
152.92950	0.9
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	4-Methylbenzoate
Peak:m/z	Relative Intensity
50.05096	1.8
52.49577	1.7
59.01371	3.7
69.58867	1.8
69.90117	6.8
71.01369	6.4
73.02937	5.4
80.17195	1.7
81.03460	3.4
85.02962	21.4
89.02423	1.9
92.02524	2.1
93.03461	6.7
101.02413	3.0
103.04031	2.7
106.04292	4.2
107.03627	6.2
107.05020	5.4
108.02142	2.4
109.38039	1.8
134.03705	70.6
134.04716	28.1
134.86552	13.2
134.89470	24.8
135.04520	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	134.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89531	0.2
65.01434	0.8
70.57786	0.2
70.58122	0.7
92.02029	0.2
92.02543	6.6
107.03635	27.0
108.03980	0.5
114.02515	0.2
134.04726	100.0
135.05193	2.3
152.36128	0.3
153.70929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0166
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
57.22107	1.4
66.73236	1.3
69.23056	1.2
69.40087	8.4
69.40496	3.8
70.67174	1.3
72.98946	1.4
92.05071	3.9
93.03458	22.9
95.01392	12.3
108.02174	81.9
109.02409	2.1
109.03025	2.6
126.90218	1.4
135.89539	2.2
135.95372	1.6
136.01663	100.0
136.04910	7.6
136.09695	1.4
136.86313	5.5
136.89159	5.4
137.02475	31.6
137.06085	4.0
139.18781	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	137.0972
Annotation	Crocusatin E
Peak:m/z	Relative Intensity
65.03931	1.3
67.01903	1.8
70.48280	1.3
71.56179	1.4
81.03452	3.5
93.03455	88.9
94.02923	1.4
94.03778	3.9
94.04280	3.5
95.04977	1.4
99.92554	1.9
103.41208	1.3
106.04225	2.2
108.02167	13.8
109.02967	6.9
109.06635	1.6
119.05029	4.8
120.05826	3.7
135.08165	35.1
136.01709	6.6
136.08493	2.6
136.86292	20.8
136.89169	18.2
137.02444	100.0
137.06078	15.3
137.09721	49.0
138.01953	20.8
138.02867	3.0
138.05571	2.0
138.10089	3.3
142.59206	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0714
Annotation	(S)-(-)-2-Hydroxyisocaproic acid 
Peak:m/z	Relative Intensity
62.83994	0.9
69.03452	6.3
69.97593	3.6
85.06588	100.0
86.06947	3.3
113.06102	3.9
121.65524	0.9
129.05589	1.5
131.07141	72.0
132.07480	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	131.0714
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
54.85731	0.9
69.87191	1.9
69.87600	2.8
71.91072	1.0
73.02951	1.3
83.05006	1.0
85.02939	1.1
85.06583	100.0
86.06916	3.2
91.18681	1.0
92.35479	0.9
113.06062	1.6
129.05560	1.2
131.07132	59.9
132.07475	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	131.0714
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
57.82211	0.9
69.03456	4.3
71.11218	2.0
73.02969	1.3
85.03006	1.1
85.06588	100.0
86.06915	4.0
96.47131	1.0
113.06107	2.0
129.57961	1.1
131.07137	58.6
132.07449	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	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19088	1.1
57.03416	1.1
59.01354	1.9
69.28019	1.2
70.57780	2.5
71.01379	64.5
72.99304	15.6
87.00869	4.2
89.02445	6.8
92.02564	1.8
107.03620	9.0
109.64391	1.1
110.46978	1.0
115.00370	100.0
116.00735	2.7
121.50493	0.9
132.86809	21.9
132.88637	49.7
133.01422	27.6
133.05067	5.0
133.88666	3.4
134.04724	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.1
68.71272	1.5
69.03452	24.3
71.54859	1.8
79.01894	2.8
81.03452	7.3
83.01378	4.7
95.01379	2.6
96.99315	2.6
97.02951	18.6
97.06573	1.4
107.01400	1.5
124.01684	1.6
124.98808	1.7
125.02450	100.0
125.06090	7.8
126.02818	4.7
126.77905	1.2
143.17140	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	129.0194
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01864	15.7
57.03443	53.6
62.55145	3.7
67.01890	100.0
68.99798	4.8
71.01381	7.8
71.22720	8.6
80.21956	4.4
83.01392	8.1
85.02950	21.2
85.32124	3.5
88.04043	21.1
102.93197	3.9
115.81598	3.7
119.12106	3.7
128.89212	17.1
128.90045	4.3
129.01970	18.9
129.05592	5.8
130.08682	6.2
149.36116	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0559
Annotation	(3R)-3-Methyl-2-oxopentanoic acid
Peak:m/z	Relative Intensity
57.03437	9.9
57.49583	2.0
58.49345	2.2
59.01368	3.0
62.98802	2.3
70.00428	8.0
81.03468	2.2
83.05027	16.8
85.02946	5.0
85.06590	100.0
91.62136	2.3
93.70444	2.2
108.07720	2.1
111.04523	28.1
128.90144	9.5
129.01918	4.2
129.05583	56.3
130.08725	5.3
132.19313	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	130.0875
Annotation	Isoleucine
Peak:m/z	Relative Intensity
69.96889	1.2
69.97311	2.2
73.02947	1.6
76.55656	0.7
85.02946	2.3
87.04491	1.3
88.04041	0.9
98.19964	0.8
104.60536	0.8
115.64970	0.7
130.08737	100.0
131.09079	4.5
148.27689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0295
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
60.68929	0.2
62.18108	0.2
70.34717	1.0
78.42159	0.3
79.66109	0.3
80.14248	0.3
81.28793	0.2
91.01881	0.5
92.02707	0.3
93.03462	1.7
95.01354	0.4
108.02172	2.0
120.02200	0.4
121.02949	100.0
122.02427	0.5
122.03273	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	1173.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
96.96965	4.1
134.98508	0.3
150.98013	0.9
152.99586	66.9
153.99913	0.4
171.00645	11.8
172.00964	0.2
227.03284	3.0
245.04301	33.9
246.04678	0.8
253.21722	16.5
254.22089	0.6
389.20963	0.3
481.25702	100.0
482.26050	5.7
557.02777	0.2
845.18469	0.8
863.20227	0.3
945.39905	0.4
1064.24158	0.2
1173.44556	49.5
1174.44922	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	1193.5952
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01384	4.7
85.02460	0.7
85.02952	13.9
85.11698	0.5
86.03269	0.5
87.00887	4.1
88.69185	0.4
89.02442	14.8
94.24512	0.5
95.01376	3.9
96.96004	1.2
97.02953	7.2
97.06565	0.8
99.00877	3.5
101.02440	26.0
109.06609	0.6
111.00893	0.7
111.04490	0.5
111.08157	3.1
113.02445	23.5
113.52232	0.5
115.02631	0.6
119.03487	6.3
123.08106	0.6
125.02445	4.6
125.09711	1.2
131.03490	1.2
135.08183	0.6
137.09715	1.7
141.01788	0.5
143.03497	3.8
149.04497	1.4
153.12784	0.8
159.02892	0.9
161.04549	9.8
163.11249	1.9
165.12843	4.6
169.12285	1.1
171.10254	4.1
179.05605	6.0
179.14360	0.6
181.12300	1.1
183.13976	0.8
193.12343	1.0
193.15948	0.8
197.11819	11.7
207.10323	0.6
209.11894	2.5
211.13429	2.8
221.06613	1.5
221.11650	0.6
227.07198	1.0
227.12901	2.8
235.08224	4.0
237.14589	0.5
247.20691	3.2
253.09193	1.5
255.02972	0.8
263.07663	0.6
263.20242	0.6
273.18790	1.3
287.07733	1.6
291.19650	27.9
292.19992	2.0
305.08704	1.6
309.20691	100.0
310.21057	5.3
311.42471	0.5
323.09863	0.5
369.13358	1.2
381.09836	0.7
381.22812	35.0
382.23114	2.8
397.13486	54.4
398.13770	2.8
399.23859	32.4
400.24191	2.2
415.14560	47.5
416.14862	2.2
441.24908	65.7
442.25204	5.0
527.28351	0.6
609.26898	0.5
654.84686	0.5
689.33557	1.9
707.34888	26.3
708.35022	2.8
1154.28870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1169.495
Annotation	Unknow
Peak:m/z	Relative Intensity
96.96958	3.5
97.83845	0.1
106.19258	0.1
119.86442	0.1
134.98503	0.1
150.98022	0.9
152.99585	54.7
153.99945	0.5
163.81537	0.1
171.00639	11.0
172.01027	0.1
200.52318	0.1
227.03247	3.3
229.15193	0.1
230.22559	0.1
245.04300	40.9
246.04581	0.7
253.21716	19.6
254.22055	1.0
389.21042	0.2
407.22104	0.1
478.29343	0.2
479.29596	0.2
481.25684	100.0
482.26028	6.6
574.73047	0.1
614.19739	0.4
646.19348	0.1
841.23712	0.5
915.26978	0.1
941.45074	0.3
1095.45557	0.1
1169.49487	17.9
1170.49854	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	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
52.15028	0.5
55.01857	0.5
70.38144	1.5
71.01380	1.0
72.37306	0.4
73.02943	100.0
74.03268	2.2
76.02576	0.4
99.00872	8.4
100.13666	0.5
116.92879	0.7
117.01940	16.7
118.02264	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31981	0.4
57.74837	0.4
59.01387	0.7
65.94910	0.4
70.33144	0.9
70.33511	0.8
71.05029	0.4
73.02946	100.0
74.03288	1.8
79.19202	0.4
99.00878	9.3
116.92883	2.5
116.93619	0.4
117.01942	17.1
118.02286	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.6122
Annotation	Unknow
Peak:m/z	Relative Intensity
81.60689	0.1
83.01382	0.1
83.05012	0.1
90.86740	0.1
93.69550	0.1
98.20643	0.2
101.02432	0.2
107.01418	0.1
109.49676	0.1
113.02438	0.1
123.59274	0.1
132.02193	0.1
144.29736	0.1
151.00339	0.3
161.00424	0.1
183.04489	0.1
199.03969	0.1
200.04776	0.1
211.03897	0.1
225.16028	0.1
227.03468	0.2
255.02971	47.6
256.03412	2.2
267.02844	0.1
268.03775	0.7
269.04529	2.7
270.04947	0.1
281.04599	0.4
283.02460	34.1
284.03177	7.6
285.03976	2.1
297.04016	7.7
298.04794	13.0
299.05569	7.8
299.09186	0.1
300.05878	0.3
313.03525	3.2
313.07211	0.2
314.04028	0.1
326.04260	0.1
327.05191	0.3
341.06766	0.5
356.05359	0.1
371.07523	0.1
399.07275	0.1
431.10004	0.1
445.07965	0.1
446.08511	24.4
447.08835	1.5
461.10852	100.0
462.11209	6.5
677.49597	0.8
678.50092	0.5
679.50201	0.5
680.50568	0.4
681.50281	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0765
Annotation	dimethyl ethyl acetic acid
Peak:m/z	Relative Intensity
51.47699	1.6
64.38606	1.5
65.17574	1.5
69.57159	11.8
70.03017	1.7
71.01382	5.2
71.05036	2.7
91.78514	1.5
95.81469	1.7
96.48801	1.6
97.93121	2.1
98.19904	3.5
114.93410	11.1
115.04029	3.5
115.07651	100.0
116.02577	1.9
116.07185	4.0
116.07959	3.6
129.77110	1.7
134.64218	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	1135.7115
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05064	0.2
81.03452	3.2
83.00999	0.1
83.01382	4.6
83.05022	7.5
85.02943	1.6
87.00873	0.3
89.02442	1.7
89.53880	0.1
95.01385	0.5
96.95998	0.1
97.02956	0.3
97.04217	0.1
97.79742	0.1
99.00870	0.2
101.02438	12.2
102.02789	0.1
107.06158	0.1
108.04550	0.3
113.02447	5.1
119.03496	1.3
125.02440	0.6
125.07181	0.5
126.05624	0.2
131.03508	1.4
143.03499	1.4
143.08244	0.3
149.04547	2.9
155.03520	0.4
157.13416	0.1
161.04546	5.0
203.05605	0.7
207.15036	0.7
215.63231	0.1
221.06645	1.9
224.17677	1.5
225.16066	9.8
226.16341	0.3
242.18680	0.4
250.15402	0.1
266.18912	0.1
290.22363	0.2
291.20889	0.1
309.21817	0.6
324.26517	0.3
333.22897	0.6
339.27759	0.1
341.29196	0.6
350.24512	0.2
351.24048	0.2
361.76941	0.1
367.27066	1.5
371.20743	0.2
385.28070	0.2
407.33725	0.2
413.21765	0.8
433.31876	1.2
450.34451	1.1
451.32867	8.0
452.33215	0.6
457.18201	0.1
461.10846	0.2
468.35480	0.2
476.32635	0.2
501.85382	0.1
517.37836	0.1
535.38800	0.2
550.43262	1.1
551.43298	0.1
559.39734	0.4
565.44586	0.3
567.45569	0.1
577.40576	0.1
593.43805	0.8
594.44916	0.1
638.50885	0.1
643.44818	0.1
659.48566	2.7
660.49054	0.3
677.49615	100.0
678.49945	11.8
679.50415	0.1
841.23383	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	1139.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95903	55.1
84.99667	0.3
96.95998	0.9
96.96959	4.0
133.99702	0.4
150.98021	0.6
152.99585	61.7
153.99973	0.6
171.00648	14.4
171.02156	0.7
227.03273	2.6
245.04305	59.2
246.04724	1.1
246.28027	0.3
253.21719	28.4
254.21999	0.9
261.46991	0.3
287.46619	0.3
481.25708	100.0
482.26001	5.6
750.00348	0.4
811.23578	0.7
911.44745	0.6
1139.48389	29.4
1140.48657	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	113.0609
Annotation	epsilon-Caprolactone
Peak:m/z	Relative Intensity
51.24556	0.5
55.01878	2.1
57.03448	8.7
58.37185	0.6
59.11688	0.5
68.99571	100.0
69.03458	2.4
69.99909	1.1
71.01382	1.5
71.54909	0.8
83.01379	0.9
84.02175	3.8
85.02951	24.4
86.03274	0.9
95.01407	1.0
95.95187	0.5
100.57887	0.6
101.20260	0.5
112.98566	4.0
113.02447	9.0
113.06087	18.6
114.01975	0.7
114.02832	0.6
114.05606	3.6
114.06367	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1130.6607
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	100.0
84.48223	0.2
91.68459	0.2
96.96008	0.8
96.96959	6.9
140.01192	0.3
150.97990	0.4
152.99577	21.4
153.99924	0.4
171.00630	20.0
172.00978	0.2
187.14836	0.2
208.40565	0.2
211.13484	0.2
214.04794	0.5
277.21765	0.2
279.23227	0.9
295.22693	1.3
296.23138	0.3
384.22900	0.2
402.24194	3.5
476.27795	97.5
477.28149	7.0
690.51233	0.3
925.27039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.7338
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95874	1.3
80.96527	0.5
81.03452	0.5
85.02919	0.6
89.02431	0.8
96.95975	1.2
97.02932	1.3
97.06573	0.4
101.02408	1.4
111.08121	1.3
113.02388	0.8
113.09683	1.7
135.25322	0.5
137.09727	0.7
144.89087	0.4
161.04500	1.5
165.12819	1.5
169.12285	1.0
171.10258	3.8
177.12828	0.9
179.05653	0.6
179.14343	1.5
179.31795	0.4
181.12305	0.9
183.13817	0.6
185.11826	0.6
192.00975	0.4
195.13901	14.7
197.11833	7.9
199.13414	0.6
209.11792	0.9
211.13356	2.4
227.12845	1.6
229.19682	0.4
232.46411	0.4
235.08179	1.9
247.20564	1.3
253.09276	13.3
254.09569	0.5
257.48337	0.5
265.14890	0.5
266.73959	0.4
273.18530	0.7
277.21704	15.7
278.21915	0.8
287.68796	0.5
291.19662	18.5
292.19946	0.6
293.21274	3.0
295.22778	100.0
296.23096	4.1
309.20718	56.9
310.21051	2.0
325.20184	1.6
527.28564	2.1
545.29669	5.8
601.40857	3.0
613.43915	0.6
837.50562	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0609
Annotation	epsilon-Caprolactone
Peak:m/z	Relative Intensity
52.51085	1.5
55.01871	3.7
57.03455	12.7
66.50107	1.5
68.99570	100.0
69.03455	4.0
69.28304	5.8
69.28729	5.5
71.01392	1.8
82.45298	1.3
84.02166	4.5
84.57327	1.4
85.02949	31.0
112.98569	3.3
113.02460	13.2
113.06090	20.8
114.05595	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	113.0609
Annotation	2,3-HEXANEDIONE
Peak:m/z	Relative Intensity
50.73011	0.9
55.01872	4.4
57.03444	19.7
67.01862	1.4
68.99567	100.0
69.03448	9.7
70.80741	2.5
71.01375	4.0
71.02488	1.3
72.00893	2.2
72.99324	1.7
83.01390	3.1
84.02161	8.3
85.02948	53.2
86.02464	2.0
96.00919	1.3
111.99620	1.0
112.98595	4.1
113.02431	23.9
113.03578	1.5
113.06077	9.6
114.01997	2.1
114.02773	1.6
114.05635	6.9
124.65722	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	113.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
55.50904	0.7
57.03451	4.6
68.99570	100.0
69.03450	0.9
69.51515	4.5
71.01370	0.8
84.02162	1.2
85.02947	12.3
112.98572	3.1
113.02448	4.4
114.05589	1.5
130.10931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.5999
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02697	0.2
81.03468	0.4
83.01395	0.5
83.05037	0.6
85.02941	1.6
87.00880	0.8
89.02448	3.6
89.58697	0.2
91.04022	0.2
93.07082	0.3
95.01391	0.6
95.05038	0.4
97.02945	2.6
97.06588	0.4
99.00890	0.4
101.02441	5.7
107.04985	0.2
109.06606	0.4
111.08163	6.8
113.02451	3.1
119.03499	1.5
123.04484	0.2
125.02432	0.2
125.06088	0.2
125.09724	0.9
127.07634	0.4
129.01918	0.2
131.03513	0.4
137.09715	0.9
141.09227	0.3
142.58884	0.1
143.03438	0.8
151.11295	0.6
153.09222	0.3
153.12872	1.1
161.04575	3.4
161.09764	0.2
162.10484	0.2
163.11299	1.1
165.12840	2.8
167.10770	0.3
167.14331	0.2
169.12349	3.6
171.10271	2.7
175.11250	0.3
177.12804	0.2
179.05606	1.3
179.10805	0.3
179.14424	0.3
181.12352	1.4
183.13875	0.8
185.11861	0.3
191.14413	0.2
193.12288	0.7
193.15991	0.8
197.11824	41.7
198.12215	0.9
199.13370	3.2
207.10260	0.2
209.11862	1.5
211.13390	6.7
217.15997	0.3
221.11778	0.2
223.13408	0.4
225.11317	0.2
227.12875	3.1
229.19611	0.2
230.11678	0.2
235.08250	0.5
235.16841	0.2
247.17102	0.2
247.17911	0.2
247.20654	2.5
253.09282	47.1
254.09578	0.9
261.05383	0.2
263.20132	2.4
265.18039	1.4
273.18619	1.7
291.19656	33.9
292.19952	1.2
309.20700	100.0
310.20999	3.3
433.20859	2.2
462.80661	0.2
466.20471	0.4
527.28619	1.3
545.29639	12.2
546.29980	0.7
1026.73206	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	41.2
89.29768	0.2
96.96954	3.0
98.19878	0.9
150.97989	0.8
152.99580	50.3
153.99951	0.3
171.00636	9.8
175.03957	0.3
227.03235	2.5
245.04298	37.4
246.04630	0.5
253.21712	18.9
254.22078	0.5
309.98602	0.3
481.25687	100.0
482.26071	4.8
528.21619	0.4
553.28235	0.3
795.22717	0.7
895.45959	0.5
911.55585	0.3
996.74432	0.3
1123.48901	19.3
1124.49109	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	1127.5772
Annotation	Unknow
Peak:m/z	Relative Intensity
96.96028	2.3
104.23053	1.2
133.02937	1.3
141.91615	1.0
177.01952	1.6
211.13480	1.2
232.29002	1.2
253.09314	3.4
291.19653	2.4
309.20779	8.5
321.22626	1.2
472.67654	1.2
532.26935	1.5
545.29871	5.0
581.27332	100.0
582.27509	6.7
709.68365	1.3
993.43750	2.6
1095.18506	1.3
1098.06226	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1054.5714
Annotation	Unknow
Peak:m/z	Relative Intensity
75.51938	0.2
78.95905	22.8
83.05043	0.5
87.25600	0.2
96.96008	0.4
96.96967	0.6
97.02945	0.5
97.06615	0.5
99.08155	1.0
109.06596	0.2
111.07352	0.2
111.08109	0.2
113.09765	0.7
115.00438	0.2
121.10242	0.4
122.00149	0.7
125.09721	0.5
127.11285	0.2
129.09210	0.9
134.98534	0.2
137.09677	0.2
139.11302	1.9
140.00127	0.3
140.01193	5.1
149.09753	0.3
151.11304	0.3
152.99600	2.4
153.12929	0.2
155.10748	0.3
163.11272	0.3
165.12856	0.8
167.10765	0.5
167.14363	0.3
169.12315	0.3
171.00694	1.2
171.10271	8.2
172.10649	0.2
175.11234	0.3
181.12350	0.9
183.13914	0.8
185.11850	0.5
193.12326	3.3
195.13852	0.3
196.03792	8.3
197.11835	1.5
199.13443	0.8
209.11856	1.1
211.13380	5.4
212.13843	0.2
214.04836	1.8
227.12805	0.3
249.22261	0.8
262.95874	0.2
265.21490	0.2
275.20151	0.4
291.19577	0.3
293.21228	13.7
294.21542	0.7
309.20770	0.4
311.22272	24.9
312.22623	0.8
508.26764	100.0
509.27142	4.6
536.30951	0.3
900.77155	0.2
977.36896	0.2
1054.53845	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.6004
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01402	0.7
83.05035	0.5
85.02952	1.9
87.00861	1.2
89.02442	4.2
91.04012	0.3
93.07103	0.2
95.01391	0.7
96.95988	0.3
97.02933	0.8
97.06575	0.4
99.00893	0.3
101.02440	7.4
109.06611	0.5
111.08155	12.5
112.08466	0.2
113.02446	3.8
119.03495	1.5
123.08202	0.2
125.02444	0.4
125.09729	0.4
127.07648	0.7
129.01939	0.2
131.03493	0.4
137.09676	0.3
139.11320	0.3
141.01712	0.3
141.09187	0.3
143.03517	0.7
149.04541	0.2
151.11276	0.7
152.07112	0.2
153.09242	0.5
153.12849	1.1
161.04546	3.9
163.11295	0.4
165.12852	0.8
167.10771	0.5
167.14359	0.4
169.12334	6.4
171.10289	0.5
177.12857	0.2
179.05626	1.1
179.10735	0.8
179.14453	0.2
181.12311	0.9
183.13892	0.8
185.11794	0.2
193.12308	0.6
193.15988	0.2
197.11818	70.8
198.12131	1.4
199.13379	5.1
200.13634	0.2
207.13902	0.2
209.11858	0.6
211.13385	10.7
212.13742	0.3
221.11789	0.2
223.13493	0.2
227.12897	2.5
228.12973	0.2
229.19638	0.3
235.08228	0.7
247.17064	0.2
247.20589	1.1
253.09273	54.6
254.09621	1.1
263.20135	5.0
264.20544	0.2
265.18030	2.2
273.18558	1.8
291.19647	30.0
292.20105	1.1
293.21002	0.2
307.96158	0.2
309.20688	100.0
310.21011	3.4
422.81137	0.2
433.20767	3.5
435.22675	0.2
447.22433	0.2
466.20538	0.5
471.17230	0.2
477.91473	0.2
527.28479	1.4
545.29645	11.2
546.29907	0.5
565.12872	0.2
578.45062	0.2
1041.53723	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0194
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
59.01379	16.6
69.27449	6.1
72.99309	65.3
73.99643	1.1
75.00871	20.5
75.82161	0.7
87.92490	1.0
88.60009	0.7
103.00340	1.1
105.01932	100.0
106.02270	2.8
121.27706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.5797
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02923	2.0
77.40261	0.9
80.37391	1.0
80.62325	0.9
85.02939	3.3
87.00874	3.1
89.02451	10.4
93.03447	1.1
96.96011	1.5
97.02943	6.3
101.02434	8.0
111.08149	3.9
113.02470	4.9
119.03502	2.5
125.02402	3.5
153.12895	1.0
161.04535	3.2
165.12827	3.0
168.82681	0.9
169.12216	1.0
171.10248	1.8
179.05542	4.4
181.12276	1.4
195.13927	7.3
197.11821	14.3
199.13354	1.4
209.11766	1.9
211.13309	3.0
221.06705	1.1
223.13327	4.3
227.12852	1.6
235.08136	4.7
247.20575	1.3
257.21527	1.2
273.18677	1.2
275.20114	4.0
279.23798	1.0
287.07730	1.4
290.14035	0.9
291.12772	0.9
291.16623	1.9
291.19666	20.5
292.82584	1.0
293.21222	100.0
294.21530	3.3
305.08817	1.8
308.62674	1.0
309.20712	72.2
310.20987	2.4
379.12466	2.6
380.80527	1.0
397.13477	35.1
415.14587	18.8
585.41199	4.8
673.34113	3.5
689.33997	6.4
691.35364	5.4
707.34778	11.1
744.68805	1.4
915.69226	1.4
943.09772	1.3
983.56299	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	1047.6256
Annotation	Unknow
Peak:m/z	Relative Intensity
73.43894	0.4
78.26131	0.4
80.02668	0.7
81.03471	1.5
81.43185	0.4
83.01379	1.2
83.05022	3.2
87.00887	0.7
89.02453	1.1
95.05006	0.6
96.96034	0.5
97.02926	0.8
97.06585	1.1
98.20621	0.5
101.02435	1.7
111.08197	0.6
113.02458	1.1
123.04512	0.8
123.08145	0.7
125.09712	2.4
133.03044	0.4
134.03766	0.5
135.08191	1.0
137.09732	0.9
143.03499	0.5
145.05177	0.5
149.06009	0.6
161.04605	0.9
163.11273	4.0
165.12819	1.9
167.10788	0.4
171.10301	1.1
181.12343	1.0
185.11830	1.2
191.10811	1.2
191.14476	1.0
195.13997	2.3
207.10248	1.2
209.11833	100.0
210.12175	2.7
211.13361	0.9
223.13397	1.8
225.11328	1.3
227.12895	11.5
228.13647	0.4
235.08217	4.6
245.19106	2.6
253.09302	12.0
275.20227	3.2
289.18057	5.8
291.19669	0.8
293.21240	42.4
294.21716	2.0
305.64288	0.4
307.19135	6.0
308.19604	0.5
384.09006	0.4
397.13208	0.5
445.20822	5.7
463.21872	0.8
529.30414	1.0
739.43445	1.1
771.42377	0.4
893.00739	0.5
908.74268	0.4
1047.53296	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.5893
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99301	0.1
73.02939	0.2
81.03450	0.1
83.01388	0.2
83.05018	0.5
84.02144	0.2
85.02943	0.8
85.06618	0.1
87.00860	0.5
89.02442	2.2
95.01397	0.1
95.05039	0.1
96.95994	0.3
97.02943	0.5
97.06606	0.4
99.00864	0.2
99.08153	3.6
101.02446	1.9
103.03961	0.1
109.06591	0.2
111.08157	1.7
113.02446	0.8
113.09690	0.1
119.03493	0.7
121.10213	0.2
125.02454	0.6
125.09710	1.1
127.07639	0.2
127.11291	2.4
129.09171	0.3
131.03534	0.1
133.01479	0.1
133.05101	0.1
137.09737	0.3
139.11284	2.5
143.03450	0.4
143.10817	0.1
151.11339	0.2
153.09175	0.1
153.12877	0.2
155.10777	0.5
155.14430	0.7
157.12308	0.4
161.04530	0.4
163.11247	0.2
165.12778	0.6
167.10796	0.4
167.14418	1.0
169.12344	0.7
171.10258	9.0
172.10588	0.3
175.11331	0.1
176.18329	0.1
177.12811	0.1
179.05643	0.6
179.54619	0.1
181.12302	0.3
183.13892	4.2
184.14250	0.1
185.11763	0.3
185.15454	0.1
193.12343	1.4
197.11818	7.8
198.12117	0.2
199.13387	0.7
201.11229	0.2
201.14854	0.1
205.39691	0.1
209.11838	1.3
211.13379	26.3
212.13724	0.7
213.11436	0.1
221.06592	0.2
227.12900	0.4
229.14423	16.0
230.14825	0.5
235.08249	0.6
247.20496	0.2
249.21907	0.1
253.09323	0.2
263.07635	0.1
263.20053	0.7
265.18195	0.1
273.18558	0.2
291.19650	2.9
292.20145	0.1
293.21191	1.1
305.08643	0.2
308.18875	0.1
309.20694	22.1
309.49506	0.1
310.21036	1.1
311.22211	1.1
323.09814	0.2
327.21674	0.8
328.22083	0.3
329.23297	100.0
330.23648	5.0
330.29544	0.1
331.23825	0.4
332.78439	0.1
382.24838	0.1
397.13474	5.6
398.13794	0.3
415.14545	11.4
416.15109	0.4
435.21970	0.1
527.28870	0.2
595.26105	0.3
689.33722	0.3
707.34912	6.5
708.34918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.5747
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99290	0.1
73.02953	0.4
80.02695	0.2
81.03454	0.3
83.01385	0.3
83.05026	0.8
84.02154	0.3
84.75818	0.1
85.02947	5.0
87.00876	0.5
89.02443	2.4
93.03461	0.1
95.01383	0.3
95.05033	0.6
96.96017	0.5
97.02937	1.4
97.06590	2.7
99.00920	0.2
99.04557	0.1
101.02432	2.0
106.04245	0.1
109.02967	0.1
109.06609	0.3
110.03762	0.2
111.04521	0.2
111.08164	1.6
113.02473	0.9
119.03484	0.7
119.08639	0.3
121.02883	0.1
123.08168	0.3
125.02408	0.6
125.09729	1.1
127.07644	0.3
127.11292	1.3
135.08165	0.2
137.09718	1.6
143.03474	0.3
149.09735	0.1
151.11247	0.1
153.09230	0.2
153.12830	0.3
155.10788	0.7
155.11897	0.1
155.14464	0.3
161.04555	0.4
163.11330	0.3
165.09238	0.1
165.12836	0.9
167.10759	0.3
167.14445	0.8
169.12331	0.5
171.10265	16.8
172.10635	0.4
175.11252	0.3
177.12807	0.9
179.05577	0.7
181.12387	0.5
183.13901	3.0
185.11800	1.0
190.92889	0.1
193.12288	1.2
195.10205	0.1
195.13879	0.5
197.11827	6.6
198.12221	0.2
199.13429	0.5
200.13811	0.1
201.11339	0.6
201.15071	0.1
203.10750	0.4
209.11839	1.8
211.13383	19.1
212.13707	0.6
221.06769	0.3
221.11810	3.4
223.13354	0.3
225.11484	0.1
227.12883	0.5
229.14430	12.0
230.14819	0.3
231.53392	0.1
235.08336	0.8
239.12877	2.2
247.20709	0.5
253.09242	0.3
257.14035	0.1
263.20172	0.4
265.18176	0.1
273.18607	0.5
287.07635	0.2
291.19650	6.6
292.19986	0.3
305.08749	0.2
309.20700	23.9
310.21048	0.8
327.21741	100.0
328.22086	3.9
389.55386	0.1
397.13455	6.3
398.14111	0.2
415.14548	11.9
416.14804	0.5
561.29816	0.1
595.26050	0.3
609.27722	0.4
689.33551	0.7
707.34937	6.7
708.35352	0.3
933.40692	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	1021.5943
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	1.2
72.99326	0.2
73.02951	0.3
83.01403	0.1
83.05026	0.2
84.02162	0.2
85.02955	0.3
87.00877	0.2
89.01913	0.1
89.02431	0.8
95.01354	0.1
96.95999	0.1
97.02956	0.3
97.06591	0.4
99.08108	0.1
100.02251	0.1
101.02436	1.1
109.06583	0.1
111.04489	0.1
113.02476	0.5
119.03514	0.3
121.10236	0.3
123.08160	0.3
125.02480	0.4
125.09716	3.1
127.11288	5.7
128.11642	0.1
137.09718	1.0
139.11281	3.7
143.03508	0.1
143.10780	0.5
151.11261	0.1
153.09245	0.4
155.10783	2.1
155.12048	0.1
157.12378	0.4
157.13707	0.1
157.65422	0.1
160.74030	0.1
161.04468	0.2
165.09203	1.4
167.10777	0.2
171.10262	26.4
172.10616	0.6
173.11861	0.1
179.05598	0.2
183.10255	0.7
185.11786	0.5
187.19704	0.1
195.13892	0.8
196.14548	0.1
197.11768	0.1
199.09721	0.8
201.11310	24.2
202.11694	0.4
205.12236	0.1
210.01044	0.1
211.13365	0.4
213.11316	0.3
221.06601	0.1
223.13377	0.6
228.13521	0.1
229.14355	0.2
231.21164	0.2
232.41652	0.1
235.08281	0.4
253.09175	0.1
256.13110	0.1
265.21741	0.1
275.20132	1.7
276.20209	0.1
291.19757	0.1
293.21213	14.8
294.21606	0.6
299.22696	0.1
305.08636	0.1
309.20718	0.2
311.22266	1.8
327.21768	0.9
328.22079	0.7
329.23297	100.0
330.23639	3.2
397.13464	4.1
398.13696	0.1
415.14539	5.5
416.14716	0.2
477.98801	0.1
654.27478	0.2
691.35406	2.3
692.35754	0.1
721.00677	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.465
Annotation	Unknow
Peak:m/z	Relative Intensity
71.47132	0.5
77.03975	1.3
79.95718	0.5
85.02959	0.6
89.02460	0.9
89.03977	0.9
93.03459	1.4
95.05030	5.2
96.96011	4.3
101.02436	1.1
105.03455	15.5
106.04266	1.0
109.02950	1.4
111.08165	0.7
113.02464	0.5
115.00377	7.2
116.92844	0.6
121.02947	2.4
123.04516	1.6
132.02180	0.6
133.02956	100.0
133.94073	0.4
134.03754	16.7
135.04524	5.7
137.02438	10.4
138.02834	0.5
139.04027	3.6
149.02417	0.7
150.03209	1.0
151.04002	0.5
151.52469	0.4
159.04588	0.5
167.14304	0.4
171.10268	1.2
177.01926	68.8
178.02701	23.5
178.72089	0.4
179.03499	9.2
179.05264	0.4
179.05687	0.4
183.13919	0.6
197.11830	1.4
209.11827	2.1
211.13387	6.7
220.59674	0.4
227.12788	0.6
235.08272	1.2
235.13361	0.6
240.23944	0.4
253.09250	1.1
283.13361	1.1
291.19736	1.6
299.16687	0.4
307.19025	1.8
309.15259	1.9
309.20657	4.8
325.20206	1.1
327.15976	4.8
327.21686	2.0
341.23419	0.7
342.23825	0.5
345.17078	0.9
397.13507	2.0
415.14722	1.3
447.22357	1.3
545.29517	0.7
563.24854	0.7
581.25916	1.7
637.27399	0.6
739.42694	3.5
855.45032	2.4
873.46338	19.9
874.46808	1.4
885.11212	0.5
917.45355	39.0
918.45923	3.7
1033.51416	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.5942
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	1.2
72.99313	0.1
73.02943	0.4
82.16089	0.1
83.01415	0.1
84.02169	0.1
85.02956	0.3
87.00873	0.3
89.02444	1.1
95.01384	0.1
97.02942	0.2
97.06594	0.3
99.00875	0.1
99.08157	0.2
101.02436	1.2
109.06590	0.1
113.02439	0.5
113.09726	0.1
119.03523	0.3
121.10264	0.5
123.08153	0.3
125.02431	0.3
125.09719	2.6
127.07616	0.1
127.11283	4.5
128.11595	0.1
129.09218	0.6
130.09544	0.1
131.03532	0.1
133.13985	0.1
137.09709	0.7
139.10202	0.2
139.11284	3.9
141.09221	0.4
141.12856	0.1
143.03502	0.1
143.10765	0.3
151.11340	0.1
153.09196	0.3
155.10776	2.3
157.12329	0.2
161.04512	0.1
165.09201	0.9
167.10762	0.1
169.12338	0.1
171.10257	28.7
172.10555	0.6
179.05592	0.2
179.14465	0.1
183.10258	0.8
183.13979	0.1
185.11827	1.7
186.12152	0.4
195.13860	0.9
197.11780	0.7
198.12148	0.4
199.09750	0.8
199.13470	0.1
201.11305	17.9
202.11673	0.4
211.13388	0.4
213.11374	0.7
223.13364	0.8
229.14531	0.2
231.21213	0.2
235.08228	0.3
247.20633	0.1
253.09242	0.1
256.13113	0.1
265.21732	0.2
275.20123	2.6
276.20398	0.1
291.19696	0.3
292.20142	0.2
293.21204	15.2
294.21530	0.8
295.21860	0.2
299.22375	0.1
305.08755	0.2
309.20804	0.6
310.20996	0.4
311.22244	2.4
327.21762	2.6
328.22055	2.1
329.23285	100.0
330.23605	3.8
397.13440	3.7
397.17551	0.1
398.13681	0.3
415.14532	5.5
416.14966	0.3
417.15228	0.1
654.27460	0.2
691.35260	2.3
692.35638	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.579
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	1.8
71.02020	0.2
71.05018	0.4
71.99743	0.2
73.02937	1.5
83.01423	0.3
83.05009	0.3
85.02952	1.2
87.00873	0.5
89.02440	1.5
95.01443	0.2
95.05050	0.3
96.96014	0.2
97.02935	0.3
97.06583	1.2
98.03727	0.7
99.08151	1.0
101.02450	1.4
111.08139	0.4
112.05286	0.4
113.02435	0.6
113.09707	1.1
115.07623	1.4
115.10037	0.2
118.19246	0.2
119.03477	0.4
125.02430	0.5
125.06086	0.2
125.09696	0.9
127.07637	2.2
127.11289	0.8
129.09212	11.4
137.09715	0.3
139.11259	0.4
141.09210	5.6
141.10313	0.3
141.12875	0.8
143.03477	0.2
151.11310	0.2
153.09293	0.2
153.12837	0.5
155.10771	7.2
161.04509	0.3
163.11273	0.4
165.12820	1.5
167.10754	0.2
167.14424	0.2
171.10260	9.5
172.10609	0.4
173.08156	0.5
177.12672	0.2
179.05579	0.3
179.10953	0.2
179.14363	0.3
180.11580	0.2
181.12308	0.9
183.13863	0.5
185.11813	22.2
186.12134	0.4
193.12299	0.5
193.15962	0.2
195.13910	1.3
197.11812	21.4
198.12177	0.6
199.13306	0.3
201.11310	0.5
205.15958	0.2
207.26076	0.2
209.11826	3.8
211.13373	2.3
212.13576	0.2
221.15428	0.2
223.13434	1.1
227.12921	0.5
229.14447	1.4
235.08156	0.5
238.12108	0.6
239.12924	0.3
247.20685	1.5
263.20041	0.3
263.77829	0.2
264.20523	0.2
265.21597	0.3
273.18686	0.8
275.20108	0.7
281.21078	0.5
291.19647	10.4
292.20062	0.4
293.21207	18.9
294.21686	0.8
305.08780	0.2
307.18970	0.2
309.20688	20.7
310.20981	0.6
325.20172	0.5
326.20496	0.3
327.21732	100.0
328.22079	4.5
329.23315	1.1
397.13461	6.0
398.13559	0.2
415.14554	8.1
416.14865	0.5
654.26703	0.2
691.35388	3.7
692.35913	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.6
72.74349	0.1
73.02940	1.8
73.54669	0.1
76.52050	0.1
83.05000	0.1
85.02943	0.6
87.04515	1.4
87.90064	0.1
89.02454	0.2
89.60342	0.1
94.20502	0.1
94.21164	0.1
94.82214	0.1
95.01376	0.3
97.02973	0.1
98.76369	0.1
100.12721	0.1
101.02442	0.3
109.06603	0.2
111.04449	0.1
113.02439	1.1
119.08732	0.2
123.06261	0.1
135.08185	1.1
135.57782	0.1
137.09715	7.4
139.11301	0.2
143.98067	0.1
151.11287	0.2
155.10771	86.4
156.11092	1.8
161.04565	0.2
169.12325	0.8
173.31328	0.1
181.08691	0.9
199.09740	100.0
200.10095	2.0
209.11774	0.4
213.11284	0.8
241.10809	2.2
275.09213	0.2
293.10233	0.1
301.12808	0.1
343.13470	0.1
361.14999	21.2
362.15347	0.7
397.13611	0.5
460.57071	0.1
607.25836	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	5.9
87.00879	2.1
89.02428	5.9
96.96017	4.2
98.20625	2.9
101.02433	6.5
107.07793	1.7
111.08118	1.8
113.02451	3.9
121.21384	1.6
133.02979	1.7
161.04471	2.9
177.01982	1.9
178.59650	1.6
179.05641	2.7
195.13884	2.7
197.11819	7.6
211.13335	3.8
235.08139	2.0
254.38773	1.6
275.20358	1.5
291.19629	10.5
293.21231	70.5
294.21790	2.2
306.28445	2.0
309.20703	57.2
310.20990	1.8
313.45297	1.7
379.12418	2.3
389.62759	1.9
397.13559	30.2
398.13934	1.8
415.14459	13.9
490.94702	1.8
549.70758	2.4
564.40497	2.0
585.41748	2.8
673.34308	5.1
689.33905	9.1
691.35559	5.3
698.56604	2.0
707.35016	16.7
718.95050	1.9
983.56390	8.7
1019.53436	100.0
1020.34363	2.0
1020.52417	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	1017.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	30.0
72.01771	0.6
72.99300	2.0
73.02946	5.6
80.02686	1.2
80.62879	0.7
81.03454	3.5
83.01376	2.9
83.05021	2.8
84.02165	1.3
85.02959	4.6
87.00868	4.7
89.02440	16.1
93.03432	1.4
95.01391	1.3
95.05046	1.6
97.02938	7.8
97.06581	2.6
99.00822	1.0
101.02434	16.0
105.03435	2.2
107.05010	1.5
107.97211	0.6
109.02952	0.7
109.05898	1.2
109.06592	19.1
110.03741	1.2
111.04560	1.0
113.02451	8.4
115.00362	1.1
119.03493	4.8
121.02968	0.9
121.06571	1.8
123.04491	0.8
125.02460	7.8
125.06081	1.3
125.09725	2.5
127.11257	0.9
131.03452	1.2
133.02945	13.5
133.05086	1.1
134.03743	1.5
135.08156	2.4
136.05318	1.0
137.02473	1.9
137.09709	1.8
139.03996	1.1
139.23384	0.6
142.02710	2.8
143.03444	3.6
149.04565	0.7
151.07547	0.8
151.89435	0.7
153.09148	0.7
155.10764	1.7
161.04529	4.0
161.09680	1.4
163.11269	11.3
171.10274	5.4
177.01929	9.6
178.02679	3.2
179.03499	1.0
179.05638	3.7
179.10695	0.8
181.12344	3.8
185.04543	0.8
185.11766	1.3
189.09299	0.7
199.09743	26.9
199.11603	1.4
207.10249	30.0
208.10527	0.8
209.11838	2.8
211.13373	5.0
215.12831	0.9
217.07219	0.8
221.06642	1.7
225.11305	13.2
229.39542	0.8
235.08203	8.8
243.12372	1.6
253.09319	2.5
257.12653	0.6
277.21701	53.5
278.22104	2.3
287.07736	2.6
291.19800	1.1
293.21252	0.7
305.08743	3.9
309.20651	2.1
311.22290	1.8
323.09775	1.5
327.15881	0.7
327.21689	1.5
341.19391	0.7
379.12680	1.0
397.13474	100.0
398.13824	2.3
415.14551	31.6
416.14941	1.4
570.75342	0.7
675.36017	5.4
857.46881	2.8
889.84113	0.7
901.46179	4.0
977.92120	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	8.5
77.03970	2.4
89.02465	0.6
89.03995	2.2
93.03447	1.4
95.05036	5.4
96.96016	2.6
97.88168	0.4
101.02446	0.6
105.03468	17.2
106.04279	0.9
109.02941	1.0
111.00883	0.5
113.02437	0.5
115.00388	7.9
121.02970	2.2
123.04519	1.5
132.02220	1.0
133.02962	100.0
134.03769	18.4
135.04543	4.8
137.02454	9.5
139.04025	3.0
149.02451	0.9
150.03238	1.4
151.03960	0.7
159.04558	0.7
171.10330	0.9
177.01935	71.2
178.02710	23.1
179.03485	7.8
202.06155	0.5
207.10344	0.5
211.13403	6.8
233.85791	0.4
235.08229	0.7
253.09322	1.0
277.21536	0.5
283.13477	1.0
293.21265	4.2
294.21509	0.5
299.16510	0.7
309.14975	1.5
309.20676	0.9
327.16010	4.5
327.21857	1.3
334.52603	0.4
342.23557	0.7
345.16840	0.6
397.13364	1.8
415.14542	0.8
447.22433	2.4
563.25262	0.7
581.26123	1.9
617.54089	0.5
723.43390	3.9
763.33417	0.5
839.45959	2.0
857.46857	18.7
858.47400	1.5
901.45844	39.4
902.46057	4.4
989.57324	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	21.8
71.05006	0.2
71.33295	0.1
71.55276	0.1
72.01688	0.2
77.03974	0.3
83.05022	0.2
85.02938	0.3
89.03967	0.4
93.03469	0.6
95.05025	1.0
96.96005	0.4
97.06565	1.2
99.08161	0.5
105.03463	3.9
106.04272	0.2
108.02139	0.2
109.02933	0.2
111.00837	0.2
111.08171	0.2
113.06104	0.1
115.00368	8.8
117.03456	1.5
119.05024	0.4
120.03619	0.1
121.02955	0.8
123.04520	0.9
123.08168	0.2
123.91022	0.1
125.09737	0.2
132.02188	0.2
133.01363	0.6
133.02953	16.2
134.03735	25.2
135.04532	5.7
136.04953	0.1
137.02440	3.3
139.04007	1.1
141.09230	0.1
143.10750	0.2
145.02966	0.8
149.02438	0.9
150.03178	0.5
151.03949	0.1
159.04494	0.2
161.02435	2.6
162.03217	10.1
163.03706	0.1
165.01958	0.2
165.05511	0.1
165.42796	0.1
172.05278	0.3
173.06047	0.3
177.01920	10.8
178.02704	7.9
179.03246	0.4
181.12326	1.6
187.07611	1.0
203.10834	0.7
224.13074	0.1
225.39381	0.1
227.12889	0.5
231.10240	21.6
232.10576	0.7
245.13925	0.4
275.09229	100.0
276.09555	3.6
327.22150	0.1
345.22784	24.1
346.23132	0.7
391.10333	8.0
392.10452	0.3
511.22775	0.1
621.27032	0.2
667.38953	0.2
961.68585	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43649	0.1
73.02913	0.2
80.53060	0.1
83.01356	0.2
85.02920	0.2
89.02431	0.1
99.00859	0.1
101.02430	0.3
107.01366	0.4
113.02402	0.2
132.02129	0.1
133.02979	0.2
134.03717	0.5
148.01639	0.2
149.02402	0.1
149.99603	0.1
150.94205	0.1
151.00356	0.7
155.05157	0.1
161.04543	0.1
168.36174	0.1
172.05170	0.1
183.04512	0.1
195.04593	0.1
196.63795	0.1
199.03943	0.1
209.15375	0.1
211.04076	0.3
212.04732	0.2
216.04150	0.1
227.03404	0.5
228.04352	0.1
239.03487	0.1
240.04617	0.1
255.02948	1.5
256.03717	2.1
256.06467	0.1
257.03793	0.1
269.04645	0.2
283.02466	1.2
284.03226	56.7
285.03607	2.1
297.04105	0.5
298.04758	0.9
299.05566	100.0
300.05902	3.9
306.05212	0.2
321.07715	0.2
326.04324	0.1
341.06650	1.4
365.06451	0.2
371.20822	0.3
413.21829	0.6
443.09760	0.6
461.10583	0.3
488.09653	0.2
503.12000	1.4
503.19070	0.1
504.12143	0.1
638.92377	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	1009.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	2.1
71.27317	0.3
71.55154	0.3
78.93568	0.3
78.95908	17.2
81.03465	0.4
83.05013	0.7
85.02950	0.4
88.98814	0.7
89.02452	0.4
96.95995	1.0
97.02955	1.0
97.06593	0.5
99.08156	0.7
101.02470	0.4
104.97472	0.4
108.22020	0.2
109.06581	1.1
110.98531	11.5
111.08138	0.5
112.98019	0.3
113.09703	1.0
115.57893	0.3
119.64299	0.2
121.10255	0.5
125.09723	1.3
127.11266	0.7
137.00041	0.5
137.09703	0.3
139.11296	2.8
149.09708	0.4
153.09064	0.3
162.76067	0.2
163.11266	1.1
165.12813	0.6
167.01149	10.8
171.10268	11.1
175.11275	0.5
181.12315	0.7
183.13831	0.5
185.02194	3.3
185.11826	0.8
193.12320	4.7
197.11769	1.0
199.13300	0.3
207.10255	3.3
209.11871	1.5
211.13379	5.3
225.11351	1.4
227.12918	0.6
249.22131	1.1
253.09354	0.7
265.21536	0.5
289.18143	0.4
291.19684	0.6
293.21213	15.4
294.21567	0.5
309.20715	0.7
311.22275	30.8
312.22592	0.9
397.13455	0.3
461.20239	0.7
479.24127	100.0
480.24429	4.7
526.81293	0.3
853.37177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.5694
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	9.7
71.23019	0.6
72.99312	0.9
73.02946	1.4
81.03477	0.6
85.02939	5.0
87.00874	2.5
89.02451	7.0
96.96011	5.8
97.02956	2.4
97.06575	2.0
99.00872	0.7
101.02438	6.2
109.06595	0.7
111.00791	0.5
113.02437	2.4
119.03521	1.2
121.03000	0.6
125.02412	2.6
125.09728	0.8
127.11259	1.4
130.93387	0.6
131.03462	0.7
137.09793	1.1
155.10759	1.2
157.97006	0.6
159.08154	0.5
161.04555	1.4
171.10272	21.9
179.05652	2.8
180.17528	0.5
181.12299	0.7
183.13913	1.8
185.11794	1.2
195.13864	3.6
201.11403	0.9
209.11862	1.5
211.13383	13.1
221.06755	1.5
221.11852	1.8
223.13426	2.7
229.14436	9.4
235.08186	2.5
239.12827	1.2
241.11121	0.6
247.20958	0.6
253.09261	0.7
275.20108	2.2
284.87033	0.8
291.19617	4.6
293.21225	38.3
294.21484	1.6
309.20737	12.3
310.21072	0.9
327.21753	100.0
328.22208	3.2
354.22382	0.6
397.13492	17.7
415.09021	1.0
415.14575	18.0
603.42584	4.9
667.92804	0.6
673.33795	0.8
691.35425	3.5
707.35046	11.3
725.35950	11.7
1001.57477	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	1002.606
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51161	0.2
77.30237	0.2
78.95906	27.6
96.96964	1.9
102.26043	0.2
148.83458	0.2
150.98010	0.6
152.99588	41.1
153.99925	0.4
170.99498	0.2
171.00650	7.8
227.03290	2.5
245.04306	29.4
246.04721	0.4
253.21725	12.8
254.22099	0.4
367.17874	0.2
481.25714	100.0
482.26093	5.4
674.91785	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6054
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	1.6
69.07072	11.4
69.76915	2.8
69.77332	3.4
71.04970	2.2
71.08601	1.7
73.02921	2.0
79.05064	1.9
79.05499	27.9
81.03407	2.4
81.07058	29.5
81.48063	1.0
83.04994	2.0
83.08626	6.5
85.02904	9.3
85.06545	1.6
86.09740	1.2
88.16818	1.1
91.03960	4.2
91.05482	32.1
93.07049	34.8
95.04955	4.1
95.08614	25.4
97.02884	4.4
97.06520	2.8
97.10165	3.6
105.07033	32.1
107.04949	1.9
107.08601	18.3
109.06557	2.2
109.10143	11.3
115.05458	1.4
117.07022	15.0
119.08585	24.7
121.10148	12.7
123.08048	1.3
123.11720	2.6
125.00121	1.1
125.09632	1.4
127.03942	1.4
128.06248	1.8
129.07016	12.4
130.07722	1.3
131.08575	21.1
133.10138	18.5
135.08066	1.3
135.11690	9.5
137.09679	1.8
141.06950	5.0
142.07794	2.9
143.08575	12.4
145.05016	2.5
145.10133	21.4
147.08107	1.1
147.11674	11.5
149.09637	2.0
149.13246	4.3
153.07016	1.4
155.08560	9.1
156.09335	1.3
157.10110	12.6
159.11678	14.8
161.13240	6.8
161.92847	1.3
163.06021	2.0
163.14879	1.7
167.08591	3.3
169.10152	10.6
171.11736	10.8
173.13251	7.9
175.14787	3.9
176.99231	2.8
179.08557	2.0
181.10150	5.2
183.11684	10.8
184.07335	2.1
185.13293	8.2
187.14827	3.8
189.16382	1.5
193.10146	2.3
195.00269	3.9
195.11739	5.8
197.13277	7.6
199.14851	5.4
201.16396	2.6
203.17932	1.3
207.11671	1.9
209.13264	5.2
211.14824	4.9
213.16418	2.9
221.13260	2.7
223.14771	2.7
225.16351	3.8
227.18141	1.7
229.19495	1.2
233.13286	1.8
235.14838	2.5
236.94034	1.4
237.16371	2.7
239.17957	2.8
241.19656	2.4
249.16507	2.2
250.55009	1.1
251.17937	2.7
254.95087	2.6
255.17290	1.8
257.19019	4.1
259.20578	4.1
265.19516	1.4
270.33511	1.2
275.20239	1.1
283.20544	1.2
292.96680	1.4
311.25763	3.2
331.23013	1.3
333.24240	4.0
335.25891	3.2
341.24866	1.8
353.24701	1.5
363.26883	1.3
365.28329	1.9
375.25415	1.3
389.28278	1.7
409.31079	1.4
421.30771	1.4
423.32321	1.2
459.30948	1.8
473.32690	1.2
487.34546	1.5
499.39548	1.2
501.35611	3.3
505.25385	17.3
515.37415	1.8
517.40509	12.9
521.35931	1.5
535.41248	3.6
539.37128	4.4
540.38397	1.5
541.38782	1.9
549.15100	1.1
585.20605	1.6
591.44177	9.1
609.45135	100.0
610.45337	2.3
621.44751	1.6
651.46338	2.4
699.46075	1.3
717.47363	1.9
735.48291	2.3
753.49139	3.1
771.50293	7.4
942.51135	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	0.4
69.07065	0.5
79.05441	0.6
81.07064	0.9
83.08649	0.4
85.02908	0.4
91.05480	0.6
98.20786	0.9
105.07014	0.7
107.08591	0.4
111.06297	0.4
119.08670	0.5
119.73469	0.4
166.53748	0.4
199.47655	0.5
259.94644	0.4
305.20810	0.5
315.19345	0.4
385.12946	0.9
398.13858	0.7
399.14780	1.4
400.15311	3.3
410.14673	0.6
411.15186	0.6
412.15335	0.8
413.16208	1.5
414.17010	1.7
421.12952	1.1
422.13913	2.1
423.14468	3.3
424.15460	1.1
425.16556	0.8
426.17734	0.5
427.17679	1.4
428.17542	0.8
429.19336	0.8
430.16763	0.5
435.14780	1.1
436.15509	2.9
437.16293	5.2
438.16998	1.8
439.17874	1.0
441.15613	1.3
442.16669	1.7
450.17563	2.1
451.18625	3.1
452.18509	1.8
453.15656	0.6
455.17291	1.3
456.18164	1.5
457.17239	0.5
464.15060	1.7
465.15399	2.0
465.19928	2.0
466.16464	0.7
466.20850	0.6
467.17685	2.1
469.15097	1.9
470.16049	0.8
478.16672	2.5
479.17764	3.0
480.18353	3.1
481.15009	1.8
481.20132	0.8
482.15189	1.0
483.16852	5.1
484.17447	1.8
493.19101	6.0
494.16156	1.6
495.16672	4.6
496.17349	1.5
497.14813	1.8
498.15219	2.1
503.17584	0.5
506.16211	0.8
507.17026	1.7
508.17407	3.4
509.18808	2.7
510.18912	0.7
511.15552	6.0
512.16772	4.3
516.23419	0.8
521.18475	6.3
522.14716	4.5
523.16345	1.2
524.17896	0.7
525.21051	0.6
526.14728	0.7
538.18573	0.5
539.19250	5.7
540.17218	0.6
543.22900	2.3
549.17401	1.2
553.20935	12.1
566.18561	0.6
571.21887	9.0
581.20386	40.6
582.20630	1.5
594.23572	0.6
598.20563	3.0
599.21423	7.4
613.23053	11.8
622.23108	3.9
630.22833	2.3
631.24335	3.5
641.22467	100.0
642.22504	4.3
657.22052	1.6
658.22705	8.3
659.23505	27.9
660.23914	1.0
753.34656	0.8
888.49988	0.6
921.45386	0.5
939.47711	6.1
967.46753	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	2.0
70.06595	1.7
70.07942	2.6
79.05490	2.1
80.05025	2.1
81.03414	1.7
81.07024	0.9
85.02910	4.4
89.03921	1.5
91.05479	2.5
92.04964	1.4
93.05779	1.7
93.07028	2.6
94.06572	9.3
95.07352	4.7
96.08126	10.7
97.02882	2.6
97.06525	1.1
97.28551	0.8
106.06563	2.6
107.07351	1.5
108.04482	2.8
108.08114	16.1
110.06024	0.9
110.09679	14.0
116.04971	4.9
118.06522	1.8
120.04451	7.6
120.08099	12.8
121.06467	1.0
122.06023	9.4
122.09653	2.9
123.06776	0.8
124.07598	12.2
131.00201	1.0
132.04347	1.0
132.08000	1.1
134.06018	5.0
136.06523	1.2
136.07571	23.7
136.08560	1.7
138.05537	1.9
138.06535	0.8
138.09142	24.4
138.10207	1.2
140.14154	1.1
144.04474	9.1
144.08078	1.5
146.05991	10.4
148.07582	9.2
149.01187	1.1
150.05568	1.5
150.09140	5.5
152.07095	6.8
160.03951	3.2
162.05513	9.7
164.07074	4.7
166.08641	42.6
172.03934	61.7
174.05476	4.3
176.07068	7.8
178.05089	1.7
178.08646	1.0
186.05585	1.3
186.09248	1.1
190.04988	34.8
192.06531	3.1
197.10666	1.9
199.12340	1.3
202.08841	1.1
204.06557	100.0
205.06940	1.0
206.08066	2.6
207.08984	0.9
208.09679	1.0
210.11540	1.7
211.08636	1.9
212.09392	1.9
213.10176	1.1
218.08138	1.4
222.07462	1.3
225.10216	6.5
226.11015	2.0
227.11787	10.6
229.09773	1.2
235.08914	1.1
236.09436	1.9
237.10179	3.6
238.10933	1.8
239.11768	3.5
241.09785	1.0
243.11296	1.4
245.12923	1.8
248.09395	1.2
249.10199	3.7
250.10936	2.0
251.08130	2.1
251.11746	3.7
252.08893	1.8
253.09729	6.1
253.13361	2.1
254.10474	1.0
255.11215	9.3
261.10150	1.0
262.11038	2.7
263.08160	1.5
263.11798	4.0
264.08966	3.1
265.09668	7.5
265.13269	1.6
266.10349	5.3
267.11279	11.3
269.12775	7.2
271.10660	4.0
273.12323	13.4
275.11743	2.1
277.09662	5.6
277.12857	0.9
278.10394	3.4
279.11273	16.5
280.12054	3.4
281.09525	1.7
281.12814	6.0
283.10696	2.9
284.11542	3.0
285.12433	7.7
286.13193	1.1
287.13925	8.8
289.09680	2.3
291.11166	4.0
293.09229	8.5
293.12888	3.5
294.09888	1.4
295.10760	3.3
296.11594	2.6
297.12329	13.6
299.13962	8.7
303.11099	2.4
305.09332	4.2
305.12491	1.3
306.09998	3.8
307.10751	6.6
309.12271	9.5
311.10217	3.9
311.13589	1.3
313.11865	2.0
317.08954	1.1
319.10620	2.5
321.12360	10.8
322.09305	2.5
323.10245	10.9
323.13724	1.3
324.10956	1.2
325.11829	32.1
326.12549	1.2
327.13495	9.4
327.17331	1.6
328.14395	2.1
329.08994	1.3
329.15067	2.7
330.15955	1.2
331.10706	1.2
331.16714	1.8
333.12344	1.5
335.10107	2.5
336.11078	1.5
337.11957	5.0
338.08786	1.1
339.13342	3.6
340.10251	1.8
341.11523	1.3
342.12335	2.2
343.12979	7.4
347.10138	1.7
349.11838	1.9
351.09567	1.2
352.10342	1.3
353.11389	1.3
354.12088	2.9
355.13193	1.7
356.13696	1.9
357.14447	45.3
358.15094	2.7
359.11310	1.1
359.16049	6.1
359.23233	2.3
359.73242	1.1
361.11649	1.5
365.11398	3.4
366.11987	3.0
367.12933	2.2
370.15659	1.6
375.09280	1.0
377.11343	1.6
382.11710	2.4
383.12427	1.6
384.13300	3.0
384.17523	1.7
385.14026	2.3
386.14603	4.4
386.19019	1.3
388.16647	2.0
390.18054	2.4
393.10791	2.3
396.12863	1.3
398.14853	6.4
399.15866	8.1
400.16544	12.5
402.18195	1.7
404.15945	2.4
412.16525	1.6
414.18185	2.5
416.15860	6.4
418.17773	1.5
427.14597	1.1
428.15927	2.9
429.12265	1.3
430.17401	2.4
431.17969	1.0
432.19223	3.8
439.11099	1.0
440.16046	3.8
445.15927	2.2
446.16882	3.7
447.17554	2.1
448.18671	3.6
449.19125	1.3
458.17010	9.0
459.17783	2.2
460.18610	3.2
462.20120	2.0
469.16440	1.7
472.18509	1.2
474.20029	1.1
476.17844	1.9
478.19589	1.9
487.17099	20.0
488.17670	1.3
489.18097	1.4
490.19354	3.9
492.20682	1.0
501.14719	0.9
511.13486	1.5
513.15161	3.3
519.19531	3.6
521.20789	1.3
523.13452	2.8
535.37225	1.0
535.98676	1.2
541.14465	4.7
550.15472	1.1
556.16931	1.4
565.24634	1.0
569.23993	2.8
583.25989	1.1
593.23578	2.5
598.17853	1.2
604.19043	3.4
611.24988	43.8
612.25641	4.8
613.26807	7.6
616.19196	9.4
622.19897	1.2
624.25610	1.0
634.20154	3.0
636.22485	1.3
643.27515	15.4
644.28033	2.7
645.28809	2.4
646.20099	1.6
647.20795	1.9
648.21906	2.0
652.24487	2.1
664.21173	10.6
665.22284	7.3
666.22797	3.8
678.22516	1.0
679.23389	2.4
684.27631	1.5
685.22644	1.8
696.23822	7.9
697.24744	5.0
703.24243	2.1
723.25922	3.0
751.26013	16.7
769.27130	26.5
770.27246	2.1
773.16827	1.4
773.30145	19.3
774.30994	7.0
775.31183	1.8
787.28131	23.2
801.29352	3.1
805.32031	3.6
806.32410	1.2
808.24921	1.8
809.26886	5.7
819.30267	6.0
826.26917	4.8
827.27179	7.9
841.28406	2.4
858.28528	1.5
859.30090	1.3
931.31171	2.0
949.33411	5.9
981.34485	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08029	0.5
71.95266	1.4
72.95998	0.9
73.43807	0.3
74.59772	0.2
74.97576	0.4
84.95985	1.1
91.05465	0.4
93.32379	0.2
95.04916	0.3
97.96776	0.3
98.97537	0.5
104.10685	0.4
105.00092	0.7
109.39343	0.2
110.97568	1.8
115.00702	0.3
123.01158	0.9
124.99151	0.3
125.00023	0.3
128.98666	1.5
129.02190	0.9
131.00124	0.6
133.01707	0.4
137.02687	0.9
141.02167	1.0
143.00114	0.5
145.01697	0.3
146.99586	0.8
147.03215	0.9
151.00632	1.0
153.02179	0.9
155.03778	0.6
157.01698	0.6
158.52058	0.3
159.03278	0.9
162.36433	0.2
165.02174	0.4
167.03763	1.1
169.01698	0.8
169.05376	0.2
171.03317	1.8
175.02856	0.4
175.04254	0.3
177.04276	0.4
179.03764	0.7
181.01624	0.4
181.05319	0.5
183.03221	1.0
184.00430	0.5
184.07196	0.3
185.04878	2.2
187.02779	0.3
189.04294	0.8
191.03807	0.5
191.05766	0.3
193.03745	0.2
193.05377	0.6
194.33234	0.3
195.03232	0.6
195.06973	0.4
197.04880	1.5
199.06425	1.6
201.04370	0.4
202.01431	1.0
203.05881	1.5
205.01785	0.4
205.05363	0.8
205.07336	0.4
207.06926	1.1
209.04849	0.4
211.06436	1.2
213.04324	0.4
213.07964	0.7
215.05779	0.3
217.05371	0.6
217.07416	1.5
219.06972	1.4
221.04944	0.3
221.08539	0.4
223.02736	0.4
223.06378	0.6
225.07991	6.2
227.09494	0.4
229.07336	0.7
231.06914	0.5
231.09013	0.6
232.49881	0.2
233.08401	0.7
235.06393	1.0
235.10008	1.5
237.07976	4.9
239.05917	0.3
239.09561	1.7
242.21671	0.3
243.09067	3.5
245.08485	0.5
247.10101	0.4
248.09692	0.5
249.04305	0.3
249.07957	0.7
251.05998	0.5
251.09468	1.9
253.11116	7.5
255.09027	2.1
257.08398	0.5
257.10776	0.3
260.09665	0.4
263.09479	1.4
266.10760	0.4
267.09100	0.4
269.10632	0.7
271.12329	2.6
273.11673	0.7
275.09476	2.2
276.12772	0.8
277.11191	0.4
281.10666	0.5
283.13593	0.3
287.13040	0.4
289.11041	0.5
291.09360	0.4
291.12589	2.1
293.10620	1.3
295.12369	0.4
301.14777	0.7
303.16299	0.6
305.14221	0.5
307.12238	0.4
309.13809	0.3
311.13098	0.4
319.15723	0.5
321.17654	0.4
329.14224	26.2
347.15289	85.6
348.15656	1.0
365.16360	39.5
366.16547	0.5
370.16916	5.0
383.17450	0.5
388.17932	6.2
389.18265	0.4
637.24060	0.2
637.34113	6.9
655.35156	100.0
656.35870	1.4
915.00958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	61.9
69.03434	20.6
69.07069	23.3
70.21746	6.7
71.04990	7.3
73.02917	7.8
77.03929	2.5
78.22866	1.6
79.05497	50.8
81.03413	26.8
81.07060	61.3
83.04976	8.4
83.08615	15.1
84.90674	1.6
85.02907	27.5
85.06542	2.8
86.09705	2.2
91.03941	7.3
91.05482	51.7
93.07047	52.8
95.04984	9.7
95.08607	38.9
97.02897	26.9
97.06530	16.3
97.10181	8.9
98.20876	2.3
99.04440	4.5
99.08093	3.6
101.02360	2.6
103.03969	2.0
105.07033	52.4
107.04956	7.9
107.08599	33.2
107.17151	2.1
109.02868	9.7
109.06491	4.0
109.10164	21.4
111.04405	3.3
111.08088	5.0
115.05449	3.1
117.07024	23.4
119.08584	35.3
119.09445	1.9
121.06519	5.6
121.10152	21.1
123.04431	1.9
123.08070	3.9
123.11688	7.3
125.09660	7.9
127.03914	10.8
128.06227	6.0
129.05463	3.7
129.07013	23.0
130.07849	2.2
131.08569	34.9
133.10127	27.4
135.08046	5.4
135.11705	11.6
137.09656	5.6
141.06973	9.4
142.07756	4.2
143.08565	24.8
145.06445	4.9
145.10114	29.0
147.08028	4.8
147.11674	21.7
149.09665	9.3
149.13295	8.6
151.11191	2.7
154.07693	3.9
155.08571	16.7
156.09218	1.8
157.10150	20.9
159.08066	2.2
159.11707	22.1
161.05885	2.0
161.09602	2.8
161.13268	9.4
163.11168	5.8
165.07057	2.0
165.12749	2.5
166.07823	2.0
167.08580	7.0
168.09431	2.1
169.10129	19.1
171.07935	2.7
171.11678	21.2
173.04453	9.7
173.09608	4.0
173.11848	3.0
173.13184	14.6
175.11153	3.6
175.14799	4.5
177.12704	4.1
179.08531	3.3
181.10165	8.6
183.11690	16.1
184.07376	6.7
185.09579	2.8
185.13289	12.3
187.11252	2.8
187.14803	4.1
188.31125	1.7
189.11145	2.3
191.14334	1.9
193.10057	3.5
195.11813	7.8
197.13272	13.5
199.11359	1.8
199.14799	9.7
201.16367	3.4
207.11639	3.1
208.12221	1.7
209.09427	2.0
209.13274	7.5
211.14780	6.2
212.08250	1.9
213.12624	2.8
213.16422	4.2
215.17961	2.5
220.12318	1.5
221.13336	4.3
223.14816	6.6
225.12885	2.3
225.16409	4.5
227.12790	5.5
227.18062	2.7
229.14232	4.0
233.13252	3.3
234.13983	2.0
237.16466	2.4
239.17966	4.6
241.19513	3.2
249.16472	2.4
251.14539	1.8
251.18031	4.3
257.19006	5.0
258.49591	1.8
259.18097	1.9
259.20569	12.0
265.19565	2.7
267.16000	3.6
269.17563	4.0
271.20758	1.8
273.18567	3.5
275.20145	13.8
279.21173	1.8
285.22324	1.9
301.21609	3.2
321.21973	2.1
333.24222	10.6
335.25864	3.5
339.23462	3.2
347.22528	1.8
349.24335	8.1
351.22974	3.2
367.22366	2.3
379.30142	2.7
400.54926	1.8
413.21802	2.4
421.30948	2.0
435.32455	2.1
499.34665	2.1
509.36032	2.9
513.35736	16.3
515.38141	8.5
524.71594	2.0
525.35114	2.2
527.37256	19.7
533.39630	5.4
541.38586	1.8
543.36719	2.3
545.38129	2.4
551.40643	5.0
579.35846	2.0
589.43079	2.4
597.45282	3.7
607.43616	62.7
625.44678	100.0
626.44287	2.4
635.39307	5.7
637.43890	2.6
649.44275	5.5
653.39960	5.7
671.41217	6.9
689.42798	10.1
715.45239	2.8
733.46588	5.4
751.47449	5.0
769.48041	11.9
787.49890	11.6
877.50989	2.2
949.54425	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	933.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	0.5
67.05507	12.0
69.03429	8.2
69.07060	5.1
71.01353	1.2
71.05004	1.2
71.57528	0.4
73.02916	6.7
77.03902	0.3
79.05490	7.7
79.84082	0.3
81.03426	3.8
81.07059	12.2
82.19861	0.3
83.01375	0.5
83.04985	1.5
83.08619	2.9
85.02905	18.6
85.06547	0.7
86.09691	0.6
87.04468	0.6
91.03954	10.5
91.05481	8.5
93.07040	9.3
93.59890	0.3
95.04981	1.4
95.08610	9.2
97.02889	16.7
97.06535	1.2
97.10172	1.8
99.04449	1.7
101.02373	2.3
103.05486	0.4
105.07028	7.5
107.04930	0.7
107.08595	6.2
109.02917	1.7
109.06530	1.1
109.10159	5.0
111.08083	0.7
115.03936	1.0
117.07022	4.2
119.08587	7.0
121.10130	3.4
123.08086	0.7
123.11715	1.2
124.99995	0.6
125.09641	1.0
127.03923	4.8
128.06252	1.2
129.07004	5.7
130.07849	0.5
131.08557	7.2
133.10143	4.6
135.08038	0.4
135.11684	2.4
137.09695	0.3
137.13219	0.6
141.06995	3.0
142.07802	1.1
142.52763	0.3
143.08560	7.3
144.09412	0.4
145.04967	3.7
145.10118	7.1
147.08052	0.3
147.11693	3.3
149.09596	0.5
149.13266	1.1
153.07011	1.1
154.07759	0.5
155.08556	5.8
156.09338	1.1
157.10132	7.1
158.10939	0.4
159.08116	0.4
159.11682	4.9
161.13272	1.8
163.06047	1.4
163.14832	0.5
165.07050	0.8
166.07845	0.7
167.08556	3.8
168.09398	1.1
169.10133	7.5
170.10896	0.5
171.11699	6.0
172.12474	0.4
173.13237	3.0
175.11351	0.4
175.14833	0.6
179.08533	2.0
180.09306	0.7
181.10129	4.2
181.96007	0.3
182.10895	0.7
183.11688	7.3
184.07365	2.6
184.12396	0.4
185.13257	4.7
187.14836	2.1
189.16423	0.8
193.10107	2.2
194.10924	0.7
195.11700	4.6
197.13261	5.6
199.14818	3.2
201.16429	1.0
203.17891	0.4
205.10078	0.8
207.11713	2.6
208.12480	0.6
209.13274	4.9
211.14832	3.3
213.16399	1.7
215.17932	0.6
219.11732	1.0
221.13342	1.5
223.14824	3.1
225.16376	2.7
227.18102	1.0
229.19443	0.5
233.13258	0.8
235.14775	1.8
237.16432	2.1
239.18060	2.0
241.19708	0.7
247.14897	0.8
249.16405	1.2
251.18004	1.5
253.19572	1.1
255.21278	0.5
261.16473	0.7
263.18088	0.7
265.19537	1.1
267.17444	0.5
267.21213	0.6
275.17999	0.6
277.19571	0.5
279.17599	0.6
285.22144	0.4
291.21298	0.5
293.19049	0.4
293.22287	0.4
295.20551	0.5
297.18588	0.5
305.22488	0.5
309.22141	0.5
311.26120	0.6
321.22168	1.0
323.23532	0.8
325.21811	0.6
325.25366	0.7
337.25235	0.7
339.26941	0.5
347.23593	0.4
349.25308	1.0
351.26871	0.9
365.28333	0.6
377.28415	0.6
379.30496	0.5
393.31741	0.5
447.32346	0.6
457.33954	0.4
475.33923	0.4
485.33044	0.5
493.33691	0.4
495.35291	0.4
499.39853	0.7
501.35791	1.0
503.34625	0.4
513.35657	0.5
515.37994	0.9
517.40375	3.6
525.35907	0.5
527.37628	0.7
529.39722	0.4
535.41443	1.4
539.37329	1.6
540.38171	0.4
541.39380	0.7
553.39844	0.5
573.43311	0.8
591.43982	5.3
607.43372	2.4
609.45123	100.0
610.45270	2.3
611.46844	0.6
621.45135	1.8
627.45325	0.4
633.45215	1.4
645.44855	0.4
651.46295	2.3
675.46301	0.8
699.45905	0.9
717.46680	2.1
735.48419	2.6
753.49292	3.6
771.50372	29.0
772.50623	0.6
780.49255	0.4
783.49310	0.5
870.53766	0.4
933.55658	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	932.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.6
67.05506	54.7
68.93955	0.8
69.03422	5.1
69.06725	1.4
69.07071	21.0
69.73285	4.4
69.96296	0.8
70.33321	0.7
71.05000	3.7
73.02901	2.4
73.06539	1.6
73.41329	0.7
74.27303	0.8
77.03921	1.2
77.45270	0.9
79.05495	72.8
81.02979	1.0
81.03421	11.9
81.07057	56.3
83.04989	13.0
83.08617	10.3
85.02898	7.1
85.06537	3.7
86.09604	0.9
91.03937	3.7
91.05483	58.5
93.07046	69.4
95.04967	18.6
95.08611	32.2
95.09233	1.1
97.02877	5.6
97.06537	15.0
97.10168	11.6
99.04467	2.5
99.08067	1.7
103.05433	2.1
105.04509	2.8
105.07032	51.2
107.04960	11.0
107.07863	1.7
107.08593	33.0
109.06513	8.4
109.10144	11.5
111.04460	1.1
111.08099	4.4
111.08749	0.8
113.09651	1.7
115.05460	2.5
117.07018	16.6
119.04921	0.9
119.08583	29.9
121.06503	4.9
121.10149	11.5
123.08105	4.9
123.11687	2.6
125.09633	9.2
127.03897	2.8
127.07523	1.4
128.06194	2.5
129.05486	1.1
129.06999	16.7
130.07765	1.0
131.08574	16.0
131.60735	0.8
133.06485	2.1
133.10138	19.0
135.08023	4.1
135.11710	8.8
136.09804	0.8
137.05956	0.8
137.09592	2.6
139.07507	1.2
141.06990	2.8
142.07800	1.0
143.08566	10.8
145.04892	1.0
145.10126	21.7
147.04340	0.8
147.08034	3.0
147.11685	36.9
149.09637	10.6
149.13303	4.5
151.11188	1.3
153.09088	1.3
155.08525	2.2
156.09282	1.3
157.10123	3.2
159.11661	9.6
161.09650	4.3
161.13251	11.1
163.11189	7.8
165.09096	1.1
165.12817	0.9
169.10097	3.3
171.10358	0.8
171.11676	21.3
173.04477	2.3
173.09579	0.9
173.11832	1.3
173.13176	3.9
175.11201	1.1
177.12761	2.6
179.14293	3.1
183.11716	1.8
184.07336	1.2
184.95332	0.9
185.13167	1.5
187.11131	1.4
187.14847	1.5
189.11215	3.8
189.12726	9.0
191.14279	1.2
195.13823	1.8
197.13293	1.1
199.11226	0.9
201.12671	1.2
207.13818	24.0
211.14796	1.0
217.15916	1.0
225.14822	1.8
227.12790	15.0
229.14397	1.5
229.19493	2.5
239.18005	2.5
245.13724	0.8
247.20511	1.8
255.15831	2.1
257.19000	7.7
269.17453	5.8
275.20084	33.3
276.20331	1.0
279.15881	2.2
281.17480	77.1
293.21075	3.9
320.32275	0.8
331.22684	4.9
349.23758	26.9
367.24719	1.3
377.23117	2.5
384.18481	0.8
435.27515	9.5
447.31049	1.5
451.20892	1.4
451.26837	11.3
457.29404	1.8
459.31094	1.3
461.29037	17.1
463.32278	0.8
475.30554	80.8
476.30872	1.2
491.30011	1.0
515.33563	1.4
527.37219	2.3
537.35803	7.3
555.36841	100.0
556.37097	3.1
573.37958	13.3
574.37476	1.0
595.31110	2.1
619.34637	5.4
717.42175	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5604
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05473	0.8
69.03418	0.4
69.07050	0.6
70.06529	0.3
71.56037	0.4
71.95261	0.7
74.97600	0.5
78.19004	0.3
79.05454	0.6
80.41087	0.3
81.03378	0.5
81.06998	1.1
84.96001	0.6
85.02883	0.6
86.09674	0.6
91.05478	0.7
93.06993	0.6
95.08572	0.5
97.56860	0.4
98.97559	0.9
105.06992	0.9
107.08569	0.7
109.10113	0.4
110.97526	1.3
112.99091	0.5
115.45625	0.3
116.98505	0.5
117.06985	0.4
121.10065	0.3
128.98561	1.5
131.00134	0.6
131.08496	0.5
131.14400	0.4
139.00610	0.5
146.99652	0.8
149.01208	0.5
151.00574	0.5
167.03697	0.4
171.03256	1.6
173.73253	0.4
181.05312	0.7
184.07236	0.5
185.04843	3.0
189.04291	1.1
197.04779	0.4
199.06407	6.3
201.04315	0.6
203.05922	2.4
205.01674	1.1
205.07484	0.8
206.02707	0.4
208.04254	0.4
210.01952	0.6
211.06433	0.9
213.07944	0.6
215.02527	0.5
217.07468	4.7
219.03291	1.8
219.09175	0.4
222.08011	0.5
223.02821	2.4
223.06348	0.9
225.07925	0.5
226.05179	1.7
227.05841	0.7
229.07314	0.5
231.06851	0.7
231.09018	0.6
237.04350	4.3
237.08067	0.5
239.09506	0.8
241.07605	0.5
241.10991	0.4
251.05911	1.0
251.09575	0.5
252.06586	0.6
253.11134	1.0
255.05386	0.4
255.09081	0.9
258.03928	0.5
262.08743	2.2
265.07455	0.5
267.09021	2.9
269.10550	0.5
278.08163	0.9
279.09076	1.5
280.09827	3.6
281.10510	1.1
281.17691	0.4
283.12317	0.4
285.10165	0.8
289.14648	0.5
293.10675	0.5
296.09418	0.4
297.10263	0.5
298.10739	0.6
307.15860	2.1
313.14886	0.4
325.16479	0.5
329.14130	2.1
331.15765	35.9
332.16208	0.4
347.15335	4.9
349.16855	100.0
350.17230	1.6
365.16339	2.1
367.17987	2.5
370.16901	0.7
372.18454	14.9
373.18887	0.6
439.72922	0.4
442.06686	0.4
572.36816	0.6
623.36182	64.5
624.36505	1.3
639.35657	41.2
640.36047	1.5
722.19122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.6598
Annotation	Unknow
Peak:m/z	Relative Intensity
71.46793	0.2
71.95206	1.8
72.95983	0.8
74.97580	0.4
81.07001	0.5
84.95974	0.8
91.05417	0.4
95.08607	0.3
97.91223	0.2
97.96757	0.6
98.21561	0.7
98.97520	0.9
105.00134	0.3
105.06963	0.3
107.08549	0.3
110.97557	2.5
115.97842	0.4
116.98578	0.3
123.01139	0.6
125.05972	0.3
128.98610	3.1
137.02705	0.6
143.00124	0.5
146.99678	1.5
153.02258	0.4
155.03748	0.4
161.01143	0.8
165.00523	0.3
167.03773	0.2
167.96507	0.2
171.03267	0.7
171.89436	0.3
175.02740	0.5
179.07359	0.3
185.04846	0.5
189.04266	0.7
191.05907	0.4
197.04822	0.3
199.06451	0.4
203.05783	0.6
205.07417	0.6
217.07507	0.4
235.06339	0.3
237.10025	0.4
239.09427	0.3
241.10887	0.3
245.08478	0.3
249.07901	0.4
251.09462	0.4
252.10278	0.2
259.10028	0.3
263.09552	1.5
265.11075	0.3
273.11331	0.3
277.11160	1.5
278.11945	0.3
291.12506	0.9
292.13354	0.4
297.13541	0.3
300.21011	0.3
315.16348	1.0
317.17865	42.6
318.18164	0.7
333.17316	2.0
335.18930	100.0
336.19250	1.1
353.20001	25.6
358.20535	19.5
359.20642	0.6
371.21170	1.8
376.21567	5.3
399.23260	0.5
595.40356	38.6
596.40546	0.5
613.41364	12.9
614.41699	0.3
616.61298	0.3
631.33331	0.4
631.42566	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	921.6126
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94337	0.4
69.94731	0.5
70.06486	0.6
71.95151	1.7
72.95937	0.8
74.97502	0.6
79.05413	0.3
81.07002	0.2
84.95927	1.4
86.09590	0.8
86.10070	0.3
93.17688	0.2
96.11359	0.2
97.96767	1.2
97.99088	0.4
98.20831	0.3
98.97456	0.9
99.98238	0.2
105.00074	0.3
110.97561	5.6
112.99052	0.5
115.97771	0.4
116.98542	0.5
119.01681	0.4
121.96342	0.2
123.01088	0.5
124.99028	0.4
127.00585	0.4
128.98605	5.9
131.00105	0.3
132.79535	0.2
137.02626	0.5
141.02110	0.3
143.00165	1.5
143.03662	0.4
146.99657	2.7
151.00618	0.2
151.04300	0.2
152.00027	0.6
152.01196	0.2
153.02103	0.3
155.03709	0.4
157.01633	0.3
159.09085	0.2
161.01193	1.3
161.04779	0.3
167.03720	0.3
169.01649	0.3
169.05351	0.3
169.09622	0.3
170.01151	0.3
171.03290	1.4
172.03983	0.2
175.02718	1.0
175.06229	0.2
181.01672	0.2
183.03262	0.4
185.04858	1.1
188.03441	0.3
189.04343	1.0
190.05013	0.6
195.06767	0.3
199.06311	0.3
203.05934	1.2
204.06580	0.3
205.07372	0.4
208.06253	0.3
211.14398	0.3
212.88919	0.2
213.07909	0.3
219.08966	0.5
221.04756	0.3
221.08504	0.3
223.06424	0.3
224.07117	0.2
226.08818	0.3
227.09390	0.6
234.08975	0.2
240.10361	0.3
241.11131	1.7
245.08435	0.7
245.10664	0.4
249.07791	0.3
252.10434	1.3
259.12207	1.3
263.09561	3.7
264.10236	0.8
265.11188	0.6
270.11325	0.7
277.11011	0.8
281.10492	0.7
285.11649	0.5
286.11182	0.4
289.10995	0.7
291.12772	0.5
299.13403	0.3
303.12668	2.5
304.13196	0.2
305.14130	0.2
313.14856	0.8
315.16287	57.3
316.16751	0.8
317.14279	0.4
321.13779	0.3
326.14133	0.3
331.15735	2.4
333.17355	100.0
334.17703	1.3
347.18842	0.2
347.71680	0.2
349.16809	0.3
351.18417	45.4
352.18927	0.6
354.17474	0.4
356.18976	13.1
357.19257	0.7
369.19650	0.6
374.20026	8.1
375.19992	0.3
591.37201	16.2
592.37793	0.4
609.38275	12.6
627.39240	8.8
627.49255	0.4
836.62872	0.2
859.06653	0.2
921.48145	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	1.5
68.07327	1.0
69.99026	5.4
76.68877	1.0
81.07063	2.3
91.05512	1.9
93.07071	1.6
95.42724	1.5
98.82009	1.1
107.08570	1.3
122.61335	1.0
124.13802	1.1
145.10194	1.1
169.93884	1.1
203.85353	1.0
239.15524	1.3
291.19891	1.5
368.90958	1.1
417.21198	1.2
433.23837	3.8
441.20624	1.2
445.20270	3.5
454.17477	1.4
455.18835	2.3
456.22968	1.7
459.21710	34.6
460.22269	9.1
461.23447	4.2
468.19183	1.3
469.20544	4.4
470.21066	2.2
473.23505	2.2
483.21661	16.8
483.27252	1.2
484.22824	5.7
485.23456	2.3
497.23639	1.2
499.25177	1.8
505.26205	1.6
511.25720	1.2
512.26379	1.2
513.26495	1.2
519.23737	9.2
531.24115	3.6
546.26379	3.3
547.26959	27.8
563.26733	1.6
566.30432	1.5
571.27283	1.8
572.28174	1.7
574.26031	3.5
585.28809	2.2
591.26135	2.3
599.30377	1.5
606.28363	75.0
607.28577	6.3
630.28143	7.7
659.32410	1.8
837.45746	2.7
840.31604	1.2
897.47980	100.0
898.48114	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	908.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
66.18648	1.4
69.03425	2.0
70.06599	2.3
71.01425	1.6
82.06583	30.7
84.04504	22.9
84.08157	4.5
92.77483	1.4
96.04491	15.5
97.02892	3.3
98.06036	8.8
102.05530	3.9
108.51082	1.5
109.02911	4.4
110.06017	1.8
116.07083	6.9
126.05513	27.0
127.03983	1.6
128.07085	95.4
129.06624	1.8
130.05026	2.1
138.05508	100.0
144.06572	22.4
145.09698	2.6
168.06554	22.9
173.09229	71.9
185.09206	21.1
186.07631	13.4
193.09689	3.6
204.08653	8.1
211.10721	2.0
230.11378	5.5
239.10272	20.5
248.12411	23.1
257.11288	2.6
284.12415	4.2
301.14081	9.2
302.13461	40.0
314.13666	3.3
329.13492	6.7
347.14578	1.5
377.16602	21.8
377.21027	2.0
427.18039	2.6
445.19415	9.1
496.19028	3.8
520.22510	16.8
532.21790	2.1
612.25104	2.2
630.25964	10.5
705.29419	69.2
706.29254	2.0
908.37512	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	892.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	4.1
67.05506	35.7
69.03423	6.7
69.07069	22.2
69.42274	5.7
71.04990	3.7
73.02916	4.5
77.03909	1.2
79.05493	37.6
81.02927	1.1
81.03417	36.5
81.07055	37.2
82.21575	0.9
83.04981	7.7
83.08616	12.7
85.02908	8.3
85.06550	2.1
87.18432	0.9
91.03963	3.7
91.05480	46.1
93.07047	29.9
95.04957	14.3
95.08611	16.6
97.02893	9.8
97.06535	8.1
97.10162	8.3
99.08117	1.3
101.02397	1.3
103.05454	2.2
105.04523	1.1
105.07031	28.1
107.04949	8.4
107.08591	19.9
107.09295	1.3
109.02905	1.0
109.06519	4.2
109.10163	7.1
111.04415	1.2
111.08083	6.1
115.05484	3.0
117.07028	9.6
119.04960	8.1
119.08582	17.9
119.09444	0.9
121.06528	4.0
121.10149	12.7
123.04433	7.4
123.08068	2.9
123.11720	1.9
125.09645	6.4
127.03919	1.9
128.06235	1.9
129.07013	9.8
131.04964	2.8
131.08563	14.7
133.06476	7.3
133.10141	14.4
135.04437	7.9
135.08060	2.8
135.11691	4.9
136.06230	2.1
137.05974	49.1
137.09630	2.0
141.07011	2.5
142.07797	1.9
143.04930	1.6
143.08585	3.7
145.06477	6.9
145.10135	4.4
147.04424	10.3
147.08032	5.3
147.11687	10.7
148.05135	1.0
149.05974	8.0
149.09625	12.9
149.13335	1.3
151.07590	1.6
151.11159	1.5
154.08669	2.4
155.08534	2.9
157.06520	3.7
157.10155	7.8
159.08015	4.9
159.11713	3.5
160.05133	1.1
161.05978	15.7
161.09587	1.5
161.13322	1.5
163.07516	6.4
163.11267	3.0
164.07072	2.0
165.05524	2.0
165.12737	1.5
169.06506	1.8
169.10193	2.3
171.08061	3.4
171.11673	2.1
173.06003	10.5
173.09557	2.1
173.13272	1.8
175.07529	11.6
175.08817	1.1
175.11176	6.8
176.07138	1.0
177.09184	2.0
177.12779	1.6
179.14352	1.1
181.06534	1.4
183.08099	3.0
185.05966	2.1
185.09572	1.3
187.07532	12.3
187.11188	1.8
189.05592	2.1
189.09163	4.1
189.11165	1.5
191.07161	1.3
193.12247	14.3
193.13863	1.1
195.08087	1.7
195.11900	1.0
195.13870	1.7
197.05937	1.0
197.09702	2.4
199.07533	4.2
201.09091	4.5
203.07086	1.4
207.08185	1.1
209.09758	0.9
211.11343	2.0
211.13197	8.3
211.14915	0.9
213.09184	2.3
215.10748	2.3
227.10773	1.4
227.12834	1.0
229.12341	0.8
237.12778	1.0
239.10768	1.0
239.14209	0.8
241.12424	1.1
243.10098	0.8
257.15405	9.1
267.13788	1.6
273.14972	1.3
275.20099	4.1
285.14862	12.0
301.18106	1.8
302.17508	14.1
303.15854	5.8
311.16562	3.8
323.16458	1.1
328.19177	2.5
329.17484	12.6
341.17694	1.9
344.18719	1.3
346.20123	20.1
347.18341	5.4
349.23987	2.8
358.20392	1.5
369.70490	0.9
374.19705	1.1
376.21445	1.9
385.20166	1.7
402.22974	2.1
420.23639	6.6
438.24814	1.6
498.28903	2.4
516.29553	1.6
572.32562	2.4
590.33093	1.3
592.34863	1.4
600.35645	3.7
614.36877	9.6
616.38501	2.1
618.36749	3.7
632.37970	7.8
655.50153	1.0
684.44739	1.6
694.42938	6.0
712.44153	100.0
713.44861	2.7
730.45129	39.5
731.46216	1.0
752.38623	3.0
754.44452	1.7
758.41931	1.3
762.40887	4.4
776.42169	7.3
780.41821	1.7
790.45264	1.8
794.42633	1.9
820.46613	2.2
838.47052	6.0
856.48596	8.7
874.49475	50.5
875.49677	2.9
877.29816	0.9
892.50476	84.3
893.50525	3.5
919.94574	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
64.51008	0.7
65.03944	2.6
67.05504	32.0
68.71591	0.7
69.03436	5.4
69.07072	19.9
71.01360	1.3
71.04990	3.0
71.07855	1.0
71.08221	1.8
73.02902	4.1
77.03938	1.3
79.05492	36.2
81.03418	30.5
81.07056	32.6
81.07527	1.8
83.04967	7.7
83.08620	12.5
85.02900	7.6
85.06543	3.0
91.03951	2.9
91.05480	45.4
93.07044	28.3
93.07631	1.5
95.04973	14.6
95.08611	16.5
97.02888	8.4
97.06552	7.2
97.10159	7.9
99.04465	0.9
99.08077	1.3
101.02409	1.2
103.05483	1.4
105.04523	1.0
105.07031	25.6
107.04955	7.7
107.08595	19.5
109.02908	1.0
109.06516	5.1
109.10169	8.3
111.08090	5.1
115.05453	4.3
117.07020	9.4
119.04974	6.9
119.08585	17.4
121.02939	0.9
121.06480	4.3
121.10155	10.7
123.04424	6.4
123.08082	3.4
123.11740	2.2
125.09617	3.8
126.50190	0.8
127.03918	1.1
128.06213	1.2
129.07016	9.3
131.04951	2.2
131.08575	14.5
133.06502	6.1
133.10146	13.0
135.04419	5.5
135.08072	3.2
135.11737	4.4
136.06175	7.1
137.05975	47.2
137.09645	2.4
141.07014	1.4
142.07799	1.7
143.04883	1.5
143.08612	2.2
145.04951	0.9
145.06531	5.3
145.10114	6.8
147.04413	6.3
147.08058	5.1
147.11688	11.0
149.05997	6.7
149.09618	11.1
149.13269	1.9
151.11220	1.3
154.08685	1.7
155.08604	2.2
157.06526	4.3
157.10094	7.3
159.08037	4.6
159.11743	3.6
161.05988	14.7
161.09673	2.3
161.13321	2.2
163.07538	7.1
163.11177	2.0
164.07080	1.6
165.05510	1.7
165.12798	2.4
169.10150	0.9
171.08037	4.0
172.07562	1.3
173.05988	9.9
173.09650	2.0
173.13315	1.4
175.07549	11.7
175.08975	0.8
175.11143	6.1
177.05618	1.1
179.14333	1.0
181.06497	1.0
183.08177	2.1
183.11676	0.9
185.06036	2.2
185.09692	1.5
185.13264	1.3
187.07559	11.0
187.08954	1.0
187.11089	1.3
189.09174	3.6
189.11241	1.2
191.07091	1.0
193.12279	13.1
195.08121	1.8
195.13866	1.2
197.09694	2.7
197.13452	0.9
199.07574	4.1
199.09433	0.7
199.11375	1.2
201.09052	3.8
203.07117	1.4
203.10713	1.1
209.09700	0.7
211.07677	1.2
211.13243	7.1
213.09227	2.3
215.05067	0.8
215.10748	1.5
217.08572	1.3
225.09166	1.5
227.10680	1.6
227.12895	1.8
239.10623	1.1
239.14352	1.2
241.12199	0.8
257.15396	10.9
257.19083	1.0
267.13757	1.9
275.20172	3.7
285.14835	8.1
297.14856	1.0
301.18115	1.9
302.17520	13.6
303.15894	6.6
311.16394	3.7
323.16431	1.1
327.16089	0.8
328.19174	3.4
329.17517	14.7
341.17743	2.1
344.18716	1.2
346.20135	23.7
347.18506	3.7
349.23798	3.0
356.18500	1.1
358.20441	1.1
367.24854	0.8
376.21191	1.3
385.20584	1.1
391.47018	0.8
402.22672	1.9
420.23846	7.7
438.24716	1.7
442.26221	0.9
498.28702	1.9
516.29694	2.4
524.31934	1.0
529.29785	1.1
572.32349	2.5
582.29474	1.3
590.33197	0.9
600.35211	4.7
614.36859	6.6
616.38306	2.3
618.36407	3.3
632.37976	8.6
654.40607	1.3
684.45319	1.4
694.43207	8.0
695.41461	1.3
712.44177	100.0
713.44788	2.9
730.45129	39.7
731.45013	1.7
752.38702	2.2
754.45856	2.1
762.40576	3.6
776.41791	5.4
778.44189	1.1
780.41638	2.0
790.44983	1.7
794.43237	2.4
820.47229	2.4
838.47467	5.0
856.48224	8.1
874.49390	53.6
875.50482	2.7
892.50482	79.7
893.50549	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	890.489
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33550	0.5
65.03846	1.1
65.04137	0.6
67.05389	15.0
67.05791	3.0
67.06000	0.6
69.03312	4.7
69.03714	0.8
69.06948	8.4
69.07359	1.6
70.61483	1.7
71.04865	1.8
71.05236	0.9
73.02799	1.3
73.03159	0.6
77.16994	0.4
79.05366	15.1
79.05875	2.2
80.49158	0.5
81.03291	16.8
81.03820	2.5
81.06923	13.1
81.07449	1.9
83.04853	4.0
83.08488	5.8
83.09040	1.2
85.02772	3.4
85.03321	1.2
85.06441	0.6
86.09593	0.7
91.03827	1.4
91.05344	21.7
91.05975	2.4
93.06904	12.7
93.07540	1.5
95.04826	8.1
95.05471	0.9
95.08466	6.9
97.02750	6.5
97.06390	3.0
97.10035	4.8
103.05345	1.2
105.04391	0.6
105.06879	12.6
107.04807	5.9
107.08447	9.9
107.09225	0.8
109.02739	0.8
109.06363	2.6
109.10011	6.2
109.10838	1.1
111.04346	1.2
111.07920	2.7
113.05875	0.6
115.05334	1.1
117.06857	4.5
119.04781	4.4
119.05664	1.0
119.08421	8.1
121.06350	2.3
121.09978	6.3
123.04431	4.7
123.07915	2.3
123.11549	0.8
125.09626	3.9
128.06052	1.5
129.06841	5.4
131.04762	1.4
131.08395	7.6
133.06474	4.1
133.10133	6.6
134.05894	0.6
134.07195	0.5
135.04253	3.2
135.08070	2.4
135.11523	1.8
136.06165	2.9
137.05983	23.7
137.06926	1.4
137.09421	1.2
141.06860	1.0
142.07626	0.8
143.04909	0.5
143.08395	1.5
145.06462	3.4
145.09941	2.7
147.04416	5.3
147.08084	3.3
147.11673	4.7
149.05975	4.4
149.09628	4.6
149.13145	0.8
150.05379	1.0
151.06223	0.9
151.07378	1.0
151.11000	1.5
152.06926	0.8
155.08507	0.9
157.06311	1.8
157.10138	3.7
159.07881	2.2
159.11499	1.8
161.06000	9.4
161.07275	1.2
161.09471	1.3
163.07542	4.2
163.11020	1.5
164.07001	1.1
165.05388	0.6
169.06354	1.1
169.09976	0.8
171.07877	1.7
171.11470	0.6
173.06003	4.5
173.09468	1.2
173.13130	0.7
175.07527	5.4
175.11192	3.8
177.08990	1.2
177.12636	1.1
183.07996	0.8
184.07230	1.1
185.05798	0.6
185.09441	1.0
187.07552	5.8
187.11003	0.7
189.05374	0.8
189.09167	2.4
189.10646	0.6
193.12222	6.1
197.09465	0.6
199.07381	1.6
200.82654	0.5
200.84561	0.5
201.08939	2.3
205.12132	1.0
209.09529	0.9
211.11238	0.7
211.13078	3.2
213.08965	1.7
215.10550	1.0
218.07925	0.6
223.13293	7.4
227.10532	0.6
238.48383	0.5
257.15396	5.9
267.13416	0.7
273.18555	2.8
277.64624	0.5
285.14838	4.3
291.19550	16.4
302.14853	0.7
302.17554	7.5
303.15793	3.2
311.16193	1.7
328.19031	1.2
329.14081	0.6
329.17480	7.5
341.17355	0.9
344.18408	1.8
346.20151	6.9
347.18484	1.0
359.17618	0.8
365.23071	2.0
376.21136	1.2
402.22736	1.0
403.21313	0.9
420.23779	4.3
438.24408	1.2
582.28760	1.1
630.36432	1.6
692.41425	0.9
710.42834	9.1
711.41144	0.9
716.25031	0.5
728.43646	90.8
729.43872	2.1
770.44916	1.1
806.44928	0.9
836.45734	1.8
854.47192	3.6
872.47784	7.1
890.48956	100.0
891.48993	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	882.542
Annotation	Unknow
Peak:m/z	Relative Intensity
63.86302	0.7
65.36691	0.5
65.47845	0.5
67.05173	1.0
67.05504	13.0
69.03425	3.1
69.07066	6.4
69.71634	1.9
69.72041	1.5
71.04984	2.1
71.08633	14.5
73.02910	2.3
73.23082	0.6
76.94464	0.6
79.05067	0.8
79.05492	10.6
81.03419	28.5
81.07057	19.2
83.04980	6.6
83.08616	17.4
85.02905	19.8
85.03317	0.4
85.03423	0.7
85.06531	1.2
85.10180	7.2
86.09695	2.4
87.04473	1.5
89.06017	1.0
89.46954	0.6
91.03960	4.1
91.05487	12.8
93.07044	6.9
95.04966	12.0
95.08610	14.3
97.02885	4.8
97.06515	2.4
97.10164	4.7
105.07037	9.0
107.04966	3.3
107.08585	3.2
109.06522	1.6
109.10157	6.0
111.04454	0.6
111.08087	5.3
113.06039	0.9
114.38589	0.6
115.05489	1.3
117.07016	0.8
119.08592	8.6
121.06532	0.8
121.10118	5.3
123.08038	0.7
123.11688	3.5
125.00005	1.3
127.03912	2.0
129.07004	5.1
131.08589	5.8
133.06483	1.1
133.10139	6.6
137.09602	1.1
137.13264	1.1
142.07782	1.4
145.05013	2.9
147.08031	1.1
147.11702	7.3
149.09639	3.4
157.10129	8.4
163.06078	2.3
165.12793	1.5
175.11171	9.2
184.07350	8.8
193.12245	25.4
199.23586	0.6
211.13290	37.9
217.63319	0.6
239.23817	0.9
239.38800	0.6
243.42813	0.6
257.24832	1.3
267.11603	0.6
267.15936	15.6
285.13657	1.3
285.14597	1.0
285.16965	57.3
313.27365	58.4
334.34290	0.6
505.38882	14.9
523.39960	100.0
524.40442	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.1
67.05509	5.7
69.03428	2.1
69.07072	1.0
71.05003	0.9
71.56978	1.3
73.02914	2.2
79.05491	3.0
81.03427	1.6
81.07046	3.1
85.02904	4.6
86.01484	0.6
91.03957	2.7
91.05492	3.6
93.07037	4.8
95.04971	0.9
95.08601	2.6
97.02923	3.0
99.04464	0.9
101.02380	1.3
103.03954	0.7
105.07040	2.8
107.08598	1.5
109.10159	5.2
110.26552	0.6
111.08146	0.7
111.91976	0.6
117.07040	0.8
119.08606	2.9
121.10152	1.3
126.85028	0.6
127.03932	2.0
129.05478	0.6
129.06975	0.8
131.08578	1.2
133.10162	1.7
137.09598	0.6
147.11745	0.9
173.11824	1.8
184.07391	3.7
185.04243	1.5
195.09959	0.9
229.14398	1.0
243.08482	3.5
248.45012	0.6
249.44264	0.7
259.20517	1.7
301.08945	3.0
315.10312	0.6
373.11066	1.7
385.18454	2.2
413.17822	9.8
465.20819	1.5
485.19534	1.0
495.22241	0.8
496.90573	0.7
514.67987	0.7
525.23322	4.8
535.28839	10.1
538.41406	0.7
594.29968	1.2
607.30823	1.8
609.32642	2.9
640.62305	0.7
649.35596	0.8
688.23773	0.7
707.39758	100.0
708.39990	3.0
735.42804	2.4
763.42682	3.0
877.49268	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.9
65.03929	0.5
66.62216	0.3
67.05504	7.0
68.55402	0.3
69.03435	3.0
69.07063	4.6
70.06583	0.4
70.40101	1.2
71.01347	0.3
71.04989	0.9
73.02916	3.1
77.03910	0.3
79.05492	5.2
79.05908	0.5
81.03416	2.9
81.07056	7.0
83.04987	1.2
83.08593	1.5
85.02905	4.4
85.06511	0.5
86.09740	1.8
87.81113	0.3
91.03948	2.7
91.05476	4.3
92.05821	0.3
93.07044	3.9
95.04987	1.2
95.08612	3.1
96.82800	0.3
97.02892	4.5
97.06549	0.9
97.10170	1.9
99.04471	1.1
101.02386	1.5
104.10778	0.4
105.07022	3.1
107.04974	0.6
107.08594	3.1
109.02898	0.8
109.06540	0.4
109.10155	2.9
110.10356	0.4
111.04430	0.3
111.08143	0.4
115.05440	0.4
117.07037	0.8
119.04963	0.3
119.08547	1.6
121.06554	0.4
121.10162	1.3
123.04430	0.4
123.08119	0.3
123.11718	0.5
125.00018	0.9
125.09673	1.1
127.03936	1.3
129.07025	0.8
131.08598	1.3
133.10143	2.1
135.08093	0.4
135.11732	1.0
136.06195	0.3
137.06006	1.1
137.09697	0.6
143.08540	0.5
145.04967	0.4
145.06528	0.3
145.10136	0.8
147.11717	1.2
149.09634	0.6
149.13321	0.6
156.99030	0.3
157.10132	0.4
159.11749	0.9
161.09694	0.3
161.13219	0.5
163.11235	0.4
164.07118	0.5
171.11707	0.3
173.04507	0.3
173.11832	0.7
173.13248	0.4
175.11246	0.3
177.08076	0.3
184.07336	4.1
185.04262	0.7
185.07707	0.4
189.11183	0.5
203.05344	0.5
229.14467	0.5
243.08412	3.1
275.20255	0.5
301.09100	0.5
302.17542	0.6
315.10599	0.5
333.20392	2.2
335.25662	0.4
349.24069	0.5
351.21439	1.9
371.32587	0.3
385.18634	0.4
389.23352	0.3
395.23196	0.5
407.23981	0.6
413.18222	0.5
439.19684	0.6
453.20969	0.5
471.22372	0.4
499.21597	0.4
520.33740	0.5
551.28143	5.3
551.34790	0.4
555.37048	0.5
569.29315	7.9
641.31317	0.6
654.42920	0.4
655.44171	0.8
698.46173	0.5
699.47095	1.7
817.49170	1.7
861.51453	2.9
879.50720	100.0
880.50415	3.3
903.65204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02842	4.7
61.03175	0.9
65.03846	1.6
67.05415	17.3
67.05816	2.1
69.03340	2.5
69.06979	4.9
70.17688	1.4
71.04908	1.2
73.02819	2.2
77.03867	0.6
79.05394	20.4
79.05894	1.8
81.03319	18.3
81.06957	16.7
81.07477	1.5
83.04881	2.9
83.08518	6.4
85.02803	5.1
85.06455	1.0
91.03854	2.3
91.05376	28.1
93.06942	20.1
93.07569	1.3
95.04864	7.0
95.08501	10.5
95.50052	0.5
97.02786	4.6
97.06416	1.3
97.10062	1.7
99.04367	0.4
99.08034	0.5
101.02307	0.5
103.05386	1.3
105.07034	19.7
105.07671	1.3
107.04937	3.4
107.08598	10.2
109.06398	2.1
109.10155	4.1
111.04343	0.6
111.08083	2.6
115.05342	1.6
116.06188	0.5
117.07023	5.8
119.04927	3.9
119.08585	14.1
119.09371	0.5
121.02710	0.6
121.06506	3.6
121.10143	8.8
123.04430	5.4
123.07953	1.8
123.11613	0.9
125.09573	0.7
127.03825	0.9
128.06111	1.5
129.06998	5.7
131.04810	1.6
131.08577	10.6
133.06514	3.5
133.10136	11.3
135.04419	3.8
135.07942	0.8
135.11678	3.1
136.06081	0.9
137.05986	21.5
137.06950	0.8
137.09558	0.9
139.11005	0.5
141.06874	1.2
141.72633	0.4
142.07664	1.0
143.04874	0.6
143.08591	2.6
144.09232	0.5
145.06464	2.9
145.10164	4.4
147.04414	5.1
147.08034	2.6
147.11685	7.1
149.05981	6.1
149.09645	5.4
149.13165	1.7
154.08562	0.7
155.08398	1.5
157.06389	1.7
157.10114	4.5
159.04341	0.7
159.08049	2.1
159.11719	2.7
161.05978	9.7
161.09567	0.6
161.13261	2.2
163.07562	4.2
163.11220	0.5
163.14761	0.6
164.06950	0.7
165.00641	0.5
165.05441	1.0
165.06871	0.7
165.12657	1.0
169.06398	1.0
169.10042	0.6
171.07909	2.0
171.11575	2.0
173.06004	6.1
173.09554	1.1
173.13217	2.1
175.07564	7.0
175.11159	3.6
175.14696	0.9
177.05394	0.6
177.09004	0.7
178.96544	0.4
181.06398	0.6
183.07930	2.0
183.11546	0.5
185.05843	1.9
185.09557	1.0
185.13168	0.8
187.07545	5.7
187.14719	0.5
189.05289	0.6
189.09009	1.7
191.06927	1.0
193.12257	7.1
195.07901	1.3
195.11774	0.9
195.13704	0.9
197.05878	0.6
197.09540	1.5
197.13173	0.7
199.07553	2.8
199.14699	0.6
201.09167	2.6
203.06955	0.5
203.10634	0.8
207.07901	0.7
209.09622	0.8
211.07405	1.1
211.11253	0.9
211.13193	3.3
213.08971	2.0
215.10579	1.0
223.07439	0.6
225.09038	1.3
237.09053	0.6
239.10600	0.8
243.13686	0.8
249.12386	0.5
255.13718	0.7
257.15381	3.8
259.20483	2.1
261.49768	0.5
267.13589	0.7
269.15265	0.5
273.14752	0.6
283.93378	0.4
285.14856	3.2
293.15323	0.9
297.14557	0.5
300.15829	0.5
302.17511	6.1
303.15936	2.5
311.16299	1.2
314.17197	0.4
323.16455	0.6
329.17511	5.4
333.17215	0.7
333.24240	3.8
341.17438	0.8
344.18475	1.2
346.20151	4.9
358.20099	1.1
367.18835	0.6
376.20963	0.9
402.22849	0.6
403.20959	1.0
418.21976	0.5
420.23853	4.0
438.24936	0.7
495.30005	0.6
678.43646	1.7
679.42432	2.2
696.44714	84.5
697.45117	3.2
738.46234	0.6
741.57062	0.5
804.46838	1.0
822.47919	2.7
840.48969	3.4
858.49982	100.0
859.50299	4.0
876.51172	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	874.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	4.2
65.03939	4.1
67.05505	100.0
69.03434	10.2
69.07066	37.4
70.70360	5.0
71.04987	7.5
73.02879	2.8
79.05494	62.2
81.03419	12.5
81.07055	88.3
83.04979	10.4
83.08622	27.6
85.02908	7.9
85.06516	4.7
86.09690	8.1
87.04465	1.9
91.03917	2.2
91.05480	57.7
93.07044	64.5
93.07635	3.3
95.04974	14.4
95.08609	46.2
97.02888	6.1
97.05988	2.4
97.06531	20.4
97.10170	22.6
99.04449	3.2
99.08089	3.2
103.05468	1.8
103.85950	1.8
104.10765	1.8
105.07030	49.8
107.04968	11.6
107.08598	56.6
109.06522	12.3
109.07133	1.9
109.10158	44.8
111.08080	8.1
115.05421	2.3
117.07004	19.5
119.08583	36.1
121.06487	6.2
121.10132	23.2
123.08032	5.4
123.11694	5.6
125.00011	2.6
125.09638	18.8
127.03860	5.5
129.05463	1.8
129.06985	7.6
129.07845	1.7
131.08559	31.8
133.06508	2.0
133.10132	31.1
135.08028	5.9
135.11682	15.7
136.31050	1.6
137.05960	3.7
137.09601	6.0
139.11140	2.2
141.06978	3.4
142.07758	3.0
143.08566	9.5
145.06523	2.5
145.10118	24.8
147.08052	4.0
147.11678	24.1
149.09631	21.1
149.13283	11.9
151.11168	4.5
155.08559	3.4
155.10628	2.3
157.10103	7.5
159.08040	2.7
159.11671	20.2
161.09610	3.0
161.13234	6.3
163.11172	12.5
165.12729	2.7
167.10686	1.9
169.10112	5.1
171.11655	6.2
173.11708	6.4
173.13248	9.2
175.11130	3.8
177.12746	7.1
179.14305	5.4
181.10106	1.8
181.12224	2.0
183.11676	3.6
184.07361	19.0
185.13210	3.3
187.11224	2.0
189.11226	9.7
193.12177	2.3
195.13783	5.4
197.13295	4.5
201.12590	2.3
201.16328	2.1
209.13159	2.5
213.12776	1.9
217.15758	2.2
219.13676	1.9
227.12770	26.2
229.14319	26.5
229.19498	3.6
233.15442	2.0
239.17819	3.9
245.13855	2.5
247.20578	2.4
255.15846	5.2
257.19000	12.5
267.15897	3.2
269.17517	24.4
273.18582	2.5
275.20087	55.2
275.23129	2.7
291.19461	2.2
293.21161	6.0
331.22726	5.3
349.23718	55.8
367.24744	16.0
399.24194	2.8
409.25723	6.7
423.27414	15.7
431.28418	2.2
433.30640	2.9
445.29474	2.3
449.29196	8.2
463.30447	21.0
469.33307	2.2
503.33728	27.5
507.34103	1.8
519.32635	2.6
520.88763	2.1
521.34344	5.8
525.35614	7.8
527.38171	2.4
529.34894	6.6
541.34589	2.1
543.36761	53.2
547.35315	1.9
561.37769	12.4
567.31653	3.0
607.34753	3.2
623.42993	20.4
641.44263	15.0
659.45068	3.9
687.39557	2.4
694.42877	4.1
705.41998	2.3
712.43420	7.8
856.48218	3.0
874.48450	7.3
875.47229	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	872.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	4.8
66.38609	2.1
67.05506	100.0
69.03421	2.6
69.07069	25.2
69.53354	15.6
71.00159	2.2
71.04985	7.5
73.02899	5.3
73.58610	2.1
79.05490	66.9
81.03407	10.5
81.07057	65.3
83.04962	8.3
83.08624	16.9
85.02917	12.0
85.06538	5.7
87.04449	5.7
91.03959	3.1
91.05480	75.6
93.07043	67.0
95.04952	13.3
95.08609	39.8
97.02898	5.6
97.06520	7.9
97.10170	15.9
103.05447	3.2
105.04513	2.4
105.07030	68.0
107.04963	4.7
107.08595	34.0
109.06474	3.6
109.10152	60.9
111.08078	7.3
112.57722	2.4
115.05422	4.7
117.07022	21.1
119.08582	58.6
121.06502	4.6
121.10139	19.7
123.08095	4.2
125.09650	15.5
128.79651	2.3
129.05490	3.5
129.06998	13.0
131.08566	31.2
133.10133	48.5
135.08064	3.8
135.11691	22.7
137.09641	5.9
142.07773	3.4
143.08578	13.8
145.10120	28.9
147.11693	38.0
149.09569	5.8
149.13264	9.3
155.08551	4.5
155.10738	3.4
157.10118	13.7
159.11671	22.2
161.13249	22.2
163.11188	9.0
163.14795	3.0
164.81374	2.8
169.10124	5.2
171.11697	13.4
173.09601	3.9
173.11751	15.1
173.13287	12.2
175.11140	5.1
175.14775	8.5
183.11676	6.2
184.07303	5.7
185.13290	10.7
187.14812	4.6
189.11113	2.7
189.16315	3.6
193.12215	7.0
197.13205	2.3
199.13220	5.4
199.14861	5.0
209.11632	5.2
209.13449	2.9
213.16428	2.5
215.17961	2.5
227.12737	5.5
229.14334	41.8
231.21118	5.8
241.19514	23.6
259.20569	66.4
267.15948	3.8
271.20447	2.4
275.20108	6.8
277.21570	4.1
289.21588	3.1
301.16574	11.5
313.21658	3.8
315.23047	4.4
325.21698	4.0
333.20416	4.3
333.24228	56.7
349.23709	5.6
351.25247	2.5
368.35071	2.9
399.23828	12.1
475.33960	3.3
487.34030	7.4
504.34354	4.1
505.35120	7.2
515.33820	3.5
541.34973	6.6
559.35907	6.5
577.36615	4.7
585.41022	4.1
657.43341	8.8
675.44556	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	864.5597
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08165	6.4
61.02913	0.2
66.30193	0.1
67.05504	1.0
69.03435	0.1
69.07058	0.2
70.06577	0.1
71.07375	3.8
79.05473	0.4
79.93353	0.1
80.12833	0.1
81.07063	0.6
83.08591	0.1
84.59095	0.1
85.02883	0.3
86.09705	33.6
87.10036	0.2
87.20321	0.1
91.03955	0.2
91.05470	0.4
93.07035	0.5
95.04967	0.1
95.08598	0.3
97.02905	0.2
98.98462	3.4
104.10740	4.0
105.07018	0.5
107.08596	0.3
109.10168	0.6
116.92727	0.1
117.06998	0.2
119.08589	0.4
121.10202	0.1
125.00005	21.9
127.64528	0.1
131.08525	0.2
133.10121	0.1
135.11714	0.1
143.01057	0.3
145.10173	0.1
147.11722	0.2
149.91753	0.1
159.11688	0.1
161.13239	0.1
173.11751	0.3
173.13190	0.1
184.07338	100.0
185.07695	0.4
229.14333	0.5
241.19737	0.1
252.66211	0.1
259.20505	0.5
333.24469	0.3
347.15503	0.1
487.34509	0.2
505.35202	0.3
606.33832	0.3
646.37628	0.3
688.41644	0.2
706.43103	1.1
728.45068	1.7
746.45947	1.8
764.47198	0.3
792.51593	0.2
810.52734	1.0
828.53711	2.1
828.68011	0.2
846.54901	2.9
864.55902	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	863.513
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08183	0.3
60.34671	0.3
61.02933	3.7
67.05503	4.6
69.03441	2.7
69.07064	2.3
71.01370	0.4
71.04996	0.6
71.07362	0.3
73.02921	3.0
79.05497	4.5
81.03416	1.5
81.07060	4.6
83.08644	1.0
85.02905	4.8
86.09702	2.8
87.10050	0.3
91.03956	3.0
91.05481	3.5
91.05931	0.3
93.07050	4.3
94.74916	0.3
95.04977	0.9
95.08612	2.7
97.02898	3.5
97.06543	0.5
97.10186	0.7
98.21560	0.4
99.04455	0.7
101.02405	0.9
103.04003	0.3
103.23632	0.3
105.07037	3.0
107.08583	2.5
109.02892	0.9
109.10179	1.3
111.08112	0.4
115.03979	0.4
117.07028	0.5
119.08606	2.5
121.10184	1.1
123.11760	0.4
125.00029	1.4
125.09661	0.5
127.03940	1.3
128.06232	0.3
129.05519	0.4
129.07010	0.6
131.08598	1.3
133.10121	2.1
135.08080	0.4
135.11772	1.0
137.06047	0.4
143.08585	0.4
145.04964	0.3
145.10147	0.8
147.11748	1.3
149.13304	1.0
157.10223	0.4
159.11755	0.7
161.13281	0.5
173.13272	0.5
184.07341	8.2
185.04259	0.6
185.07777	1.1
193.04767	0.3
200.39627	0.4
212.20546	0.3
243.08409	2.8
259.20819	0.5
289.20370	0.3
301.08859	1.4
307.72272	0.3
313.09244	0.5
315.10779	0.7
327.87988	0.3
333.17508	0.3
351.21362	3.3
373.11386	0.6
373.23584	0.4
391.24622	0.4
397.18790	0.5
407.23993	0.6
465.21237	1.0
499.21869	0.7
535.28772	6.1
541.22565	0.5
569.29315	6.8
641.31677	1.1
655.33423	0.4
669.34729	0.7
701.46991	1.1
793.43549	0.4
845.52258	0.3
863.51245	100.0
864.51788	3.6
868.00818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08166	0.2
61.02929	3.3
65.03943	0.2
66.40948	0.2
67.05505	4.8
67.05840	0.4
69.03434	2.5
69.07068	3.9
69.72826	1.1
71.01347	0.3
71.04997	0.5
71.07376	0.2
73.02918	2.6
74.73134	0.2
79.05502	4.0
81.03422	1.8
81.07058	4.7
83.01135	0.3
83.04965	0.7
83.08606	1.2
83.82439	0.3
85.02906	3.4
85.06536	0.3
86.01684	0.2
86.09702	1.9
91.03954	2.0
91.05484	2.7
93.07053	2.9
95.04984	1.2
95.08620	2.4
97.02907	3.0
97.06545	0.6
97.10157	0.6
99.04484	0.6
101.02394	1.2
103.03957	0.3
103.05460	0.2
105.07040	2.4
107.04984	0.4
107.08598	1.9
109.02894	0.6
109.06532	0.4
109.10159	1.2
117.07037	0.8
119.08572	1.6
121.06500	0.4
121.10150	0.6
123.08079	0.3
125.00033	1.5
125.09635	0.5
127.03927	1.0
129.05519	0.3
129.06998	0.4
131.08589	0.8
133.10126	0.8
135.11702	0.9
136.06198	0.2
137.05978	0.5
143.08588	0.3
145.10129	0.6
147.11736	0.9
149.05995	0.3
149.09668	0.4
149.13298	0.4
154.01495	0.2
157.10181	0.3
159.11734	0.5
161.05975	0.3
184.07346	5.1
185.04257	0.7
185.07703	0.3
201.03807	0.4
203.05310	0.4
241.06839	0.3
243.08430	3.4
245.89307	0.3
275.20172	0.4
281.04306	0.2
301.09082	0.7
313.08972	0.3
315.10608	0.5
333.20419	2.6
349.23425	0.2
369.15402	0.3
373.11270	0.3
385.18518	0.3
389.23157	0.9
429.17743	0.4
439.19333	1.1
442.75360	0.5
453.20920	1.2
469.20563	0.4
481.20847	0.2
551.28302	10.2
552.28918	0.4
555.24268	0.3
623.30420	1.0
651.33649	0.4
698.46600	0.4
699.46320	3.2
763.42157	0.3
861.49683	100.0
862.50122	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.475
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08159	0.8
62.61405	0.5
65.80905	0.5
67.05505	1.1
71.57496	0.8
79.05506	1.1
81.07066	1.2
82.84571	0.6
86.09715	4.3
91.05476	0.8
93.07070	1.2
104.10763	0.7
105.07072	0.5
112.99163	0.5
125.00038	2.0
127.03963	0.7
129.12453	0.6
162.74908	0.5
184.07347	14.6
185.07715	2.1
363.56226	0.6
382.84369	0.6
465.21146	1.3
551.28363	1.1
673.42883	0.8
699.46320	1.0
775.42334	7.0
861.47675	100.0
862.48077	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	861.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08156	0.4
61.02924	3.5
65.03921	0.6
67.05503	6.0
68.05837	0.5
69.03429	2.7
69.07072	2.9
70.27589	0.3
71.01338	0.4
71.04977	0.4
73.02911	2.7
77.41734	0.2
79.05491	5.8
80.05829	0.3
81.03414	3.1
81.07058	4.8
83.04988	1.0
83.08626	1.2
85.02908	3.7
85.06554	0.5
86.09701	2.6
91.03960	2.2
91.05473	5.0
92.05831	0.4
93.07044	4.3
94.07369	0.7
95.04958	1.3
95.08614	3.3
97.02897	3.4
97.06543	1.1
97.10188	1.6
98.98479	0.5
99.04460	0.7
101.02387	0.9
103.05447	0.3
104.10764	0.7
105.07029	2.9
107.04945	0.6
107.08591	2.6
108.08952	0.3
109.02859	0.7
109.06496	0.8
109.10159	1.2
111.08082	0.4
117.07044	1.1
119.04977	0.6
119.08575	2.4
121.06496	0.5
121.10148	1.6
123.04430	0.4
123.11710	0.5
125.00005	1.7
125.09638	1.3
127.03934	1.0
129.05614	0.3
129.06992	0.9
131.08565	1.7
133.06496	0.5
133.10132	1.7
135.04449	0.4
135.08069	0.4
135.11745	0.7
136.06219	0.4
137.06000	2.4
138.06413	0.3
143.08585	0.4
145.06575	0.5
145.10129	0.9
147.08080	0.6
147.11682	1.4
149.05962	0.6
149.09668	0.8
149.13289	0.4
155.08528	0.3
157.10161	0.7
159.11696	0.3
161.05974	0.5
163.07542	0.3
171.08055	0.4
173.05992	0.4
175.07559	0.4
175.11229	0.6
184.07336	7.8
185.04280	0.6
185.07756	0.9
187.07591	0.6
193.12279	0.6
201.09186	0.3
202.26689	0.2
203.05302	0.5
211.13301	0.3
243.08450	2.9
285.14969	0.4
301.09091	0.7
302.17715	0.3
303.15848	0.3
303.19263	0.4
313.09085	0.3
329.17520	0.4
329.38834	0.3
330.18124	0.3
333.20282	3.4
335.25867	0.5
336.26276	0.3
346.19992	0.3
347.20569	0.3
349.20132	0.5
373.10922	0.4
381.97400	0.3
385.18497	0.5
389.23083	1.0
439.19611	0.8
443.52618	0.3
453.21185	0.9
481.20703	0.6
483.22382	0.4
535.29022	1.5
541.22369	0.6
551.28235	7.6
567.27740	0.9
599.94794	0.3
623.29913	0.5
681.44757	0.3
698.46307	1.9
699.46600	10.2
825.49512	0.5
843.51563	0.5
861.49811	100.0
862.50220	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	860.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08086	0.4
61.02841	5.3
61.03172	0.8
63.76507	0.4
65.03851	1.9
65.86046	0.5
67.05412	21.5
67.05813	2.8
69.03338	3.0
69.06976	4.9
71.04902	1.2
71.41995	0.4
71.42337	0.8
73.02819	2.2
73.10478	0.3
79.05390	19.1
79.05893	1.9
81.03314	16.1
81.03844	1.5
81.06955	19.3
81.07479	1.8
83.04887	2.1
83.08517	5.8
83.09054	0.5
85.02801	5.6
85.06438	1.0
86.09603	1.4
90.44628	0.4
91.03843	2.8
91.05372	19.6
91.05999	1.5
93.06936	20.1
93.07581	1.3
95.04855	6.3
95.08493	12.4
97.02890	4.9
97.06409	1.9
97.10053	1.5
97.10606	0.4
99.04376	0.4
103.05401	0.8
105.04397	0.7
105.07030	11.8
107.04966	3.1
107.08594	10.1
109.06519	2.0
109.10159	6.5
111.04374	0.5
111.07967	1.8
115.05318	1.1
117.07010	3.5
119.04938	3.9
119.08578	8.6
121.02786	0.5
121.06503	2.1
121.10144	9.6
123.04427	4.5
123.07966	1.0
123.11568	1.3
124.99915	0.8
125.09553	0.9
127.03817	0.8
128.06174	0.9
129.07004	3.9
131.04813	1.2
131.08572	5.9
133.06505	3.4
133.10138	5.2
135.04405	3.3
135.07930	1.3
135.11697	2.9
137.05977	19.1
137.09491	0.8
141.06847	0.7
142.07664	0.9
143.04823	0.5
143.08461	0.9
144.05617	0.5
145.06509	2.9
145.10130	2.6
147.04404	4.6
147.08060	2.5
147.11690	4.5
149.05980	6.0
149.09633	5.5
149.13168	0.8
151.11075	0.8
155.08475	0.6
157.06343	1.6
157.10139	3.8
159.04297	0.5
159.08069	2.3
159.11566	1.4
159.12949	0.4
161.05980	8.8
161.09566	0.5
161.13075	1.1
163.07529	4.0
164.06984	0.5
165.05432	0.6
165.12741	0.9
167.08554	0.5
169.06410	0.6
169.10042	0.6
171.08044	1.8
171.11507	0.5
173.05995	4.8
173.09459	1.0
173.13182	0.9
175.07539	5.6
175.11201	3.7
175.14648	0.5
177.05492	0.4
177.08992	1.2
179.08331	0.4
181.06258	0.5
183.07942	1.5
184.07333	5.4
185.05832	0.5
185.09521	1.1
187.07541	5.6
187.11127	0.6
189.09137	2.9
189.10634	0.6
191.06905	1.1
193.12230	7.1
195.07939	0.5
195.13704	0.8
197.09442	1.2
199.07591	2.4
199.11145	0.5
201.09088	2.4
201.12627	0.4
203.06949	0.7
203.10696	0.5
205.08368	0.6
207.07985	0.5
209.09526	0.9
211.07515	0.9
211.11336	0.7
211.13220	3.9
213.08958	1.6
213.14859	0.4
217.08467	0.6
223.11180	0.7
225.09009	0.4
225.12607	0.6
227.10622	0.6
229.12122	0.8
241.12027	0.5
243.13889	0.5
249.12656	0.5
257.15405	5.0
267.13739	0.9
273.14691	0.5
285.14874	4.4
289.14096	0.5
302.17474	6.1
303.15863	3.2
311.16251	1.3
328.18835	0.9
329.17429	6.5
333.17117	0.8
335.22015	0.6
335.25778	7.5
341.17325	1.2
346.20050	5.9
347.18439	1.4
358.20129	0.7
376.21021	1.1
385.20044	0.9
402.22491	1.1
403.20975	1.0
420.23889	3.0
438.24573	0.9
582.28467	0.6
680.45276	1.6
681.43188	0.6
698.46228	100.0
699.46698	2.7
740.47314	1.2
776.47229	0.9
806.48517	1.1
824.49866	3.0
842.50238	4.4
860.51385	86.0
861.51648	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	4.1
65.03941	0.5
67.05506	4.4
69.03424	2.5
69.07081	3.1
70.05953	2.0
71.05009	1.0
73.02918	2.7
79.05490	4.4
81.03439	1.5
81.07053	5.2
83.08617	0.7
85.02910	3.5
86.09737	1.0
91.03972	2.2
91.05477	4.6
93.07063	4.3
95.08610	3.4
97.02912	3.4
97.06562	0.6
97.10191	0.9
99.04430	0.8
101.02413	1.1
105.07054	2.7
107.08620	2.0
109.02893	0.5
117.07063	0.9
119.08598	3.0
121.10188	1.7
124.99995	0.6
127.03919	1.1
131.08611	1.3
133.10175	2.1
135.11690	1.2
145.10133	1.1
147.11769	1.6
149.09732	0.6
149.13263	0.6
159.11769	1.2
161.13335	0.5
184.07320	3.7
185.04234	0.9
203.05374	0.8
243.08383	3.5
301.09052	1.5
301.39053	0.6
317.20837	0.6
347.22107	1.8
402.48581	0.5
465.21091	1.7
481.20258	0.7
483.22360	1.5
525.23694	0.7
527.28845	0.6
535.28839	7.6
565.29645	4.2
633.54834	0.5
637.32593	0.8
693.38458	0.6
759.42560	0.8
859.51770	100.0
860.51886	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	859.4813
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
60.08160	0.4
61.02930	3.1
67.05508	4.8
69.03442	2.8
69.07076	3.7
69.37339	2.2
70.06803	0.3
71.01355	0.4
71.05000	0.7
73.02927	2.7
79.05495	4.0
81.03432	1.8
81.07063	4.8
83.04993	0.5
83.08623	1.2
83.33472	0.3
85.02911	2.6
86.09692	1.3
91.03966	1.3
91.05478	2.7
93.07045	3.5
95.04436	0.3
95.04995	0.9
95.08603	1.9
96.74147	0.2
97.02892	3.3
97.06523	0.6
97.10173	1.7
99.04469	0.9
101.02381	1.2
102.41578	0.2
105.07047	2.0
107.04942	0.5
107.08578	2.1
109.02880	0.6
109.06557	0.4
109.10155	1.7
111.20356	0.3
115.05495	0.3
115.99080	0.3
117.07031	1.0
119.08569	1.3
121.10168	0.7
123.08024	0.4
124.99981	1.3
125.09676	1.0
127.03973	0.9
129.06941	0.3
131.08629	0.9
133.10194	1.1
135.08083	0.5
135.11716	0.8
137.09651	0.4
143.08577	0.4
145.10176	0.7
147.11749	0.6
149.09727	0.4
149.13307	0.6
159.11681	0.6
173.11784	0.3
173.13318	0.5
184.07336	4.4
184.08781	0.4
185.04202	0.6
185.07765	0.6
189.11305	0.3
198.36577	0.3
203.05305	0.4
223.13387	1.4
228.07744	0.3
243.08417	3.7
250.16644	0.3
291.19516	1.6
301.09079	0.5
314.67358	0.3
331.18958	1.2
333.20294	1.6
381.20767	0.3
387.21573	0.6
389.23001	0.6
439.19778	0.6
443.45349	0.3
451.19489	0.4
453.21017	0.7
549.26709	7.0
549.35229	0.4
551.28442	5.8
623.30811	0.4
841.49841	0.3
859.48114	100.0
860.48273	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	858.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02848	6.0
61.03183	0.8
65.03863	1.5
67.05421	17.5
67.05821	1.8
69.03348	3.5
69.06982	4.2
71.01276	0.6
71.04911	1.3
71.05260	0.4
71.56215	0.4
73.02830	2.9
77.03857	0.6
79.05402	19.1
79.05901	1.8
81.03326	17.5
81.03853	1.4
81.06966	17.3
81.07494	1.3
83.04889	2.5
83.08530	5.7
83.51611	0.4
85.02809	5.9
85.06489	0.9
86.09640	0.9
90.82497	0.4
91.03953	3.5
91.05481	26.7
91.06002	1.7
91.38685	0.5
93.07047	20.0
93.07603	1.1
95.04964	7.0
95.08612	11.8
95.09161	0.9
97.02893	6.1
97.06445	1.9
97.10084	1.6
99.04404	0.8
99.08012	0.6
101.02308	0.7
103.03882	0.5
103.05377	1.2
105.04424	0.8
105.07036	19.4
105.07676	1.1
107.04958	3.7
107.08596	9.9
109.02794	0.9
109.06543	2.4
109.07119	0.7
109.10145	4.7
111.08064	3.0
115.03809	0.4
115.05379	2.0
117.07024	6.8
119.04988	3.0
119.08583	14.3
121.06490	2.2
121.10158	8.8
123.04431	5.0
123.07974	1.3
123.11676	0.9
124.99953	0.5
125.09536	0.7
127.03799	1.4
128.06096	1.3
129.07005	4.9
130.07736	0.6
131.04800	1.2
131.08578	9.7
133.06493	3.2
133.10129	9.8
135.04401	2.9
135.07941	1.6
135.11696	2.8
136.06061	1.5
137.05984	18.0
137.09514	1.1
141.06923	0.9
142.07681	1.2
142.30647	0.4
143.08578	2.5
145.06483	3.1
145.10141	4.8
147.04424	4.7
147.08028	2.1
147.11682	8.6
149.05962	4.9
149.09625	4.9
149.13127	1.9
151.11122	0.8
153.06833	0.5
154.08543	0.8
155.08449	1.4
157.06456	2.1
157.10129	5.2
159.07942	1.9
159.11699	3.1
161.05978	8.2
161.13248	2.1
163.07564	3.7
165.05394	0.6
167.08466	0.7
169.06363	0.5
169.10136	0.8
171.07936	1.9
171.11569	1.7
173.05983	5.8
173.09561	1.2
173.13158	1.4
175.07552	7.0
175.11151	3.4
175.14731	0.5
177.09074	0.7
179.08502	0.7
181.06419	0.6
181.09978	0.5
183.07948	1.4
183.11595	0.7
184.07365	2.6
185.05881	1.1
185.09612	0.9
185.13138	1.5
187.07553	5.0
187.11331	0.5
187.14771	0.6
189.09177	2.3
189.10611	0.5
191.07047	0.7
193.12236	7.1
195.07890	1.2
195.13690	0.7
197.05948	0.8
197.09517	1.7
197.12987	0.5
199.07608	2.6
199.11028	1.0
199.14630	0.6
201.09209	2.3
201.12657	0.4
203.06976	0.6
203.10551	0.6
207.08047	0.5
209.09631	0.8
211.07471	1.4
211.13243	3.6
213.08968	1.8
215.10620	1.0
221.09483	0.7
223.07507	0.7
225.09038	0.9
225.12563	0.6
227.10614	1.0
239.10799	0.5
239.14223	0.7
241.12218	0.4
241.19479	0.6
243.13887	0.6
249.12573	0.5
255.13776	0.6
257.15359	4.5
259.20554	2.9
267.13535	1.0
267.16022	1.0
269.15472	0.5
273.14703	0.8
285.14874	3.8
287.16351	0.6
297.14771	0.7
300.15799	0.7
302.17560	4.9
303.15790	2.1
311.16364	1.5
323.16168	0.7
326.17334	0.6
328.18936	0.8
329.17432	5.0
333.16858	0.5
333.24176	5.5
341.17276	1.0
344.18448	1.6
346.20123	4.3
376.21161	0.7
402.22836	0.7
403.21619	0.6
403.33859	0.5
418.21817	0.6
420.23764	4.5
421.24179	0.5
436.23209	0.5
438.24777	1.1
495.29459	1.3
678.43750	2.7
679.42346	2.4
696.44702	100.0
697.45166	4.0
738.45612	1.9
774.47131	1.1
804.46991	1.3
822.48315	3.2
840.48975	5.2
858.49951	83.8
859.50800	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	856.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	2.6
65.03928	4.3
67.05505	80.7
69.03432	10.3
69.07069	43.9
70.80991	1.9
70.81328	1.3
71.05000	6.6
73.02895	1.2
79.05494	70.8
81.03419	15.8
81.07058	100.0
83.04987	14.4
83.08618	20.6
85.02917	7.6
85.06559	5.5
91.04895	2.0
91.05479	65.3
93.07044	70.9
95.04969	13.8
95.08607	40.1
97.02882	4.3
97.06537	22.9
97.10170	16.1
99.04456	2.4
99.08077	4.2
103.05456	2.1
105.07034	53.4
107.04961	12.8
107.08598	49.8
109.02853	3.7
109.06521	10.2
109.10162	16.9
111.04473	1.3
111.08076	6.5
113.09650	2.8
115.05443	3.5
116.06223	1.7
117.06226	1.8
117.07017	25.3
119.08583	38.2
121.06552	6.7
121.10141	21.4
122.12851	1.3
123.04419	1.5
123.08055	5.0
123.11673	5.6
125.09634	12.2
127.03904	4.3
127.07584	1.8
128.06218	3.4
129.07011	11.4
130.07788	1.8
131.08559	29.8
133.06506	3.1
133.10127	33.3
135.08072	8.2
135.11684	17.7
137.09604	4.8
137.13239	1.3
139.11156	1.9
141.06976	3.6
142.07738	1.8
143.08563	11.0
145.06470	2.8
145.09033	2.3
145.10121	27.5
147.08028	2.2
147.10638	1.6
147.11696	16.1
149.08553	1.9
149.09622	23.3
149.13252	11.8
151.11186	4.1
153.12674	1.1
154.07773	1.4
155.08528	4.9
157.06482	1.1
157.10147	8.7
159.08037	1.7
159.11693	19.9
161.09579	4.5
161.13226	6.1
163.11189	14.2
163.88449	1.2
165.06929	1.2
165.12733	2.6
167.08534	1.6
169.10114	6.3
171.11700	8.1
173.04446	3.2
173.13263	10.8
175.11201	2.7
175.14833	1.6
177.12767	5.6
179.14287	4.1
181.10103	2.9
181.12125	2.7
183.11723	5.4
184.07373	2.7
185.13254	3.4
187.11150	2.7
187.14774	2.7
189.11234	5.4
189.12691	1.5
191.14223	2.1
193.10271	1.2
193.12305	1.3
195.12006	1.7
195.13783	8.6
197.13220	4.9
199.14912	1.4
201.12822	1.8
203.14391	1.3
205.15858	1.2
209.13321	1.5
211.14848	2.5
213.65039	1.1
213.77486	1.2
217.15909	1.9
219.13757	1.4
227.12770	21.5
229.14307	2.1
229.19501	4.5
233.15309	1.5
235.16899	1.5
239.17955	4.3
245.18935	1.5
247.20451	2.7
251.16280	2.6
255.15872	13.9
257.19019	13.4
267.15826	4.6
269.17490	42.2
273.18567	1.8
275.20071	57.8
283.20505	1.9
291.19363	1.3
293.17557	1.2
293.21045	3.9
313.21497	1.8
321.24393	2.6
331.22699	5.6
333.24319	1.4
339.18027	1.4
349.23740	57.1
365.23294	1.6
367.24875	5.9
413.22064	2.2
423.27136	1.8
433.30630	3.1
435.27310	2.1
439.27066	1.9
445.29388	3.3
447.30890	1.6
449.29056	19.3
451.32251	2.0
463.30539	21.0
469.32852	1.5
503.33447	2.4
508.37112	1.2
511.33749	1.7
513.36102	1.5
515.37378	2.5
519.33002	2.7
525.35785	5.3
527.36737	1.4
529.35321	12.8
543.36823	47.5
544.37170	1.4
561.37994	7.2
607.35504	2.0
623.43042	15.6
641.44153	5.3
763.43152	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	1.3
65.03941	3.6
67.05508	52.4
69.03078	0.9
69.03431	14.2
69.07072	42.3
69.74383	2.3
69.74792	1.4
70.06606	0.8
71.01350	0.6
71.04392	1.5
73.02896	1.3
73.09132	0.7
77.03912	0.7
79.05495	51.0
81.02983	0.9
81.03425	12.0
81.07059	50.1
83.04982	10.1
83.08141	1.0
83.08620	15.4
84.75122	0.5
85.02901	4.7
85.06527	2.8
86.09200	0.6
86.09718	1.2
91.05483	41.4
93.07046	44.0
95.01304	1.2
95.04973	12.6
95.08613	24.4
97.02900	11.6
97.06532	11.7
97.10178	22.1
98.21464	1.3
99.04440	1.2
99.08101	1.7
101.33952	0.6
103.05447	1.9
105.03400	1.0
105.04549	1.6
105.07033	33.3
107.04305	0.8
107.04967	14.2
107.08598	33.7
108.05766	1.0
109.02883	2.2
109.06521	7.8
109.10156	15.1
110.62922	0.6
111.04434	1.5
111.08099	4.9
113.09653	0.9
115.05447	2.3
116.06215	0.7
117.07020	15.9
119.04928	2.4
119.08585	23.5
119.09445	1.1
120.05686	0.6
121.06516	5.4
121.09317	1.1
121.10148	12.0
121.11018	0.8
123.04454	0.9
123.08084	5.1
123.11715	2.5
125.09635	16.3
127.03918	3.0
128.06209	1.9
129.05476	1.0
129.07025	7.2
130.07753	1.5
131.07588	1.0
131.08574	18.9
133.06508	4.0
133.10121	16.8
134.07269	1.5
135.08069	6.6
135.11705	10.5
137.06000	0.9
137.09647	3.2
139.11224	1.1
141.06985	2.0
142.07767	1.1
143.08562	6.7
143.10651	0.8
144.09343	0.7
145.06500	2.0
145.10123	12.8
147.08057	7.2
147.11691	8.5
149.09633	10.2
149.13240	6.9
151.11201	3.1
153.09094	2.3
153.12787	0.6
155.08521	2.3
157.10159	4.5
159.08061	1.7
159.11711	9.7
161.09612	3.4
161.13284	3.7
162.10419	1.1
163.11191	7.5
165.09090	2.3
169.10127	2.4
169.12219	0.6
171.10178	1.7
171.11685	3.4
173.04500	1.0
173.09622	1.2
173.11833	1.2
173.13269	3.6
175.11185	3.3
175.14809	0.9
177.12744	3.3
179.14313	1.8
181.10129	0.9
181.12144	0.9
183.11691	2.0
184.07373	2.1
185.13252	1.8
187.11205	1.4
187.14742	0.7
189.11234	8.4
189.12773	0.9
191.14229	0.7
193.12230	1.1
195.12061	0.7
195.13817	3.4
197.13275	1.5
199.11151	0.9
201.16393	0.7
205.12248	2.9
211.13129	1.0
213.16429	1.1
219.13885	0.8
223.13280	20.1
227.12772	17.1
227.17863	1.3
233.15182	0.6
239.17920	2.2
245.13756	1.2
245.18985	1.9
247.20543	0.9
249.14972	3.9
253.14308	2.8
255.15717	3.0
257.19034	6.3
261.14957	0.6
263.20181	0.8
267.16086	1.8
269.17514	11.4
273.18475	16.1
275.20078	20.3
281.97430	0.6
289.17960	0.8
291.19547	100.0
292.19888	1.5
293.21024	0.9
296.83249	0.6
309.20541	0.7
331.22659	2.5
347.21994	2.9
349.23743	20.0
350.24612	0.7
365.23236	42.4
367.24786	1.0
395.29239	0.7
461.28970	1.9
511.46228	0.8
519.32983	1.5
527.33209	0.8
535.32599	1.9
541.35309	1.9
543.36676	2.3
545.34692	10.8
559.36298	35.8
599.39343	0.7
611.42694	0.8
621.41284	2.3
639.42517	31.8
640.42029	0.9
647.07343	0.8
657.43549	2.7
679.35248	0.7
703.40521	1.0
783.48291	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.5493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07397	0.2
60.05895	0.1
60.08165	6.6
67.05506	0.2
70.06618	0.2
70.73133	0.2
71.07374	4.1
79.05495	0.2
81.07069	0.1
86.09707	32.3
87.10034	0.1
93.07042	0.1
97.06566	0.1
98.98467	3.5
104.10745	4.5
105.07053	0.1
107.08590	0.1
125.00005	22.2
143.01021	0.2
165.31815	0.1
166.02657	0.1
180.80525	0.1
184.07341	100.0
184.57101	0.1
185.07661	0.4
231.40347	0.1
235.48154	0.1
246.53830	0.1
360.99463	0.1
499.11261	0.1
500.49936	0.1
534.31757	0.2
552.32825	0.1
728.44885	0.9
746.46460	0.5
810.52930	1.3
828.53851	2.5
846.55023	1.6
847.53790	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	847.6454
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08161	6.6
65.03941	1.1
67.05508	29.1
69.03406	1.1
69.07069	13.4
69.86174	1.9
69.86590	3.9
71.04987	1.0
71.07354	2.9
72.86951	0.8
76.56714	1.0
79.05068	1.8
79.05492	26.3
81.03405	1.1
81.07062	30.2
83.04979	2.5
83.08624	8.9
85.48876	0.9
86.09708	32.8
87.10030	3.6
91.04973	1.6
91.05487	20.4
92.33243	0.9
93.06478	1.8
93.07041	28.9
95.04955	2.3
95.08607	29.5
97.06526	5.4
97.10169	6.3
98.98470	3.3
104.10741	3.3
104.38299	0.9
105.07031	23.6
107.08598	20.1
109.06514	2.3
109.10155	15.0
111.08070	1.1
115.05450	1.5
117.07008	10.4
119.08593	20.6
119.09460	1.3
121.09343	1.1
121.10147	15.8
123.08066	1.7
123.11708	3.8
125.00002	24.2
125.09634	3.0
128.06215	1.4
129.06993	5.3
131.08566	13.8
133.10141	14.1
135.11708	13.1
141.06992	2.2
142.07774	1.7
143.08563	11.1
144.09406	1.1
145.10136	15.6
147.07964	1.1
147.11699	8.7
149.09625	1.2
149.13274	5.9
151.11110	1.0
155.08589	6.1
157.10103	7.4
159.11699	10.8
161.13260	4.0
163.11057	1.2
163.14853	2.4
167.08578	1.9
169.10136	6.0
171.11713	9.5
173.11993	1.0
173.13290	7.1
175.14819	3.1
181.10085	4.7
183.11749	6.5
184.07349	100.0
185.07719	12.6
185.13295	5.3
187.14815	3.7
193.10118	1.9
195.11693	3.6
197.13214	4.0
199.14842	3.7
201.16348	1.6
207.11790	2.4
207.13710	1.2
209.13226	3.9
211.14819	3.7
213.16412	3.1
215.17879	1.6
219.11766	1.0
221.13255	2.1
223.14806	3.3
223.16905	1.5
225.16431	1.5
227.17993	2.3
235.14850	1.7
237.16537	1.5
239.17856	1.5
241.19548	2.3
249.16328	1.3
254.80434	1.1
261.18625	1.1
263.20172	1.8
271.20825	1.1
275.20114	8.8
277.21674	16.7
278.21933	1.1
279.23386	1.3
289.21646	3.9
293.21048	1.1
303.23315	1.7
313.21536	1.2
315.23123	2.3
323.23474	1.3
327.23203	1.4
329.24661	2.1
357.27924	1.1
359.29437	1.2
369.27887	1.2
371.29413	2.9
373.31189	1.3
381.89532	1.0
383.29474	2.0
385.30997	2.7
387.28671	1.2
387.32938	1.4
397.31079	2.0
445.32858	2.9
447.34662	1.6
457.32809	2.5
459.34213	3.0
471.34970	1.6
473.36169	1.3
551.40778	4.1
553.26483	1.2
553.42609	4.8
555.43732	1.3
569.42108	1.8
593.45593	1.0
605.45435	1.3
689.41736	1.3
729.44550	2.2
735.55157	3.9
749.56451	3.0
777.56494	1.3
811.51190	1.5
829.64984	9.9
847.49286	2.2
847.63733	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	846.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07390	0.2
60.08167	6.6
63.30769	0.1
66.95062	0.1
67.05511	0.2
69.07060	0.1
69.70667	0.4
70.06554	0.1
71.06976	0.2
71.07374	3.5
79.05502	0.2
79.60130	0.1
80.97421	0.1
81.07059	0.3
86.09708	31.1
87.10031	0.7
91.05482	0.2
93.07056	0.2
95.04973	0.1
98.21470	0.2
98.98467	3.2
104.10751	4.8
104.96650	0.1
105.06998	0.2
105.11073	0.1
107.08582	0.1
108.35503	0.1
109.10187	0.1
119.08611	0.1
125.00008	21.3
126.00359	0.1
127.00436	0.2
143.01028	0.1
156.93207	0.1
166.02672	0.2
184.07344	100.0
185.07707	2.3
186.07803	0.9
248.73929	0.1
284.77750	0.1
363.01257	0.1
521.33661	0.1
534.31689	0.2
552.32489	0.2
728.45374	1.1
746.45898	0.8
810.52753	0.9
820.59387	0.1
828.53735	3.4
829.54315	0.1
846.54938	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	845.5403
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36591	1.9
61.02933	32.4
62.10131	2.0
65.03934	5.4
67.05505	82.1
69.03423	25.1
69.07069	29.0
71.01346	3.9
71.04991	4.9
71.56361	2.7
73.02914	21.0
75.04485	5.3
79.05495	74.8
81.03413	17.5
81.06583	4.4
81.07059	83.1
81.34873	2.2
83.04983	7.1
83.08610	16.1
85.02908	38.2
85.06528	4.6
87.04491	3.7
91.03953	17.5
91.04910	2.8
91.05479	66.7
93.07045	80.6
95.04978	12.0
95.08605	71.2
95.09169	4.8
97.02892	38.0
97.06543	7.2
97.10159	9.2
99.04457	9.1
99.08112	2.5
101.02387	4.6
103.03956	4.3
103.05437	4.0
105.07036	67.0
107.08595	45.0
109.02885	5.3
109.06516	4.6
109.10169	30.8
111.04463	2.5
111.08064	3.9
113.05970	3.4
115.03928	2.6
115.05461	6.1
117.07018	42.0
119.08579	59.1
121.06489	2.5
121.10149	35.6
123.08054	5.1
123.11707	8.4
125.09630	3.5
127.03894	12.5
128.06229	8.7
129.05547	4.9
129.06995	27.6
130.07805	4.0
131.08562	53.1
133.10130	43.6
135.08087	2.6
135.11674	22.3
137.09621	3.0
141.07013	11.3
142.07802	5.6
143.08540	32.4
145.04907	4.3
145.10121	52.7
147.11682	36.9
147.80112	2.4
149.13258	12.7
151.11256	3.1
153.06996	4.1
155.08574	28.0
156.09367	3.8
157.10121	28.3
159.11699	36.8
161.13287	16.3
163.11172	3.4
163.14844	4.7
167.08569	7.3
168.09314	3.1
169.10156	26.5
170.10950	3.4
171.11696	29.9
173.11909	3.6
173.13264	25.0
175.14819	9.3
179.08624	3.9
180.09373	3.7
181.10104	20.9
183.06435	2.1
183.11691	30.0
184.07381	4.2
184.12350	2.4
185.09729	2.6
185.13281	28.0
187.14795	10.9
189.16447	5.7
193.10182	6.0
193.12050	2.8
195.11729	15.4
197.13266	20.9
199.14818	15.7
201.16391	6.6
202.08658	2.4
203.14345	3.9
204.06601	3.4
205.10368	2.1
207.11714	8.2
209.13223	16.1
211.14798	15.1
213.16339	11.6
213.21945	2.5
215.17928	3.5
221.13290	6.0
223.14848	9.7
225.16394	6.3
227.17990	6.3
233.13312	2.8
235.14915	3.6
237.16422	6.2
239.17947	5.8
241.19586	11.5
247.14861	2.8
249.16225	3.9
249.18558	2.8
251.17807	6.0
253.19716	2.6
257.18945	3.9
259.20560	21.0
265.19443	3.5
271.20474	2.7
277.21762	3.3
279.21155	3.1
311.23557	2.3
313.21780	2.5
314.17471	3.3
315.17917	4.2
315.23337	3.7
323.23779	2.8
332.18558	6.3
333.24243	25.4
337.25186	3.8
339.26691	3.5
349.24051	4.1
351.25418	17.2
365.28647	4.1
391.29373	2.8
406.22244	3.3
407.29172	2.8
447.32135	4.4
465.33499	2.8
517.40680	20.5
521.35309	3.6
535.41077	8.6
591.44116	24.5
609.45178	25.8
627.45764	6.2
641.84766	3.0
665.21869	3.6
665.48309	10.8
683.48834	100.0
684.49097	4.0
701.49756	3.1
735.47278	4.1
753.49139	5.6
771.49646	2.8
809.51501	3.7
827.47644	18.5
845.54968	31.9
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
60.08159	0.4
61.02929	4.4
61.46458	0.2
65.03942	0.3
67.05506	4.7
69.03438	2.5
69.07071	2.2
70.04568	0.5
70.04964	0.5
71.01376	0.4
71.05002	0.5
73.02917	3.7
78.88300	0.3
79.05489	4.9
79.05901	0.4
81.03426	1.7
81.07061	4.7
83.04993	0.6
83.08618	0.6
85.02905	4.3
85.06557	0.3
85.71516	0.2
86.09708	1.6
87.04503	0.3
91.03972	2.3
91.05482	3.3
93.07038	4.8
93.07556	0.4
95.04973	0.9
95.08605	2.9
97.02904	3.7
97.06544	0.6
97.10186	0.6
99.04485	0.6
100.07425	0.3
101.02387	1.3
103.03952	0.3
105.07040	4.0
107.08601	2.6
109.02905	0.5
109.06510	0.4
109.10184	1.1
115.03970	0.5
117.07069	1.0
119.08575	2.4
121.10146	1.3
123.08035	0.5
123.11703	0.3
125.00038	0.9
125.09698	0.3
127.03971	1.0
129.06998	0.4
131.08603	0.8
133.10147	2.3
135.11743	1.1
143.08549	0.3
145.10147	1.1
147.11729	1.0
149.04744	0.2
149.09648	0.4
149.13286	0.7
157.10139	0.3
157.33189	0.3
159.11736	0.8
161.13322	0.8
184.07347	3.5
185.04301	1.0
185.07794	0.4
203.05209	0.5
241.07004	0.3
243.08432	4.0
251.12549	0.4
259.20819	0.6
285.02707	0.3
301.09003	1.4
313.08954	0.4
315.10760	0.7
333.20392	3.1
333.24069	0.3
371.16989	0.4
373.11340	0.8
373.23389	0.6
383.17044	0.4
385.18213	0.4
389.23087	0.6
397.18466	0.3
429.17416	0.5
431.24762	0.3
437.21585	0.4
439.19614	0.9
453.21387	0.9
465.21185	0.6
469.20361	0.4
514.90192	0.3
535.28827	8.0
541.22644	0.7
551.28180	5.4
623.30298	1.5
637.32458	0.3
728.47498	0.3
747.43182	0.5
845.50201	100.0
846.50641	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	844.5334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07141	0.1
59.07399	0.2
60.08164	6.6
67.05484	0.2
69.76356	0.2
69.76748	0.2
70.06583	0.1
71.07375	4.0
79.05464	0.1
80.96044	0.1
81.07038	0.2
83.08547	0.1
86.09705	34.9
87.10031	0.2
87.64497	0.1
91.05462	0.1
93.07034	0.2
95.08619	0.1
98.98463	4.2
104.10745	4.3
119.08592	0.1
125.00003	23.5
141.49144	0.1
143.01065	0.1
149.24654	0.1
151.03926	0.1
164.95506	0.1
165.71227	0.1
166.02705	0.2
184.07338	100.0
185.07689	0.5
268.71338	0.1
285.69800	0.1
293.21091	0.2
293.79745	0.1
295.49930	0.1
512.39185	0.1
532.30695	0.1
534.32141	0.2
550.31635	0.1
726.42938	0.2
730.42969	0.1
744.44415	1.5
774.52826	0.1
808.51099	0.3
826.36407	0.1
826.52252	2.6
844.53259	5.6
845.52460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08171	6.6
61.02924	2.8
61.08485	0.4
66.47585	0.3
66.69687	0.3
67.05505	2.9
69.03429	2.1
69.07066	1.8
69.50742	0.3
71.07377	3.3
71.42606	0.6
73.02934	2.1
79.05499	3.8
81.03392	1.5
81.07060	3.4
83.08596	0.5
85.02895	3.1
85.57758	0.5
86.09708	32.9
87.10030	3.1
91.03956	1.8
91.05489	3.0
93.07054	3.3
95.04948	0.6
95.08611	2.0
97.02898	3.3
97.10130	0.5
98.98458	3.9
101.02370	1.5
104.10746	3.8
105.07054	2.1
105.11083	0.7
107.04900	0.3
107.08608	1.7
109.02857	0.7
109.10150	0.9
117.07007	1.2
119.08597	1.9
120.08581	0.4
121.10149	1.6
125.00014	23.9
126.00307	0.9
127.03870	0.8
129.05446	0.4
131.08539	1.2
133.06396	0.5
133.10109	1.4
135.11671	0.6
143.08588	0.4
145.10118	0.7
147.11693	0.7
159.11729	0.8
161.13281	0.5
173.13297	0.4
184.07349	100.0
185.04216	1.0
185.07704	12.3
185.97728	0.4
190.81555	0.4
201.03654	0.4
203.05180	0.4
224.48093	0.4
243.08443	2.3
293.21481	0.4
301.09045	1.4
315.10577	0.5
333.20309	2.3
373.11096	0.7
373.23416	0.4
397.18521	0.4
465.21155	1.1
525.23083	0.7
535.28705	5.2
551.28333	4.2
607.30640	0.5
623.30621	1.1
651.33301	0.4
745.45172	0.8
827.53210	3.9
845.50275	90.3
846.50592	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	843.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08149	0.4
61.02929	4.0
65.03964	0.4
67.05506	4.4
69.03429	2.8
69.07066	1.5
69.76859	0.3
70.68076	0.4
70.68451	0.6
71.04984	0.6
73.02912	2.8
79.05495	4.0
81.03423	1.8
81.07053	4.6
83.04972	0.6
83.08601	0.5
85.02906	3.4
85.06561	0.4
86.09704	1.7
87.04445	0.4
90.96655	0.3
91.03963	2.2
91.05476	4.2
93.07043	3.9
94.94439	0.3
95.04980	1.3
95.08608	2.2
96.67751	0.3
97.02909	3.4
97.06534	0.7
97.10235	0.3
99.04465	0.7
101.02393	1.3
103.03963	0.5
105.04529	0.3
105.07041	4.1
107.04953	0.4
107.08604	2.9
109.02893	0.7
109.06512	0.4
109.10157	1.5
112.80633	0.3
114.43103	0.3
115.03956	0.3
117.07052	0.9
119.08580	1.9
121.06477	0.4
121.10124	1.5
123.11752	0.3
125.00033	1.1
127.03880	0.8
128.06239	0.3
129.05530	0.4
129.07027	0.7
131.08583	1.1
133.10112	3.3
133.10941	0.3
135.11737	0.9
143.08577	0.3
145.10158	1.0
147.11700	1.1
149.13309	0.4
151.11230	0.7
157.10181	0.4
159.11708	0.3
161.09674	0.4
161.13257	0.4
171.11781	0.3
173.13142	0.5
184.07343	5.3
185.04300	1.0
185.07701	0.4
185.13220	0.4
201.03772	0.3
203.05313	0.4
218.97540	0.3
241.07007	0.3
243.08408	3.7
243.10355	0.3
259.07941	0.3
301.08981	1.5
313.09131	0.4
315.10544	0.6
317.20917	0.6
331.18713	3.6
331.22095	0.3
357.15067	0.3
369.15289	0.6
371.16800	0.4
371.21884	0.5
373.11298	0.4
373.23865	0.4
387.21490	0.9
429.17407	0.5
429.22607	0.6
437.21237	0.5
451.19864	0.3
465.21167	1.2
467.22473	0.3
469.20813	0.5
479.82196	0.3
535.28827	6.7
539.20465	0.4
549.26703	6.2
565.26056	0.4
621.28583	1.6
635.30609	0.3
649.32263	0.4
705.38318	0.5
843.48590	100.0
844.48853	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08141	0.5
61.02924	3.1
64.32234	0.3
65.03960	0.4
67.05504	4.1
69.03427	3.1
69.07072	2.9
73.02924	3.3
79.05489	4.9
81.03408	2.0
81.07058	4.1
83.04985	0.7
83.08608	1.0
85.02900	4.0
86.09703	1.3
89.53775	0.3
89.83006	0.3
91.03948	1.7
91.05479	3.2
92.16179	0.3
93.07047	4.8
95.04975	0.6
95.08603	2.1
96.62868	0.4
97.02895	3.3
97.06524	0.6
97.10159	0.8
98.21500	1.0
99.04464	0.7
101.02369	1.5
105.07027	2.9
107.04967	0.5
107.08595	2.1
109.02856	0.6
109.10181	1.1
111.08044	0.4
117.07021	0.8
117.33767	0.3
119.08579	1.7
121.10170	1.1
125.00007	1.1
125.09643	1.4
127.03896	0.9
129.05495	0.5
129.07063	0.6
131.08536	1.6
133.10104	1.7
135.08112	0.4
135.11723	0.9
143.08504	0.4
145.10143	1.0
147.11714	1.1
149.13332	0.9
157.10089	0.4
159.11711	0.7
161.13225	0.4
184.07343	4.4
185.04292	1.0
185.07683	0.8
203.05327	0.5
223.13399	0.6
227.12973	0.4
229.19788	0.4
243.08450	3.7
243.10754	0.4
245.14124	0.3
274.63617	0.3
291.19623	1.6
301.08987	1.9
315.10440	0.8
327.10913	0.4
331.18790	2.3
373.11166	0.5
387.21246	0.4
397.18576	0.4
465.21027	0.9
535.28906	5.7
539.21271	0.7
549.26660	5.7
621.29279	1.5
649.31915	0.3
681.44214	0.5
705.36407	0.4
843.48578	100.0
844.48737	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	840.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	4.7
65.03943	4.1
67.05508	95.1
69.03432	12.1
69.07071	42.0
71.04974	6.6
73.02901	2.4
77.03939	2.3
79.05499	96.4
81.03436	12.3
81.07062	100.0
83.04990	13.3
83.08619	23.9
85.02901	10.6
85.06535	6.8
86.09698	8.6
86.27731	1.9
91.03947	2.6
91.05486	95.1
93.07047	92.0
95.04984	15.7
95.08613	59.5
95.09232	2.5
97.02894	6.5
97.06539	14.1
97.10166	15.0
99.08102	6.2
103.05485	1.9
105.04533	3.3
105.07037	94.3
107.04976	9.8
107.08602	56.8
109.02879	2.5
109.06509	11.2
109.10159	27.8
111.08089	10.0
113.48102	1.8
115.05449	4.4
116.06217	2.2
117.07029	36.9
119.08587	70.8
121.06506	5.3
121.10152	32.3
123.04356	2.1
123.08049	5.9
123.11688	7.7
124.99973	5.9
125.09660	11.2
127.03883	3.6
128.06229	3.3
129.07011	22.3
130.07756	4.6
131.08574	50.4
133.10136	61.5
135.08046	6.3
135.11697	24.6
137.09598	4.5
139.11226	2.4
141.07025	9.5
142.07758	5.6
143.08566	26.1
144.09369	3.0
145.10132	40.8
147.08067	3.1
147.11691	39.0
149.09668	11.7
149.13284	12.2
151.11209	3.6
155.08531	16.3
157.10147	23.5
159.08043	3.0
159.11707	31.6
161.09625	3.2
161.13240	21.3
163.11188	7.3
163.14844	3.9
165.07028	2.3
165.12697	3.0
167.08556	7.3
168.09390	3.6
169.10130	13.5
170.10873	3.0
171.11708	22.0
173.04485	2.6
173.09698	2.3
173.13222	18.2
175.11172	3.8
175.14815	9.2
177.12724	4.2
177.16362	2.0
179.08537	2.9
181.10095	7.3
183.11717	15.5
184.07368	19.4
185.09671	2.8
185.13266	18.9
187.11180	2.6
187.14845	7.1
189.11223	3.0
189.12781	3.4
189.16518	2.1
193.10211	2.9
195.11729	7.6
197.13295	14.4
199.14886	10.0
201.12895	2.0
201.16333	2.5
207.11671	2.9
209.13258	9.5
211.14839	7.7
213.16405	5.1
215.14297	2.9
215.17896	2.2
221.13213	3.4
223.14809	4.6
225.16406	4.0
227.12714	6.0
227.17952	2.4
229.14319	4.3
229.19489	2.4
231.21072	4.3
233.13159	1.9
237.16376	2.5
239.18010	4.0
241.19551	18.4
255.15710	9.4
257.18997	9.1
259.20593	43.0
261.22202	2.8
262.90240	1.9
265.19434	2.5
267.15945	3.7
269.17426	12.2
273.18478	2.2
275.20108	24.3
277.21603	4.0
293.21017	2.1
297.22168	3.3
301.21353	2.5
315.23172	6.0
331.22873	3.1
333.24231	46.4
335.25815	3.0
339.22937	2.9
349.23807	19.7
351.24985	3.0
365.28156	2.0
367.24765	3.2
377.28101	1.8
402.73276	2.4
403.29694	2.8
417.31305	3.1
421.30704	3.6
429.29968	2.3
435.32651	5.4
439.32507	2.2
453.33759	5.6
471.34698	3.5
487.33829	2.5
495.34503	2.0
497.36356	2.4
509.36237	3.6
513.35760	31.9
515.38068	7.8
525.36224	2.4
527.37372	50.5
531.37115	4.5
533.39807	5.8
537.34070	2.5
543.36432	2.0
545.38025	6.7
551.40881	3.4
553.38654	2.1
555.37903	2.4
574.17334	2.0
594.99329	2.0
597.45203	2.0
607.43665	42.2
625.44659	44.5
646.99133	2.0
653.40369	2.0
671.41644	2.4
679.60156	2.0
689.42297	3.4
751.46564	2.7
769.48242	3.2
772.70367	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	840.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	4.2
65.03937	6.0
67.05506	94.9
69.03434	8.5
69.07069	42.7
71.04988	9.0
73.02923	3.6
79.05496	87.7
81.03418	8.2
81.07059	99.5
83.05000	11.7
83.08629	24.6
85.02910	7.2
85.06549	5.6
86.09694	17.3
91.05483	93.7
93.07050	89.8
95.04971	14.3
95.08613	60.1
97.02883	7.6
97.06522	14.6
97.10165	18.6
99.04424	2.7
99.08102	4.8
103.05470	4.2
105.07036	100.0
107.04975	11.4
107.08590	60.0
109.06513	6.9
109.10172	29.4
110.29828	1.9
111.08086	6.6
115.05474	6.9
117.07022	36.6
119.04910	2.5
119.08586	72.7
121.06519	4.9
121.10148	30.7
123.08061	6.2
123.11744	13.0
125.00019	7.8
125.09642	14.4
127.03912	5.8
128.06221	6.8
129.07002	26.8
130.07802	3.1
131.08565	54.8
133.06543	3.7
133.10133	60.6
133.11104	4.4
135.08066	9.3
135.11691	26.7
137.09654	5.2
139.11183	2.3
141.07013	7.3
142.07765	6.2
143.08571	31.5
144.09373	2.7
145.10124	46.0
147.08038	2.2
147.11699	41.5
149.05969	2.3
149.09634	12.1
149.13246	14.1
155.08600	15.4
156.09302	3.3
157.10132	26.2
159.08055	3.3
159.11696	35.2
161.09647	4.9
161.13269	20.4
163.11192	6.6
163.14845	3.5
167.08580	5.9
168.09312	2.7
169.10117	18.9
171.10262	3.7
171.11665	22.9
171.89624	2.3
173.11867	4.2
173.13228	16.4
175.11220	4.2
175.14859	9.0
177.12819	5.2
177.16357	2.6
179.14346	4.8
181.10149	10.3
183.11674	19.6
184.07343	40.8
185.13246	18.2
187.11192	2.5
187.14832	8.3
189.11290	5.0
189.12752	3.5
189.16373	2.5
191.14305	3.3
195.11745	8.8
195.13657	2.3
197.13297	13.9
199.11194	3.0
199.14833	11.5
201.12703	3.1
205.10156	2.6
206.86987	3.0
209.13286	9.4
210.68521	2.5
211.14795	7.7
213.16405	4.5
221.13333	2.8
225.16347	3.8
227.12830	7.7
227.17993	3.1
229.14252	5.3
237.16333	6.3
239.17873	6.4
241.19511	12.4
251.17993	2.6
253.19667	3.5
255.15886	5.4
257.18994	11.7
259.20578	38.2
269.17538	7.2
273.18582	3.5
275.20108	32.5
297.22260	2.4
315.23209	6.3
321.22372	3.1
327.23370	2.9
331.22598	3.1
333.24292	40.1
349.23718	19.5
365.28452	4.7
381.31683	2.8
417.32120	3.2
419.24258	2.6
421.31284	6.7
435.32608	2.9
453.33588	4.0
497.36996	3.1
513.35919	34.9
515.38666	7.2
527.37238	24.6
533.39581	8.4
545.38525	6.6
551.40875	4.9
555.36713	2.0
567.40546	2.8
607.43530	51.5
625.44611	54.4
787.49554	3.0
840.48590	4.5
867.65320	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43533	3.3
65.03933	4.6
67.05509	66.5
69.03418	5.8
69.07082	24.7
70.16248	14.5
79.05493	58.2
81.03407	11.2
81.07061	74.6
83.04987	9.7
83.08606	13.2
87.04468	11.5
91.05486	91.4
93.07046	55.8
95.04971	16.1
95.08606	39.0
97.02853	4.5
97.06528	11.4
97.10173	6.2
99.15131	3.9
103.35132	3.8
105.07037	100.0
107.04945	8.2
107.08604	42.7
109.06528	9.2
109.10159	45.5
111.08104	5.1
117.07030	23.7
119.08589	54.8
121.06478	10.0
121.10153	25.6
123.08043	7.8
123.11704	11.0
124.99947	6.0
129.07007	18.0
131.08571	30.2
133.10141	78.1
135.08040	7.9
135.11688	16.2
136.06174	5.2
137.09647	4.2
143.08539	13.7
145.10135	21.9
147.08078	6.1
147.11702	23.0
149.09625	8.9
149.13281	10.4
151.11201	26.5
155.08571	6.5
157.10121	11.9
159.08083	4.3
159.11662	17.8
161.09654	7.7
161.13249	16.1
161.14494	3.9
163.11208	4.1
167.08447	4.7
169.10182	8.1
171.11684	10.8
173.13297	10.0
175.14806	7.8
183.11659	7.3
184.07375	17.1
185.13277	5.4
187.14758	4.0
195.11639	3.9
203.52222	3.6
215.12898	6.1
219.11504	3.9
224.25893	3.6
231.20934	4.3
241.19505	15.3
245.19220	4.6
253.14348	40.8
259.20554	41.3
273.18546	17.1
275.20084	5.4
291.19638	20.8
315.23114	7.4
324.82907	4.0
333.24203	35.2
341.62381	4.9
365.23251	29.1
437.31000	5.2
511.34219	13.1
513.35706	4.4
529.35724	18.0
531.38342	5.5
543.36536	5.2
549.39093	8.0
605.41895	19.5
623.43121	59.7
641.43170	5.4
676.09924	4.3
733.40515	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	838.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.6
67.05511	58.3
69.03426	10.1
69.06726	3.2
69.07072	38.1
69.55195	1.7
69.77675	11.1
71.04972	3.6
71.08654	2.2
79.05495	60.5
81.03420	10.1
81.07060	59.9
83.04979	6.5
83.08622	17.5
85.02906	4.2
85.06548	3.9
86.09691	3.8
87.04469	5.2
91.05485	59.6
93.07043	58.2
95.01287	2.0
95.04977	14.1
95.08057	2.8
95.08611	35.5
97.02889	13.6
97.06525	6.9
97.10178	21.7
99.08123	1.8
105.04504	2.3
105.07038	61.3
107.04947	8.7
107.08609	33.8
109.02873	2.0
109.06518	5.5
109.10166	19.9
111.08088	4.7
115.05492	3.4
117.07024	25.3
119.04939	2.5
119.08583	53.6
121.06507	5.2
121.10140	19.8
123.04459	2.4
123.08090	6.0
125.00012	2.1
125.09634	17.0
126.98973	2.2
128.06258	3.7
129.07025	14.2
131.08572	30.2
133.06499	5.0
133.10130	40.4
135.08052	8.9
135.11713	14.1
136.06206	9.6
137.09570	2.2
141.06943	2.9
143.08569	11.6
145.06496	2.6
145.10126	21.5
147.08051	3.0
147.11685	29.6
149.09622	4.9
149.13312	6.8
153.09167	2.0
154.43132	2.4
155.08582	7.8
157.10129	14.9
159.11736	13.8
160.12514	2.1
161.09634	3.1
161.13274	20.2
163.11134	4.1
167.08594	2.5
169.10162	7.0
169.75880	2.1
171.11707	11.1
171.16777	2.1
173.13217	12.3
175.11185	5.1
175.14827	7.5
177.12762	3.7
183.11705	7.6
184.07332	9.8
185.13281	9.7
187.14793	5.7
189.11153	8.0
195.11644	3.9
197.13313	3.6
199.14853	5.8
205.12181	2.5
210.74805	2.2
213.16325	2.9
223.13298	18.3
227.12801	10.5
231.21069	2.5
241.19537	17.6
245.13789	2.0
245.18945	2.9
257.18906	2.3
259.20587	48.4
267.15704	2.3
273.18488	8.0
275.20010	6.7
291.19553	100.0
299.23535	2.9
315.23318	9.0
333.24231	57.2
342.76279	2.1
365.23248	41.0
379.29922	4.0
513.37268	2.5
514.08221	2.0
518.98157	2.0
523.33820	2.3
525.35242	10.6
529.35590	3.0
531.38281	4.1
543.36859	12.6
574.58752	2.2
605.41895	10.2
623.33264	3.7
623.43042	58.5
641.43799	10.0
731.42340	2.3
838.54376	2.7
849.47504	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	837.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	0.6
65.30674	0.3
67.05487	1.0
69.03440	2.1
69.23711	3.0
70.06597	0.4
73.02905	0.8
75.43401	0.4
79.05483	0.7
81.03419	1.4
84.08105	0.4
85.02917	3.1
87.04456	0.5
91.05469	0.7
93.07060	1.0
94.06560	2.2
95.04981	0.4
95.07365	0.7
96.08118	2.3
97.02905	1.7
98.97556	0.4
99.04470	0.7
103.05448	0.4
105.07033	0.4
106.06552	0.4
107.07362	1.0
108.08112	3.9
109.02903	0.5
110.09681	3.0
112.70413	0.3
118.06628	0.3
120.04462	1.4
120.08100	4.0
122.06022	4.5
122.09669	2.7
124.07601	0.9
127.03890	1.1
134.05988	0.4
135.06517	0.3
136.07582	7.0
138.05540	0.7
138.09129	6.4
146.06036	1.1
148.07570	4.3
150.09142	3.9
152.07053	1.0
160.04042	0.8
162.05499	0.6
164.07097	0.9
166.08633	13.9
168.10222	0.6
172.03938	2.2
172.07455	0.4
174.05478	0.5
176.07158	0.4
176.10727	0.6
178.08688	0.4
180.10258	0.4
182.11710	0.3
184.09979	0.3
190.04984	1.9
194.08150	0.8
197.10632	0.7
198.11540	0.4
198.54324	0.4
198.82594	0.3
204.06555	2.0
211.08716	0.6
211.12306	0.6
223.08693	0.6
223.12384	0.4
225.10286	2.3
226.11014	0.4
227.11823	2.2
235.08597	0.6
236.09337	0.8
237.10229	4.7
238.11003	1.0
239.08212	0.6
239.11774	2.6
241.09674	0.8
248.09460	1.2
249.10258	4.0
250.07140	0.4
250.11089	1.7
251.08203	1.5
251.11778	4.0
252.08948	0.4
252.12636	1.2
253.09726	3.5
253.12506	0.4
253.13115	0.3
254.10661	0.4
255.11240	2.5
261.10196	2.8
262.10962	0.8
263.11813	4.6
264.08987	0.5
265.09735	8.5
265.12973	0.4
266.10556	1.2
266.13669	0.4
267.11298	4.5
269.09650	0.5
269.12854	2.0
271.10831	1.3
273.12445	0.9
276.08853	0.5
277.09726	2.0
278.06622	0.8
278.10562	2.8
279.07806	1.8
279.11237	10.9
280.12131	1.5
281.09418	1.7
281.12958	1.6
282.10001	0.9
283.10791	4.6
283.14178	0.5
284.11624	0.6
285.12463	1.2
287.13867	2.0
289.09695	7.0
290.10388	0.5
291.11334	3.1
292.08304	0.5
292.12186	0.4
293.09277	4.0
293.12921	3.5
294.09982	2.3
295.10852	3.0
295.14044	0.6
296.11557	2.0
297.09283	0.6
297.12332	2.4
299.10345	1.4
302.13773	0.4
305.09177	0.4
305.12964	0.3
306.09903	0.8
307.10834	3.3
308.11493	0.7
309.12329	3.5
310.13220	0.7
311.10324	3.7
311.13943	2.5
312.11026	2.5
313.11835	2.2
314.12561	1.4
315.13571	0.6
317.09088	1.0
319.10712	0.4
321.08765	0.8
321.12344	1.2
323.10275	2.1
323.14041	2.0
324.11096	1.4
325.11847	3.9
326.12546	2.2
327.13324	4.4
335.10251	12.9
336.11002	0.5
337.11752	2.2
339.09808	1.1
339.13394	29.5
340.10654	2.0
340.14197	0.6
341.11359	2.1
341.15182	1.0
343.13150	0.8
349.11679	0.6
351.09601	0.6
352.10663	0.9
353.11331	6.8
354.12030	3.9
354.15927	0.6
355.12842	10.9
356.13589	0.4
357.14517	1.8
358.11862	0.4
365.11203	0.5
367.12878	29.2
368.13489	0.9
370.15564	0.8
376.16739	0.5
382.15845	0.6
386.14615	0.6
387.15457	0.5
390.18304	0.5
398.14975	0.8
399.15811	1.6
400.16428	0.6
402.18192	0.4
404.15915	0.5
414.18283	0.7
416.16110	1.1
418.17770	0.8
428.15939	0.6
430.17746	0.5
432.19305	1.1
440.15866	0.4
442.17599	0.6
444.19531	0.8
446.17184	0.6
455.85980	0.4
458.17126	1.5
459.17981	0.4
460.18823	2.8
470.17349	0.8
472.19092	0.6
474.20419	1.0
478.19818	1.1
487.17123	0.6
488.18179	9.1
490.19885	0.6
492.21368	1.7
502.19812	1.0
506.19235	4.8
520.20789	11.7
534.19092	0.5
552.23517	4.7
611.25037	6.0
622.23596	0.6
632.22668	0.5
643.27625	1.7
650.23578	6.9
654.26221	0.7
664.24603	0.4
682.26038	100.0
683.26630	3.9
714.28638	13.6
715.29761	0.7
773.30670	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	831.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08163	1.1
61.02645	0.5
61.02934	6.4
67.05515	3.3
69.03438	3.9
69.07075	0.6
69.29246	0.3
69.43774	0.6
69.44171	2.0
71.01356	0.5
71.04990	0.8
71.07377	0.3
71.08637	2.1
73.02921	4.7
77.78990	0.3
79.05507	0.4
81.03416	2.0
81.07076	1.8
83.04979	0.4
83.08646	1.5
85.02910	7.7
85.03432	0.4
85.10190	1.0
86.09708	3.6
87.04472	0.4
91.03961	4.9
91.05494	0.5
93.07063	0.9
95.05026	0.3
95.08631	2.1
97.02899	6.6
97.10155	0.4
98.98508	0.3
99.04474	1.1
101.02410	1.7
105.06313	0.3
105.07111	0.4
109.02910	1.0
109.10165	3.6
115.03931	0.7
119.08561	0.3
125.00025	1.9
127.03941	2.1
129.05458	0.4
131.08540	0.4
137.13399	0.3
143.93985	0.3
145.05008	0.8
173.11740	1.0
184.07350	10.4
185.04282	1.1
185.07742	1.5
185.09210	0.3
195.10020	0.7
203.05411	0.8
229.14513	0.9
239.23607	0.4
243.08482	1.5
256.69989	0.3
305.08441	0.3
313.27313	1.8
347.09509	2.7
350.00577	0.3
363.09186	0.6
365.10779	1.0
405.13693	5.7
413.17880	6.6
497.30963	8.6
521.22485	0.4
575.23273	5.4
659.36218	8.2
659.46649	1.2
669.42010	3.2
680.22229	0.3
771.95654	0.3
813.56256	0.4
831.47150	100.0
832.47626	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	831.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	6.1
67.05514	5.9
69.03429	3.3
69.07066	0.6
69.97871	1.9
71.01356	1.0
71.04985	0.9
71.07365	0.7
71.08622	1.2
73.02919	4.9
79.05489	0.7
81.03410	1.7
81.07055	2.2
83.08620	1.0
85.02903	6.8
85.10158	0.7
86.09708	2.7
91.03962	5.4
91.05488	0.9
93.07042	0.7
95.08600	1.6
97.02900	5.9
97.10144	0.6
99.04451	1.4
100.95811	0.4
101.02382	2.2
107.08599	0.7
109.02882	1.0
109.10152	6.4
114.68489	0.4
119.08559	0.6
124.99938	0.5
127.03938	2.3
145.05031	0.7
155.10718	0.8
173.11739	2.7
184.07347	2.8
185.04274	1.4
195.09981	0.7
203.05309	0.7
229.14395	1.0
243.08429	2.7
251.12659	0.6
266.28418	0.5
313.27441	1.1
343.72821	0.4
347.09387	3.1
365.10593	1.2
384.24750	0.4
405.08423	0.4
405.13608	6.8
413.17819	12.8
479.73108	0.4
497.30936	6.1
537.30170	0.5
575.23193	10.3
647.48657	0.6
648.48877	2.5
659.36127	5.7
669.42017	4.3
738.40015	0.5
771.47644	0.6
772.48419	3.1
831.46918	100.0
832.47156	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	830.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06633	0.4
59.00169	0.1
59.07399	0.2
60.08163	5.8
67.05495	0.1
69.21661	0.6
69.22077	0.3
70.06598	0.1
71.06976	0.2
71.07372	3.3
86.09704	28.4
88.52563	0.1
98.98463	3.3
104.10741	3.0
107.08607	0.1
125.00001	19.4
131.24202	0.1
136.93111	0.1
140.15990	0.1
184.07336	100.0
185.07674	0.6
275.64908	0.1
534.31732	0.2
712.45306	1.1
794.53406	3.0
812.54291	4.9
813.54932	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.5541
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06633	0.4
60.08164	5.5
63.36980	0.1
67.05508	0.1
70.06603	0.1
71.07376	3.8
71.08606	0.1
71.26012	0.1
71.59167	0.1
79.05489	0.2
81.07070	0.1
86.09708	29.3
87.10043	0.6
91.05527	0.1
93.07057	0.1
95.08628	0.1
95.93350	0.1
96.81796	0.1
98.98470	3.5
104.10744	3.1
105.07065	0.1
107.08617	0.1
119.08557	0.1
125.00008	19.5
126.00369	0.2
135.11679	0.1
137.06078	0.1
138.41594	0.1
140.46873	0.1
143.01053	0.1
149.34785	0.1
166.02664	0.1
184.07344	100.0
185.07709	1.5
186.07834	0.4
347.88611	0.1
382.51721	0.1
404.44733	0.1
430.50031	0.1
521.21863	0.1
551.23035	0.1
623.40631	0.1
658.45544	0.1
712.45050	0.3
794.53326	3.8
794.66736	0.1
795.52777	0.2
812.54181	4.1
813.53821	0.2
830.53491	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21304	0.2
59.62739	0.3
61.02927	3.8
67.05511	3.6
69.03427	2.7
69.07063	1.2
71.01372	0.3
71.04991	0.4
71.07355	0.2
71.27587	0.3
72.98859	0.3
73.02916	3.6
79.05491	4.6
81.03411	1.4
81.07056	3.9
83.04974	0.6
83.08624	0.8
85.02905	3.8
86.09734	1.4
91.03957	2.9
91.04481	0.4
91.05481	4.6
93.07043	5.9
95.01122	0.3
95.04955	0.5
95.08605	3.3
97.02892	3.3
97.06568	0.4
99.04464	0.6
101.02367	1.6
103.05456	0.3
104.10747	0.4
105.07030	3.5
107.08595	3.0
109.02917	0.5
109.10167	1.2
111.08127	0.2
115.03962	0.5
117.07030	1.1
119.08593	2.8
120.08993	0.3
121.10134	1.8
125.00021	0.9
127.03922	1.0
129.05591	0.5
129.07018	0.6
131.08563	1.6
133.10135	2.4
135.11671	1.5
137.06033	0.4
143.08586	0.5
145.10176	1.1
147.11694	2.0
149.13335	0.8
157.10234	0.5
159.11760	0.8
161.13324	0.8
171.11823	0.5
173.13310	0.6
175.14853	0.5
184.07327	4.2
185.04213	1.3
185.07742	0.6
199.14906	0.3
201.03760	0.3
203.05353	0.5
241.06935	0.5
243.08400	3.6
259.20749	1.1
276.89001	0.3
301.08841	2.2
313.09064	0.8
315.10400	1.4
317.08374	0.3
317.20853	1.3
333.24625	0.4
341.12051	0.4
355.13562	0.4
371.16925	0.4
373.11191	0.4
373.23752	0.3
383.16788	0.4
385.18378	0.5
387.12769	0.3
397.18549	0.6
423.19656	0.3
427.00156	0.3
429.17773	0.4
437.21548	0.7
465.21024	2.3
495.22290	0.6
517.28070	0.5
525.22931	2.0
535.28796	14.3
536.28937	0.4
607.31055	1.7
621.32330	0.5
635.34088	0.3
649.35687	0.6
657.45349	0.6
663.36963	0.3
731.43610	0.4
759.43097	0.5
811.53845	0.3
829.50720	100.0
830.51080	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	828.5383
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06628	0.4
59.07394	0.2
60.08163	6.4
65.39812	0.1
65.40166	0.1
67.05507	0.2
69.07049	0.2
69.38005	0.5
70.06593	0.2
71.07371	3.7
76.65833	0.1
79.05510	0.2
80.97459	0.1
81.07065	0.2
81.43938	0.1
83.08611	0.1
86.09704	33.0
87.10055	0.2
91.05473	0.2
93.07040	0.1
95.08605	0.1
97.06557	0.1
98.98465	3.6
104.10744	3.4
104.57372	0.1
105.07050	0.1
114.18732	0.1
119.08572	0.1
121.10127	0.1
125.00002	22.1
126.00364	0.1
129.06984	0.1
131.08531	0.1
133.10001	0.1
136.26813	0.1
137.06017	0.1
140.66959	0.1
143.01048	0.2
156.97508	0.1
166.02661	0.1
173.62759	0.1
174.98592	0.2
184.07336	100.0
185.07692	0.5
192.75191	0.1
195.00391	0.1
203.60698	0.1
213.00101	0.6
214.00041	0.1
275.81512	0.1
302.17633	0.1
498.29910	0.1
506.24054	0.2
612.42603	0.1
613.43091	0.1
656.44690	0.3
710.44055	0.8
718.39410	0.2
739.29980	0.1
774.50464	0.1
792.38110	0.2
792.51727	2.3
810.52832	3.9
811.52570	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	828.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06617	0.6
58.85469	0.1
59.07375	0.1
59.28050	0.1
60.08163	6.2
67.05490	0.3
69.07053	0.1
69.83943	0.2
69.84351	0.4
70.06583	0.2
71.07373	4.0
71.08640	0.1
72.08137	0.1
74.10007	0.1
79.05486	0.3
81.03410	0.2
81.07053	0.2
83.08625	0.2
86.09704	33.6
87.10034	0.2
91.05473	0.3
93.07036	0.2
95.08592	0.2
98.98466	3.6
102.09219	0.1
104.10748	4.2
105.07033	0.2
107.08615	0.1
119.08595	0.1
121.10190	0.1
125.00003	22.1
131.08562	0.1
136.06204	0.6
137.05975	0.3
147.11723	0.1
154.94144	0.3
161.05952	0.1
163.07631	0.1
165.17020	0.1
172.95219	0.1
184.07336	100.0
185.07707	0.7
186.07838	0.1
193.12227	0.1
203.98019	0.1
228.97903	0.2
383.29901	0.1
402.22720	0.4
420.23441	0.1
447.17993	0.1
521.21118	0.2
534.32178	0.1
627.46173	0.1
634.78485	0.1
656.45032	1.3
728.45074	1.6
792.51709	0.1
810.52802	3.0
828.54016	5.2
829.54272	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	3.4
66.77912	0.4
67.05507	4.9
69.03429	2.4
69.07070	2.4
71.01363	0.5
71.05007	0.6
71.56534	0.4
73.02937	3.0
74.51501	0.4
79.05500	4.6
79.88088	0.4
81.03419	1.4
81.07059	4.4
82.61736	0.5
83.05011	0.6
83.08617	1.0
85.02892	4.0
86.09724	1.4
91.03970	2.8
91.05487	4.0
93.07040	5.2
95.04974	1.3
95.08611	2.7
97.02886	3.6
97.06563	0.7
99.04465	0.5
101.02396	1.7
104.68095	0.4
105.07028	3.7
107.04974	0.9
107.08601	2.4
109.02885	0.7
109.06521	0.7
109.10168	1.9
112.99962	0.7
117.07027	1.1
119.08614	2.9
121.10167	1.4
125.00025	1.2
127.03933	0.7
129.07060	0.7
131.08585	1.7
133.10161	3.1
135.11726	1.3
143.08556	0.7
145.10187	1.4
147.11723	1.8
149.09679	0.7
149.13293	0.6
157.10139	0.9
158.75107	0.5
159.11766	0.7
161.13354	0.7
179.14339	0.5
184.07333	4.0
184.08521	0.4
200.99397	0.4
203.05348	0.6
229.14442	1.3
230.14803	0.6
243.08382	4.3
259.20490	0.5
275.20401	0.6
301.09018	1.5
313.27341	1.0
314.27966	0.9
315.10742	0.8
315.19281	4.9
349.07944	0.4
351.11545	0.5
371.22159	0.9
465.21161	1.6
467.37131	0.6
468.37601	1.1
495.22040	0.5
533.27203	10.1
535.28821	7.2
605.29669	1.0
633.33966	0.6
647.33710	0.7
657.75031	0.5
827.49170	100.0
828.49268	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	826.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05012	2.5
61.02927	8.9
65.03955	0.7
67.05505	50.6
69.03436	1.9
69.07066	4.4
71.04985	2.2
71.08633	15.0
71.57104	0.4
71.57511	0.5
73.02912	2.7
79.05487	1.3
81.03412	1.1
81.07059	12.7
83.04997	0.5
83.08621	9.0
85.02908	10.5
85.06547	1.6
85.10188	8.8
86.09698	1.3
89.06018	0.6
89.46906	0.3
91.03958	7.3
91.05482	3.2
92.74945	0.3
93.07051	2.0
95.08609	12.3
97.02882	5.8
97.06548	0.4
97.10155	3.6
99.04438	0.8
99.11724	0.6
99.65926	0.4
101.32574	0.3
103.07607	0.6
107.08590	1.2
109.02872	0.5
109.10156	57.8
110.10475	0.5
111.08096	2.4
111.11712	0.6
115.03934	0.6
119.08575	4.2
121.10132	0.5
123.11704	2.4
125.00008	0.6
125.36765	0.3
127.03917	2.6
131.08507	0.5
137.09637	3.0
137.13274	0.8
145.04964	3.7
151.14827	0.5
155.10648	5.4
163.06024	4.3
173.11737	17.1
184.07318	2.9
200.96982	0.3
229.14351	100.0
230.14618	0.9
239.23735	1.4
257.24698	1.6
276.17514	0.4
288.78668	0.3
313.27362	78.7
314.27847	1.1
467.37332	63.5
468.37601	1.3
504.69925	0.4
519.11682	0.4
546.52728	0.5
570.79724	0.4
599.14709	0.5
629.40967	0.3
720.32037	0.4
734.22076	0.4
767.42444	0.4
826.49457	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54056	2.0
58.99795	1.7
61.02920	2.8
65.03919	3.4
67.05505	50.3
69.03424	2.3
69.07069	16.2
69.35860	10.5
69.36261	4.7
71.04992	1.9
79.05067	3.0
79.05495	40.7
81.03436	2.1
81.07059	44.3
83.04970	2.3
83.08617	8.6
85.02948	2.8
86.09744	3.2
89.93504	2.2
91.03956	1.9
91.05483	44.6
93.07042	45.9
95.04971	4.5
95.08609	35.2
97.06523	3.5
97.10177	4.6
103.05515	2.3
105.07036	47.0
107.08591	23.9
109.06501	2.1
109.10165	12.7
115.05457	2.7
117.07021	23.3
119.07793	3.1
119.08593	37.4
121.06567	2.4
121.10134	21.7
123.11732	6.5
124.99999	2.2
128.06229	3.1
129.07008	17.3
130.07796	2.1
131.08568	28.6
133.10132	26.6
135.11678	14.1
136.72034	1.8
141.07001	4.5
143.08574	15.8
145.10144	24.0
147.11673	16.5
149.09763	2.1
149.13286	4.4
155.08557	6.8
157.10158	17.1
159.11687	17.7
161.13264	7.8
167.08571	5.7
169.10172	13.4
171.11661	12.6
173.13240	12.1
175.14879	5.7
181.10141	8.3
183.11720	11.0
184.07306	10.8
185.13254	10.6
187.14862	7.2
193.10114	3.5
195.11696	6.4
197.13333	9.1
199.14874	6.5
201.16417	4.1
209.13249	5.8
211.14781	5.7
213.16411	4.7
216.31244	2.0
221.13179	2.3
223.14839	4.1
223.62042	2.0
225.16403	4.3
229.07053	1.8
229.19579	2.5
235.14836	2.8
237.16386	3.9
239.18027	2.6
241.19612	3.6
251.17975	2.4
257.19037	6.5
259.20639	5.2
263.18185	2.0
313.27469	2.5
323.23737	2.4
325.25558	2.0
327.23059	2.9
333.24258	6.5
335.25790	3.5
501.36111	2.3
513.35413	2.8
517.40131	11.9
535.41156	6.2
539.37207	3.3
591.44330	8.9
609.45160	100.0
610.45612	3.7
771.49957	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	823.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05408	0.6
69.03371	0.9
70.06501	0.6
70.60043	0.4
70.89268	1.1
79.05397	1.4
79.05802	0.5
80.04919	1.1
81.06989	0.5
82.06490	1.2
85.02793	1.5
88.38644	0.5
91.05391	1.1
93.05689	0.7
93.06909	3.2
94.06435	6.2
95.04854	0.8
95.07219	4.6
95.08522	0.6
96.08000	13.1
96.08676	1.1
97.02793	1.2
97.06396	1.3
103.05380	0.9
106.06474	0.6
107.07253	0.6
108.04393	1.0
108.07986	11.3
108.08767	0.9
110.09540	22.2
110.10374	1.6
116.04833	1.9
118.06435	0.9
120.04456	4.4
120.07961	13.8
122.05886	4.1
122.09574	0.9
123.06726	0.7
124.07600	7.2
134.05818	1.7
136.07578	10.7
138.05521	2.9
138.09143	35.5
138.10135	1.3
144.04459	3.6
146.06004	5.2
148.03806	0.7
148.07561	6.0
150.05405	1.0
150.08983	2.2
152.06895	2.2
160.03960	3.1
162.05486	3.3
164.07069	4.5
166.05014	3.0
166.08644	60.0
167.08893	0.7
171.63574	0.5
172.03938	32.3
174.05305	1.5
176.06935	1.0
178.04881	1.7
182.07979	1.8
184.09724	0.7
188.06886	0.5
190.04988	14.0
192.06413	1.0
196.09711	0.5
197.10634	0.7
204.06570	23.3
209.10713	0.7
210.11360	0.9
211.08548	0.6
212.09270	1.8
213.10153	1.1
216.06499	1.1
222.11313	0.7
223.08530	0.8
223.12189	1.1
224.09326	0.9
225.10196	4.0
226.10933	0.9
227.11777	3.6
228.08844	0.6
235.08514	0.7
236.09271	1.9
237.08058	0.8
237.10205	9.4
238.10825	2.2
239.07994	1.3
239.11687	3.1
241.09676	2.4
245.12750	2.1
247.14436	3.2
249.10031	0.9
250.10846	1.1
251.08034	1.5
251.11797	6.7
252.08839	1.2
252.12526	0.8
253.09724	5.2
253.13252	1.3
255.11261	2.3
261.10300	0.8
263.11761	1.2
264.08725	0.8
265.09698	14.0
266.10361	2.5
267.11194	3.6
268.08127	0.7
269.12683	2.1
271.10843	4.2
273.12390	5.4
277.09656	0.8
278.06598	4.9
278.09702	0.6
279.08438	0.7
279.11301	9.0
280.08246	1.7
280.11423	0.7
281.09164	2.0
281.12717	3.5
283.10718	4.9
284.11325	0.6
285.12335	2.5
287.13800	1.5
291.11063	1.4
292.08112	1.5
293.09180	14.7
294.10019	2.9
295.10641	1.3
296.11523	1.0
297.12332	7.7
299.10159	2.6
299.13849	1.8
300.10892	1.2
302.17355	1.1
303.17764	0.8
305.09070	0.5
307.10718	4.5
309.12299	4.8
311.10144	2.2
312.11017	3.0
313.11813	4.7
317.09021	0.6
323.10400	2.8
324.11203	0.6
325.11829	23.1
327.13464	1.4
329.15103	0.5
335.10248	7.5
339.13528	0.8
340.10535	3.1
341.11298	11.5
342.12021	0.9
343.12830	2.1
347.15869	0.7
353.11328	15.0
355.13043	0.8
356.13644	0.6
357.14465	10.0
364.21024	1.2
365.21533	0.6
373.13925	10.2
385.13937	4.4
390.18134	0.7
398.14798	1.1
399.15570	2.1
400.16318	0.6
404.15814	0.7
406.17636	0.6
412.16663	0.5
416.15997	1.5
418.17621	1.2
420.19171	0.7
428.16083	0.6
432.19055	0.6
433.15790	0.6
436.18350	0.7
437.19257	1.6
442.17776	1.0
446.17349	1.7
450.20322	0.9
458.17096	2.7
460.18686	3.0
462.20441	1.1
464.17841	0.9
465.18854	6.0
476.18454	0.6
478.19882	4.1
479.20135	0.5
487.16794	2.3
488.18124	3.6
490.19812	0.8
496.20569	2.3
506.19241	100.0
507.19678	2.4
508.21106	1.2
510.22229	1.4
520.20618	2.7
538.21869	76.4
539.22406	2.3
611.25037	9.3
624.25134	0.7
629.26239	2.9
640.25366	0.5
643.27576	2.5
661.28546	1.4
668.24670	1.3
683.27148	1.2
700.26752	0.8
773.30316	2.6
785.71027	0.5
798.68951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	20.8
57.07069	1.5
59.05016	1.0
61.02928	73.1
65.03938	1.8
67.05506	31.9
69.03431	26.0
69.07068	7.5
71.01355	3.9
71.05003	4.3
71.09971	0.8
71.57066	1.6
73.02920	19.4
75.04462	1.4
79.05498	21.5
79.05965	1.6
81.03419	23.2
81.07056	28.4
82.07417	1.2
83.01342	1.6
83.04994	5.9
83.08628	4.7
85.02906	100.0
87.04461	3.1
91.03957	50.1
91.05482	16.4
93.07048	23.9
95.04990	5.7
95.08604	24.7
97.02894	70.4
97.06540	2.1
97.10181	1.5
99.00846	1.2
99.04457	10.5
101.02380	4.4
102.49932	0.8
103.03941	12.6
105.07037	12.7
107.04964	1.6
107.08596	14.1
109.02885	12.2
109.06533	3.9
109.10161	12.4
111.04415	4.3
111.08074	1.5
115.03932	5.6
117.05497	2.3
117.07003	4.4
119.08577	9.2
121.06521	1.8
121.10144	14.0
123.08061	0.9
123.11743	5.0
125.09673	2.2
127.03920	35.5
129.05502	4.9
129.07004	2.7
131.08585	9.0
133.06482	1.3
133.10132	8.4
135.08116	1.5
135.11700	7.4
137.05946	1.1
137.13309	1.7
141.07001	1.0
143.08580	2.3
145.04962	29.8
145.10124	7.4
147.06560	1.1
147.08073	1.0
147.11670	6.3
149.02397	1.4
149.09644	1.0
149.13292	5.1
151.14842	1.0
155.08553	1.1
157.10156	2.3
159.06508	2.2
159.11699	6.6
161.13234	4.5
163.06021	21.8
163.07384	1.6
163.14844	3.0
165.12724	1.2
169.10112	1.0
171.06599	2.1
171.11734	3.0
173.09575	1.1
173.13214	4.8
175.11121	1.7
175.14880	1.9
183.06519	9.4
183.11684	1.3
184.07381	2.4
185.09708	1.0
185.13261	1.7
187.11137	1.1
187.14853	3.1
193.12245	1.1
197.13306	0.9
199.14812	2.0
201.07672	5.1
201.16385	1.3
219.08746	1.7
223.14940	0.9
225.12918	1.0
243.21066	5.6
259.20599	2.8
261.22131	13.1
275.19986	1.7
277.21622	1.7
279.23358	1.6
285.22110	1.5
289.21384	1.2
299.23718	1.0
303.23178	2.6
309.21872	1.1
315.23129	2.8
317.24866	1.7
319.22775	0.9
327.23160	2.6
333.24365	1.3
335.25787	56.5
336.26483	1.0
341.24799	1.5
345.24222	1.4
351.23276	2.6
353.26959	2.5
363.25232	2.7
369.24167	5.6
377.26932	3.9
387.25302	3.2
389.26917	1.7
405.26273	2.6
419.27823	1.0
431.28149	1.3
443.28061	7.1
461.28961	6.7
479.30106	11.6
497.30966	5.0
500.65134	0.9
580.27368	0.8
821.42139	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	0.7
65.03930	0.4
67.05495	0.8
69.03405	1.0
70.06580	0.5
71.56600	0.6
79.05469	0.9
80.84467	0.3
81.03391	1.3
81.07048	0.5
82.06580	0.5
85.02894	1.4
86.09722	0.5
89.03902	0.6
89.42720	0.3
89.71600	0.3
91.05477	1.1
93.07049	1.7
94.06557	1.4
94.25146	0.3
95.04935	0.6
95.07338	1.0
95.08602	0.4
96.04486	0.3
96.08144	2.7
97.02882	0.7
97.06519	1.5
98.97592	0.4
103.05437	0.7
105.06979	0.6
106.06528	0.6
107.08576	0.3
108.08131	2.5
110.09688	4.3
115.89613	0.3
116.04977	2.0
117.07001	0.3
119.08578	0.6
119.10206	0.3
120.04485	0.7
120.08120	3.8
122.06037	4.2
122.09610	0.5
124.07580	4.1
129.77972	0.4
134.05962	0.6
136.07584	6.1
137.05998	0.4
137.08310	0.3
138.09128	5.3
143.58080	0.3
144.04453	5.2
144.08023	0.4
145.05171	0.6
145.10150	0.3
146.06029	2.3
147.04442	0.4
148.07547	2.2
150.05484	1.5
150.09145	0.8
152.07031	1.3
155.07343	0.3
155.08548	0.5
158.06003	0.5
158.09654	0.4
160.03889	1.5
160.07524	0.8
162.05504	2.9
166.08644	9.6
170.09657	2.7
172.03935	29.0
172.07274	0.5
172.11224	1.2
173.04387	0.4
174.05463	1.1
174.09201	0.7
175.08650	0.7
180.08154	0.4
182.09645	0.4
183.06656	0.7
184.07471	1.0
184.11208	0.7
186.09111	0.3
187.08701	0.8
187.12303	2.9
188.10707	0.6
190.03386	0.5
190.04991	6.3
192.06569	0.5
197.08542	0.3
197.10742	0.6
198.09140	18.2
200.09354	1.2
200.11052	1.6
204.06560	47.6
205.06917	0.6
206.08011	0.6
210.09142	0.6
211.06320	0.3
211.08687	0.4
212.10776	3.7
213.10266	0.6
215.11804	15.3
225.10228	1.0
226.08644	5.5
226.10806	0.7
227.08163	0.9
227.11710	2.1
228.08839	1.0
229.09695	0.8
229.13400	0.8
231.11203	0.9
236.09348	0.4
237.10316	0.4
239.11749	0.5
240.10457	2.6
241.09691	1.2
241.13348	1.4
242.10568	1.1
243.11287	90.0
244.11559	1.5
251.11748	0.4
253.09833	0.6
255.11296	7.6
256.12119	0.8
257.12805	5.2
269.09207	0.7
279.11270	1.2
283.10831	1.1
284.11420	0.6
285.12329	86.2
286.12668	1.4
292.09140	0.4
293.09027	0.4
297.12396	2.1
298.13269	0.5
301.11832	8.6
302.12311	0.6
302.17465	1.4
303.13385	100.0
304.13754	2.1
307.10831	1.0
313.11819	0.6
315.09921	0.6
325.11789	7.7
329.14865	0.7
339.13773	0.6
343.12823	1.0
346.20282	0.9
351.13596	0.4
357.14423	11.0
358.15286	2.0
359.15894	1.4
364.20984	0.4
365.21274	0.5
418.17593	1.3
428.15936	0.4
429.14496	0.7
429.39929	0.3
430.17319	1.1
434.17499	0.4
456.15918	0.4
462.16403	2.2
470.17072	1.6
474.16452	2.7
476.18134	3.4
487.16733	1.8
488.17953	1.0
494.19193	3.0
506.19455	0.5
519.19727	0.5
573.25385	0.6
583.25433	5.2
599.25055	1.8
609.23633	1.6
623.25348	0.6
627.24487	15.3
628.24847	0.7
641.26044	10.5
659.26587	2.3
757.48291	0.4
803.30872	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.575
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06361	0.2
58.06625	0.4
59.96442	0.2
60.08164	6.0
65.73224	0.2
67.05498	0.3
71.07379	3.4
71.56633	0.3
78.79791	0.1
79.05476	0.2
81.07072	0.5
86.09708	29.7
87.04465	0.2
87.10039	0.4
98.98470	3.6
104.10736	2.3
125.00009	19.8
142.84003	0.2
166.02699	0.3
176.03012	0.2
184.07346	100.0
185.07741	1.2
186.07808	0.5
285.18585	0.2
716.48755	1.0
780.55463	0.3
798.56152	1.5
816.57495	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	814.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00615	0.1
58.06309	0.1
58.06623	0.4
59.07390	0.2
60.08164	5.9
67.05479	0.2
69.07052	0.1
69.93196	0.2
71.07374	3.5
79.05493	0.2
80.97451	0.1
81.07035	0.1
86.09706	30.8
87.10040	0.1
91.05474	0.1
93.07031	0.2
95.08605	0.1
98.21394	0.1
98.98461	3.4
104.10744	2.1
125.00006	20.8
143.01074	0.2
163.89282	0.1
166.02686	0.1
184.07341	100.0
185.07655	0.4
276.78168	0.1
337.15036	0.1
518.32611	0.2
760.04321	0.1
778.53839	9.8
779.53546	0.4
807.30450	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	815.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71094	0.1
56.96562	5.3
62.88181	0.1
70.06586	0.2
71.26113	0.3
74.99419	0.2
76.45438	0.1
84.96014	0.6
85.02884	0.2
98.97585	6.7
110.97571	1.3
112.99142	0.2
116.98628	2.0
123.01187	0.3
124.99152	0.4
127.00687	0.3
128.98630	1.2
131.00166	0.3
134.99651	0.2
139.00670	1.5
141.02240	0.3
143.00165	0.5
145.01759	0.2
146.99623	0.3
151.00652	0.6
152.98486	0.2
155.00107	0.2
157.01768	0.9
158.99605	1.1
159.03253	0.3
161.01172	0.3
163.00664	0.4
167.00139	0.3
169.01685	1.1
170.99631	0.5
171.03232	0.2
175.02895	0.2
175.04332	0.6
177.00661	0.7
177.02191	0.4
179.03726	0.2
181.01668	0.6
183.03291	0.2
184.00516	0.2
185.01276	0.2
187.02779	0.6
189.00710	0.4
189.02251	0.6
191.03758	0.2
193.01645	0.2
193.05392	3.9
195.03314	0.4
197.04826	0.4
199.02777	0.3
201.00755	0.7
203.03815	1.1
205.01828	0.4
205.05359	6.0
207.03300	1.8
209.04872	0.3
211.02951	0.3
211.06416	3.8
219.01736	5.6
219.06737	0.2
221.04880	3.3
223.06425	30.5
224.06677	0.4
225.04370	2.4
229.07329	0.2
235.06441	0.8
237.02747	4.5
237.07912	0.2
239.05910	0.9
241.07486	8.2
242.03423	0.2
246.08023	0.8
247.06439	9.6
251.05925	0.6
253.07428	1.3
255.03720	0.2
259.47983	0.2
264.09183	0.2
265.07474	14.8
267.10947	0.3
269.63556	0.2
271.08600	0.6
277.07510	0.9
279.08932	0.8
282.01425	0.2
283.08536	11.7
288.09070	0.6
289.07446	0.6
293.07007	0.6
297.06335	0.2
301.09668	0.5
306.10141	0.3
307.08566	3.7
309.10205	0.2
315.07477	0.2
325.09503	0.5
337.09604	0.7
349.09497	0.9
355.10544	0.2
367.10660	34.9
368.10858	0.6
385.11627	0.7
409.11786	0.3
411.15250	0.4
427.12772	100.0
428.13126	2.1
458.72751	0.2
604.41113	0.2
815.29785	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06634	0.5
59.07390	0.2
60.08163	5.8
67.05516	0.1
69.07059	0.1
69.24887	0.7
70.06587	0.2
71.07374	3.5
74.91230	0.1
79.05493	0.2
81.07024	0.1
86.09705	30.6
87.10029	0.2
91.05484	0.3
93.07042	0.2
95.08602	0.2
98.98464	3.2
104.10743	2.5
105.07017	0.1
118.39298	0.1
119.08588	0.1
125.00002	21.3
125.88458	0.1
131.08427	0.1
135.11674	0.1
139.10207	0.1
142.83470	0.1
143.01033	0.2
156.97369	0.1
166.02679	0.2
170.83879	0.1
173.32578	0.1
184.07338	100.0
185.07738	0.4
213.00101	0.3
228.45920	0.1
351.47235	0.1
506.25098	0.1
518.32672	0.1
575.07227	0.1
720.41656	0.1
776.52209	8.4
777.51758	0.3
835.29352	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	812.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06619	0.5
59.07396	0.1
59.35324	0.1
60.08167	6.1
67.05488	0.2
70.03091	0.2
70.03492	0.2
70.06602	0.1
71.07375	3.5
71.79402	0.1
77.18987	0.1
79.05495	0.1
81.07035	0.1
86.09707	31.9
87.10001	0.1
91.05472	0.1
93.07018	0.2
95.08611	0.3
98.63021	0.1
98.98463	3.1
104.10743	3.0
107.08576	0.1
107.40153	0.1
109.06541	0.1
119.08588	0.2
122.93801	0.1
125.00005	21.2
137.00134	0.1
143.01073	0.1
166.02666	0.2
184.07341	100.0
185.07689	0.4
288.13412	0.1
306.13699	0.1
518.32336	0.1
753.47137	0.2
794.53290	11.8
795.53741	0.5
836.79352	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	811.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.3
59.05010	0.5
61.02927	4.8
64.22194	0.4
64.99969	0.3
67.05499	6.4
69.03428	3.8
69.07069	3.2
69.89423	2.0
71.01357	0.6
71.05003	1.9
73.02913	4.0
74.15456	0.4
79.05492	7.9
79.05908	0.7
81.03419	6.2
81.07061	7.0
83.04987	1.4
83.08634	1.4
85.02908	6.3
85.06561	0.5
86.09708	0.7
91.03967	2.1
91.05485	7.8
93.07043	6.1
95.04975	2.9
95.08613	3.4
97.02898	5.0
97.06550	1.4
97.10188	1.0
99.04465	1.1
101.02398	2.0
103.03997	0.6
105.07025	5.2
107.04965	1.1
107.08601	3.3
109.02950	1.0
109.06522	0.7
109.10184	1.4
111.08085	0.5
117.07008	1.1
119.08585	3.6
121.06535	0.8
121.10116	2.4
123.08119	0.8
125.00021	0.5
125.09647	0.8
127.03934	1.8
128.06274	0.5
129.06998	2.5
131.08556	2.4
133.10139	2.7
135.08134	0.4
135.11685	1.0
137.06017	0.6
143.08572	1.0
145.10158	1.0
147.11694	2.9
149.09587	1.9
149.13316	0.5
151.11171	0.6
157.10210	1.4
161.13240	0.5
163.11220	0.4
165.12889	0.4
165.85197	0.5
171.11748	1.3
173.04536	0.5
175.11215	0.7
184.07321	1.9
185.04280	0.6
185.07799	0.4
189.12709	0.8
193.12292	1.0
203.05338	0.9
207.13899	0.9
225.14883	1.0
233.11505	0.4
243.08395	3.6
267.16110	0.8
281.17578	2.1
283.15137	3.1
287.16632	0.5
301.08914	0.5
333.20325	2.0
339.17972	0.8
353.44363	0.4
389.18936	0.5
389.23312	0.5
439.19711	0.9
453.21185	0.7
462.97519	0.5
469.20486	0.7
469.30002	0.5
483.22452	0.5
487.30582	3.1
501.23083	12.3
551.28223	8.0
567.33429	1.1
573.25342	0.5
631.34857	0.6
645.27393	0.7
721.38202	1.0
811.44452	100.0
812.44647	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	810.5279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68970	0.1
58.06352	0.2
58.06619	0.4
59.07384	0.2
59.09034	0.1
60.08167	6.6
62.99020	0.1
67.05501	0.3
68.07581	0.1
69.07062	0.2
69.28759	0.3
69.29172	1.0
70.06562	0.2
71.07378	3.9
71.08619	0.1
72.24876	0.1
79.05485	0.2
86.09709	35.2
87.10038	0.5
91.05466	0.2
93.07015	0.2
98.98473	3.6
104.10752	3.8
107.08571	0.2
119.08543	0.1
125.00009	23.3
126.00328	0.2
141.26308	0.1
170.42285	0.1
184.07347	100.0
185.07718	2.0
186.07780	0.6
196.86237	0.1
382.27988	0.1
627.45959	0.3
774.55133	0.2
792.54596	0.2
810.52802	10.8
811.52728	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5277
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06616	0.4
60.08163	6.7
66.07970	0.2
67.05492	0.3
68.24510	0.1
69.34884	0.1
69.72110	0.8
71.07372	3.4
79.05486	0.1
81.07071	0.3
86.09705	33.5
86.78769	0.2
91.05495	0.2
93.07013	0.2
95.73602	0.1
98.98471	3.2
102.95839	0.1
104.10744	2.8
105.07052	0.2
107.08608	0.2
113.57856	0.1
122.79632	0.1
123.78406	0.1
125.00004	22.1
184.07338	100.0
185.07674	0.5
195.00316	0.2
213.00247	0.2
307.88318	0.1
333.62997	0.1
345.63541	0.2
458.22357	0.1
459.06000	0.1
489.21860	0.3
516.30670	0.2
549.91803	0.2
595.90466	0.2
747.41663	0.2
792.51740	9.3
793.51031	0.4
810.52905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5695
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06622	0.6
59.07387	0.1
60.08165	6.6
67.05506	0.2
70.06588	0.2
71.07377	3.8
71.08608	0.1
71.42487	0.2
81.07035	0.2
86.09706	32.6
87.10043	0.2
91.05457	0.1
93.07024	0.1
95.08617	0.2
98.98473	3.5
98.99133	0.2
104.10741	2.9
105.07024	0.2
109.10134	0.3
125.00007	21.3
143.01118	0.1
166.02716	0.1
184.07341	100.0
185.07747	0.4
217.99249	0.1
276.68472	0.1
314.73380	0.1
356.12943	0.1
447.91968	0.1
470.37329	0.1
501.92349	0.1
517.12775	0.1
650.43915	2.6
690.47083	2.2
754.53857	0.5
758.25769	0.1
772.54871	2.1
790.55902	2.1
808.57068	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	810.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06981	4.3
57.07284	1.0
60.08103	0.7
62.20828	0.5
62.96585	0.6
67.05407	5.9
69.06969	2.8
69.84998	3.1
71.07269	9.5
71.07693	1.3
71.08530	2.9
79.05383	5.0
81.06945	7.1
83.04897	1.3
83.08512	2.1
85.10107	1.4
86.09591	58.4
86.10172	5.7
87.43245	0.6
88.75564	0.6
91.05363	4.1
93.06936	4.0
95.04904	1.1
95.08489	4.5
97.10072	1.4
105.06884	2.8
107.08457	2.6
109.06407	0.6
109.10049	2.2
117.06891	0.6
119.08477	1.2
121.10079	1.3
123.11598	1.1
125.00008	3.7
131.08411	1.8
133.10045	1.2
145.10056	0.8
146.98187	20.6
146.99268	1.1
147.11665	0.7
154.22211	0.6
159.11584	0.7
163.01469	0.8
184.07343	9.9
238.18436	0.6
285.47659	0.6
303.19168	0.7
309.89096	0.6
315.19208	0.9
327.38547	0.6
333.20410	0.9
457.49023	0.6
515.37146	1.0
627.45917	58.4
628.46558	2.1
644.74854	0.7
726.99207	0.7
751.45123	100.0
752.45197	3.3
810.52502	46.9
811.53326	1.7
815.81287	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	2.7
57.03415	2.8
61.02928	5.1
67.05488	8.4
69.03424	7.5
69.07063	4.5
71.56802	2.4
73.02921	2.6
79.05481	9.1
81.03409	6.6
81.07047	9.2
83.08585	2.3
85.02899	14.9
86.09726	3.2
91.03947	3.6
91.05476	9.7
93.07050	11.3
94.06598	12.4
95.04990	2.6
95.07347	5.9
95.08601	9.4
96.08147	17.2
97.02883	8.4
97.06517	3.7
98.97530	2.8
103.05476	2.0
105.07016	5.1
106.06538	2.5
107.07315	3.2
107.08555	2.8
108.04482	2.9
108.08109	28.7
109.02895	4.1
109.10167	3.8
110.09689	29.3
117.06982	2.4
119.08538	2.4
120.08109	17.5
121.06510	3.0
122.06054	10.8
122.09674	5.5
124.07594	5.1
127.03907	5.2
129.06998	2.1
130.35583	1.9
133.10156	2.4
136.07591	21.9
137.05980	3.9
137.08359	2.9
138.09151	40.3
146.06004	3.7
148.07550	10.4
150.09215	11.8
152.07060	5.5
160.03941	4.6
160.07561	2.3
164.07205	3.5
166.08643	75.1
167.07079	2.7
168.10216	6.5
172.03925	6.6
184.07402	3.4
190.04944	5.8
197.10634	3.8
204.06514	10.5
211.12239	6.1
213.10263	6.0
223.08652	10.5
223.12402	2.2
224.09349	3.1
225.10233	34.4
225.13654	3.6
226.10968	8.2
227.11853	12.0
236.09334	2.2
236.12927	3.1
237.10233	27.2
237.13811	2.8
238.11009	12.4
239.08089	6.7
239.11769	33.2
240.10368	2.3
240.12617	7.4
241.13326	5.2
242.10698	4.2
249.10248	6.5
250.11186	4.5
251.08209	18.7
251.11786	25.5
252.12616	6.0
253.09689	20.1
253.13336	16.2
254.10506	12.1
255.11385	3.1
255.14899	3.5
263.11743	10.6
264.12576	8.2
265.09720	45.8
265.13342	28.4
266.10507	23.4
266.14017	4.3
267.11246	12.1
267.14835	4.2
268.12039	2.4
269.12717	5.2
271.10742	4.6
273.12411	3.0
277.09634	4.0
277.13342	2.4
278.10471	4.1
279.08286	4.1
279.11264	35.7
280.11935	3.5
281.12842	27.4
282.13724	4.3
283.10788	20.2
283.14389	11.8
284.11679	3.3
285.12357	46.7
286.13086	4.2
287.13953	3.4
291.11307	6.2
293.09732	2.7
293.12833	16.7
294.13477	5.0
295.10941	4.6
295.14355	8.6
296.11472	4.1
297.12430	24.3
298.13101	7.1
299.13895	23.0
301.15457	3.4
307.10675	10.4
309.12360	19.3
310.12955	7.2
311.10480	2.8
311.13882	27.6
313.15591	4.3
321.12436	8.9
325.11880	31.4
326.12534	8.5
327.13397	78.5
331.12302	8.6
337.11768	12.1
338.12579	19.0
339.13409	25.3
349.20462	3.6
357.14560	11.6
358.15332	6.3
359.16028	8.7
360.16776	2.5
369.14304	7.8
370.15305	3.5
371.15961	8.2
372.16983	4.0
387.04739	2.5
390.17825	2.7
400.16693	2.3
414.18332	2.6
418.17160	10.6
422.21036	3.1
432.19177	5.4
436.18549	2.5
442.17752	3.4
446.21075	3.9
448.18399	7.1
450.19992	6.2
451.21030	2.8
460.18732	11.5
462.19958	4.6
464.21555	5.3
465.22601	10.6
466.23230	7.3
474.20151	8.7
480.21350	11.7
490.19684	18.9
491.20572	29.4
492.21310	100.0
493.21707	3.9
509.21506	6.4
522.22290	9.1
523.23138	72.0
524.23950	49.0
559.27765	7.1
585.26617	2.6
587.28546	7.0
613.26544	69.8
614.26282	4.1
636.24933	2.7
645.29218	55.0
652.24994	2.5
653.25867	82.2
654.26508	20.7
684.27332	2.7
685.28491	48.2
686.28638	7.5
739.29675	2.9
775.31183	6.3
786.89740	2.1
807.42853	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	807.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	1.3
57.03440	1.4
61.02914	2.6
67.05489	3.3
69.03417	3.2
69.07058	1.5
70.06578	0.7
71.04971	1.1
73.02901	1.0
73.13582	0.8
79.05498	3.5
79.78705	0.8
80.04993	1.1
81.03422	3.6
81.07041	3.2
82.06537	0.7
83.04987	1.0
83.08620	1.0
85.02901	6.3
87.04456	1.0
91.03940	2.1
91.05479	2.9
92.14725	0.8
93.07041	5.5
94.06570	5.1
95.04912	0.9
95.07327	3.7
95.08580	2.1
96.08129	7.6
97.02860	3.8
97.06522	3.3
97.11826	0.8
98.20737	2.4
98.97600	0.9
99.04464	0.9
105.07023	1.5
106.06535	1.0
107.08600	1.4
108.04466	1.5
108.08120	11.4
109.02879	1.4
109.08897	0.8
109.10180	0.9
110.09681	14.8
110.57248	0.7
111.75854	0.7
117.07020	0.9
119.08543	1.2
120.04471	1.3
120.08111	11.6
121.06490	1.4
121.10114	0.9
122.06049	4.8
122.09677	2.5
124.07584	3.6
125.02382	0.9
127.03923	1.9
131.27219	0.7
134.06052	0.9
136.07570	11.1
137.05978	3.3
138.09142	23.9
139.09456	0.7
145.04947	0.9
146.06056	1.2
148.07588	5.9
150.09113	4.9
152.07095	2.9
160.03958	2.5
161.06013	1.0
163.03917	1.2
164.07019	1.4
166.08643	36.1
167.07024	0.8
168.10242	2.3
170.82643	0.9
172.03975	4.7
174.09108	1.4
184.07375	1.0
190.05008	3.0
197.10875	0.8
204.06564	8.0
209.10799	0.9
211.08730	1.1
211.12299	2.2
212.09464	1.9
213.10292	4.5
215.07162	0.8
216.10138	0.8
223.08650	9.3
223.12273	1.1
224.09448	1.1
224.12923	0.8
225.10233	30.6
226.10872	4.6
227.11751	7.4
229.14384	1.0
235.08777	1.0
236.09564	1.4
237.06657	1.1
237.10214	13.0
237.13940	1.2
238.11011	7.7
239.08115	2.2
239.11780	18.4
240.12589	2.8
241.13478	2.1
249.10349	2.6
250.11023	3.1
251.08208	10.6
251.11832	13.3
252.12566	2.2
253.09755	12.5
253.13361	7.2
254.10448	4.4
255.11252	1.6
255.15070	0.9
263.08673	0.7
263.11737	3.8
264.08939	1.7
264.12631	2.2
265.09756	28.8
265.13339	10.8
266.10541	9.7
266.14078	2.3
267.11304	7.3
267.14319	1.2
267.14865	1.1
268.12030	1.0
269.09637	1.1
269.12894	2.7
270.10120	0.7
271.10840	4.4
271.14346	1.0
273.12433	1.3
277.09732	2.1
277.13211	0.9
278.10535	2.1
279.11292	16.4
280.09567	1.4
280.12231	1.2
281.12842	10.4
282.13452	1.8
283.10815	11.8
283.14432	6.3
284.11563	5.2
285.12332	46.1
286.13187	6.0
287.05612	1.5
287.13910	3.4
291.11206	1.8
293.12836	7.1
294.13568	2.4
295.10797	2.7
295.14398	4.0
296.11700	2.3
297.12372	18.7
298.13147	9.3
299.13870	16.7
300.14392	0.9
301.15356	0.9
307.10800	2.4
308.11630	1.0
309.12189	6.4
310.13138	3.3
311.10266	1.2
311.13852	14.9
313.12018	0.9
313.15564	3.0
318.16125	1.1
321.12469	4.1
323.10388	1.9
325.11853	15.1
325.15475	1.4
326.12637	4.5
327.13394	36.8
328.14130	1.3
330.15945	1.5
337.11783	7.5
338.12631	10.0
339.13354	10.1
340.13861	1.1
343.12939	1.5
344.13983	1.1
344.17700	0.9
355.12949	1.9
357.14447	12.2
358.15256	5.6
359.15942	10.5
359.19952	1.0
360.16782	1.0
363.10916	0.9
369.14478	1.8
370.15305	2.8
371.16193	3.7
372.17123	1.8
376.16577	1.0
378.18173	1.4
390.18076	1.6
391.18808	1.0
392.19611	1.0
393.19882	0.9
404.19965	1.7
416.19971	1.2
418.17462	5.4
419.18506	1.0
420.19122	1.3
432.18958	3.7
436.18585	1.0
446.20810	2.2
448.18564	1.9
450.20316	6.7
451.21072	3.5
452.37970	0.9
460.18732	1.8
462.20163	2.4
463.21011	1.1
464.21765	3.3
465.22665	1.0
466.23544	0.9
474.20157	2.9
478.19260	1.5
480.21301	4.8
490.19669	6.8
491.20502	8.8
492.21274	38.8
493.21985	1.3
509.21527	2.2
522.22369	8.0
523.23145	100.0
524.23907	70.1
524.31995	1.5
525.23865	1.8
595.25262	2.5
596.23761	1.0
613.26617	33.7
614.27002	1.3
627.37219	2.3
645.29132	61.0
646.28723	1.5
652.24713	0.8
653.25812	9.7
654.26501	3.7
685.28363	22.4
686.28461	2.5
775.31311	1.2
789.42493	1.6
806.43323	1.1
807.44000	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	807.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
61.02904	1.7
65.03903	0.9
67.05505	4.0
69.03433	1.0
69.07073	0.9
69.30733	4.9
70.06564	0.8
71.63387	0.5
76.44113	0.6
79.05479	2.3
81.03391	1.1
81.05788	0.7
81.07056	1.3
82.06561	0.8
83.08620	0.6
85.02916	2.9
91.05480	2.5
93.07035	3.5
94.06564	6.9
95.07336	3.1
95.08620	1.7
95.09222	0.6
96.07647	0.7
96.08144	7.1
97.02893	1.2
97.06525	1.8
98.97540	0.8
106.06548	1.3
107.04968	1.0
107.08607	1.1
108.04492	2.3
108.08125	6.8
109.10118	0.8
110.06054	0.9
110.09682	10.3
120.08096	8.5
122.06046	10.1
122.09678	1.5
124.07584	1.4
127.03918	0.7
132.04425	1.2
134.06020	2.1
136.07584	6.5
137.08398	1.1
138.09137	18.0
144.08095	0.7
146.05998	1.1
148.07608	3.7
150.09119	3.8
152.07069	2.3
158.99625	0.6
160.03946	7.3
164.07047	3.4
166.08640	30.7
168.04318	0.6
172.03908	2.2
174.05501	0.7
178.04979	2.1
180.26274	0.6
190.05028	1.0
199.08658	2.1
204.06578	2.8
204.10248	0.6
210.11311	0.5
211.08707	2.5
211.12285	1.2
212.09375	1.0
212.13065	0.7
213.10217	2.7
221.10857	0.6
222.11334	1.0
223.08661	2.9
223.12309	1.1
224.09157	0.6
224.13028	0.9
225.10207	12.7
225.13760	1.3
226.10954	4.7
227.11757	3.3
235.08698	1.1
235.12260	1.5
236.09419	0.9
237.10210	5.7
237.13925	2.5
238.11032	4.5
239.08200	4.7
239.11766	12.5
240.12617	3.5
241.09763	0.9
241.13380	0.7
248.09409	1.1
249.10236	6.3
250.11029	6.2
251.08130	5.5
251.11771	15.9
252.08890	0.8
252.12543	4.4
253.09674	3.9
253.13356	9.0
254.10474	10.9
255.11285	1.4
262.11078	1.1
263.11804	10.8
264.08829	1.4
264.12582	7.5
265.09805	5.9
265.13367	23.1
266.10632	2.0
266.14182	1.3
267.11340	4.9
267.14700	2.9
268.12225	0.7
269.12869	1.6
271.10760	2.1
275.11755	0.9
277.09863	2.1
277.13263	0.9
278.10547	2.1
279.11276	9.6
280.12094	1.0
281.12823	10.3
282.10092	0.8
282.13428	1.9
283.10828	6.9
283.14468	5.1
284.11743	1.5
285.09406	1.2
285.12332	10.9
285.25873	0.6
286.13010	1.5
291.11359	2.9
292.12039	1.7
293.09583	1.0
293.12787	7.3
294.10583	0.8
294.13635	2.3
295.10706	3.8
295.14359	1.6
296.11490	4.3
297.12381	5.3
298.13104	2.0
299.13922	12.3
302.17548	0.6
303.13513	0.9
307.10849	1.3
309.12338	53.1
310.13007	3.5
311.13898	25.3
312.14484	1.1
313.11862	1.5
314.13016	0.6
316.14670	0.8
319.10773	1.9
320.11499	1.4
321.12201	4.9
324.10983	2.1
325.11868	2.7
325.15433	1.0
326.12549	0.6
327.13391	77.8
328.13724	2.0
335.14270	0.6
337.11841	12.6
338.12555	7.9
339.13412	16.1
340.14084	1.0
341.14975	3.1
353.14929	0.8
357.14334	3.7
358.15240	2.4
359.16025	5.5
369.14426	27.0
370.15277	2.6
371.16013	36.4
372.16501	1.6
375.74905	0.6
384.17230	0.8
386.18741	1.6
404.19672	2.8
414.18005	2.2
416.19739	11.7
418.17453	1.3
430.17542	3.6
432.19131	5.6
442.17679	2.8
448.18597	15.1
460.18680	62.7
461.18863	1.8
462.20279	0.7
474.20193	3.7
478.20032	1.0
480.21301	44.0
481.21527	2.0
490.19376	1.0
492.21283	100.0
493.21997	3.2
522.22229	2.0
524.23822	1.9
567.25781	0.7
595.25482	4.8
613.26538	47.7
614.26508	1.5
627.27521	2.4
645.29083	10.1
654.26642	1.8
734.22455	0.7
807.32660	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.8
57.02637	0.2
58.06356	0.3
58.06624	0.5
60.08163	5.7
69.07098	0.2
69.31593	1.4
71.03455	0.2
71.07372	3.6
77.46085	0.2
79.05496	0.3
81.07041	0.4
81.08286	0.2
86.09705	30.6
87.10055	0.2
98.98467	3.1
104.10751	2.8
109.10210	0.2
116.01128	0.2
125.00004	20.6
140.47076	0.2
144.62088	0.2
159.21872	0.2
161.13333	0.2
166.02696	0.2
184.07338	100.0
185.07735	0.4
186.56450	0.2
248.82057	0.2
257.17734	0.2
273.08530	0.2
282.69168	0.2
315.62430	0.2
452.73694	0.2
462.52570	0.2
518.53284	0.2
569.25781	0.2
580.39038	0.3
650.43695	1.5
690.47284	1.5
752.52112	0.3
770.53448	1.6
788.41931	0.2
788.54413	2.3
806.55316	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	806.432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03368	2.8
61.02847	8.2
61.03182	1.0
65.03873	1.8
65.04180	0.5
65.70058	0.5
66.17965	0.6
67.05419	20.6
67.05818	2.3
69.03346	3.6
69.06980	5.3
71.04907	1.7
71.44756	0.8
71.98273	0.6
73.02832	3.4
77.03838	0.6
79.05401	29.1
79.05896	2.3
81.03325	21.8
81.06965	18.7
81.07479	1.2
83.04891	6.5
83.08523	6.8
85.02902	6.0
85.06499	1.3
86.09634	0.9
91.03860	3.7
91.05384	30.8
91.06001	2.2
92.07046	0.5
93.07043	26.5
93.07574	1.2
95.04964	13.1
95.08607	12.4
97.02791	5.1
97.06525	2.8
97.10067	2.4
97.10682	0.6
99.04372	1.0
99.08051	0.9
103.05454	1.2
105.04436	0.8
105.07037	21.6
105.07677	1.3
106.98631	0.6
107.04966	5.5
107.08599	9.6
109.06512	4.0
109.10152	4.2
111.07977	2.1
112.99043	0.6
115.05371	1.6
116.06171	0.6
117.07030	5.6
119.04977	4.9
119.08573	13.4
119.09371	0.6
121.06400	2.4
121.10146	5.6
123.04424	4.6
123.07959	2.4
123.11598	1.3
124.73191	0.6
125.09521	0.9
127.03870	1.3
127.07481	0.8
128.06122	1.7
129.07008	9.2
131.04840	1.4
131.08553	7.4
133.06496	3.2
133.10136	8.2
135.04399	3.2
135.07945	1.8
135.11583	1.5
136.06189	9.6
137.05983	29.2
137.06976	0.9
137.09505	1.2
138.00427	0.5
141.06935	0.9
142.07664	0.8
143.04839	0.6
143.08545	4.0
145.06491	3.8
145.10133	3.4
147.04405	5.3
147.08025	4.0
147.11699	12.1
149.06009	4.7
149.09616	7.2
154.08516	1.2
155.08521	0.8
157.06374	2.5
157.10135	3.8
159.08049	3.6
161.05978	9.7
163.07515	5.2
163.11133	0.8
164.06898	0.7
165.05368	1.0
165.12700	1.2
169.10094	0.6
171.07982	2.3
171.11685	6.7
173.06001	5.1
173.09515	0.8
175.07558	7.9
175.11179	4.1
177.08983	0.9
183.07928	1.5
184.07280	1.1
185.05914	1.2
185.09541	1.1
187.07565	9.0
187.11115	1.0
189.09117	3.5
189.12749	1.4
191.07008	1.2
193.12241	7.9
195.07864	0.9
197.09448	1.3
199.07396	2.2
201.09222	2.7
205.08496	0.7
207.13747	1.9
211.07474	0.6
211.11671	0.5
211.13318	4.8
213.09007	1.6
215.10715	1.0
225.08963	0.6
227.10703	1.0
257.15396	6.1
267.13654	1.0
281.17560	5.3
283.16898	0.7
285.14893	6.2
302.17493	6.7
303.15967	4.8
311.16354	2.3
328.18961	1.3
329.17416	10.0
341.17831	1.3
346.20108	8.7
347.18457	1.3
358.19821	0.7
376.21191	0.8
385.19998	1.2
402.22632	0.9
403.20837	1.2
419.38696	0.6
420.23651	2.5
438.25009	0.7
505.46072	0.6
535.76801	0.5
626.35333	2.3
627.35455	1.7
644.37927	100.0
645.38464	2.9
686.38837	1.0
722.39301	1.5
743.04779	0.6
752.39807	3.4
770.40576	3.8
788.42877	3.5
806.43207	76.3
807.43781	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	805.329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	0.7
61.02931	1.5
65.03950	0.6
66.46462	0.5
67.05503	1.2
68.35101	0.5
68.71200	0.6
69.03430	2.7
69.89882	1.9
79.05501	1.7
81.03429	2.2
81.07078	0.9
82.06590	0.8
85.02906	3.8
91.05454	1.6
93.07045	2.0
94.06554	4.6
94.58121	0.6
95.04929	0.7
95.07358	1.7
95.08646	0.7
96.08125	4.7
97.02889	1.8
97.06525	0.9
98.20776	0.6
103.05482	1.0
105.04610	0.6
105.07023	1.1
106.06567	1.0
107.07313	0.6
107.71584	0.6
108.04504	2.2
108.08116	9.1
109.02900	0.9
109.10175	0.8
110.09695	6.3
116.04989	2.2
118.06516	0.6
120.04491	3.1
120.08110	5.6
121.06507	0.5
122.06039	5.7
122.09702	1.3
124.07580	4.8
127.03920	0.6
134.06029	2.6
136.07587	8.5
138.05489	0.6
138.09145	9.1
144.04427	3.7
144.08113	0.5
146.06004	5.6
148.06572	0.6
148.07549	3.6
150.09164	0.7
152.07097	1.8
160.03999	2.7
162.05498	3.4
163.09644	0.6
164.03392	0.6
164.07053	1.6
166.08656	14.3
172.03946	25.8
172.07674	0.9
174.05568	2.3
176.07162	2.9
184.07404	0.9
186.05528	1.1
186.09187	0.9
188.07082	0.7
190.05009	19.1
197.10783	1.7
199.08658	0.8
199.12421	1.9
204.06570	39.7
209.10771	0.8
210.09283	1.5
210.11523	0.6
211.08636	3.3
212.09451	1.7
213.10342	1.1
223.08711	1.3
223.12440	0.9
224.09315	1.0
225.10193	8.5
226.10983	1.2
227.11792	13.4
236.09357	1.3
237.10204	2.8
238.11037	2.2
239.11858	2.6
241.09720	0.9
241.13496	1.5
245.12880	0.9
249.10289	1.5
251.08257	1.2
251.11810	2.8
252.08992	0.7
253.09749	6.0
253.13489	1.0
255.11226	0.9
263.08188	0.8
264.09073	2.3
265.09805	2.0
266.10474	0.8
267.11301	2.3
269.12881	16.7
271.10800	8.2
273.12393	3.1
277.09729	1.9
278.10565	1.1
279.11230	4.8
281.09265	0.8
281.12949	1.1
283.10770	5.9
284.11523	4.7
285.12283	4.5
286.13116	1.4
287.13937	11.9
289.12985	0.6
293.12418	0.6
294.10104	0.7
295.10834	2.0
297.12381	9.8
298.10770	0.9
299.14194	3.0
305.09564	0.5
307.10818	1.9
309.12466	1.4
312.15097	1.8
313.12646	1.3
314.13135	1.8
315.13800	1.0
316.14572	1.8
321.08655	1.1
323.10272	6.3
324.11212	0.7
325.11829	21.0
326.12970	0.9
326.16592	1.4
327.13712	4.3
328.10846	2.4
328.14542	3.5
329.11594	0.7
329.15237	1.9
330.12466	1.3
330.16110	2.3
331.16794	1.7
340.14554	0.7
341.11945	1.3
342.12350	7.0
342.15933	1.0
343.13046	5.4
343.16830	0.7
344.13852	1.3
344.17618	1.0
352.14334	1.1
354.12317	0.9
354.16229	1.1
355.13095	1.5
356.13925	6.2
357.14438	22.9
358.15445	3.9
365.11029	0.7
368.17764	0.7
370.15503	5.3
371.16245	1.8
372.17242	1.2
374.15540	1.2
378.17975	1.8
380.14011	1.2
382.11722	3.5
383.12744	2.2
384.13321	4.8
385.14117	3.3
386.14957	2.0
386.19208	3.5
387.15588	0.7
388.16641	0.9
390.18130	3.2
394.15674	1.6
397.14758	1.2
398.15021	21.8
398.20029	1.2
399.15796	28.1
400.16489	2.5
401.13724	0.7
402.18439	1.1
404.16040	6.0
412.16571	1.4
414.18243	4.1
416.16055	18.4
417.16742	1.1
422.16562	1.2
428.15988	4.3
430.17828	2.6
440.16235	7.1
446.17157	7.0
448.18509	0.8
458.17157	27.9
459.18033	1.0
469.15887	0.9
478.19693	3.2
487.17117	10.0
490.19809	9.5
519.19788	1.6
523.23590	0.8
539.26556	0.7
565.24414	1.5
567.25616	0.7
569.23944	3.5
575.22412	0.9
583.25507	1.6
593.23523	4.5
595.25562	0.8
611.25031	100.0
612.25342	3.1
620.22980	0.7
643.27643	24.9
644.28491	0.9
731.30243	0.7
745.30096	1.1
773.30286	33.1
774.30981	1.0
805.32312	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	804.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86058	1.9
57.03437	11.3
57.07065	4.7
59.05025	2.1
60.14497	2.0
61.02909	2.3
65.03939	6.8
67.05507	100.0
68.05833	3.3
69.03449	9.9
69.07071	35.6
70.07394	2.0
71.04971	5.7
71.08636	33.7
71.56294	2.1
71.56666	3.2
72.97465	1.6
73.02895	2.7
77.92240	1.6
79.05494	76.2
80.05775	2.1
81.03419	23.2
81.07059	92.8
82.03735	2.0
82.06573	4.5
82.07394	5.1
83.04986	14.2
83.08622	25.3
85.02902	4.2
85.06562	9.0
86.09682	3.7
91.05478	63.5
92.05844	2.1
93.07044	74.0
94.07366	4.5
95.04440	2.2
95.04977	19.6
95.08608	47.8
96.08955	2.8
97.02896	5.4
97.06550	16.2
97.10170	15.6
98.06054	4.4
98.98486	6.1
99.08092	24.7
103.05430	2.2
105.04523	3.4
105.07030	51.1
106.07377	4.4
107.04962	14.3
107.08598	51.0
108.08168	3.1
108.08896	2.4
109.02831	2.5
109.06522	8.0
109.10162	27.0
111.08092	5.1
113.09671	5.0
115.05417	2.9
117.07020	17.2
119.08578	36.4
121.06491	5.3
121.10154	20.1
123.08089	5.9
123.11684	5.9
124.01595	2.6
124.99976	2.2
125.09602	12.0
127.03954	3.7
128.06236	3.0
129.07005	7.8
131.08554	20.5
132.08984	2.3
133.06505	2.5
133.10127	28.4
134.10495	4.5
135.08070	8.3
135.11674	20.0
137.09604	4.6
137.13251	2.5
139.11189	4.7
141.06984	2.2
142.07788	3.0
142.12262	12.8
143.08577	8.3
145.10130	15.6
146.10464	2.5
147.08069	5.0
147.11702	15.4
149.09598	7.7
149.13312	9.9
151.11192	30.6
153.09079	3.5
155.01088	2.4
155.08481	2.9
156.09329	1.8
157.10124	7.7
159.11681	10.3
161.09659	4.4
161.13287	17.4
163.11198	24.9
163.14815	5.4
165.12785	3.3
169.10133	2.4
170.10504	2.6
171.10309	2.4
171.11673	7.9
173.04477	3.7
173.11887	3.2
173.13290	7.0
175.14845	4.1
177.12766	4.7
179.14340	16.6
184.07333	8.6
185.13278	5.1
187.14893	2.2
189.11214	7.8
189.12729	2.5
195.13815	2.9
196.13333	12.1
197.13182	2.7
199.14828	3.2
207.13828	1.8
214.14398	2.9
214.99075	1.9
220.17009	8.6
227.12787	8.7
229.14313	2.7
231.21153	3.1
235.16701	2.0
238.17931	9.0
241.19524	10.2
249.22054	2.2
257.19052	4.5
258.19595	2.4
259.20587	10.3
267.15884	2.1
269.17426	7.3
270.37558	2.1
273.18417	2.0
275.20139	17.0
276.20465	9.8
277.21640	55.5
277.24683	2.8
291.19666	2.3
295.22653	6.6
302.24750	3.6
315.23129	2.5
318.14630	3.1
320.25858	15.0
333.24170	5.2
336.15366	2.2
338.26511	2.1
349.23785	11.1
350.24026	6.9
351.25348	30.2
374.16824	2.8
392.18298	6.4
400.22299	2.7
431.22098	3.4
463.30551	6.8
464.30173	2.6
474.26547	4.0
492.27448	2.1
505.35474	3.5
521.34772	5.2
527.36993	5.4
529.39032	6.7
544.37054	7.0
545.38373	58.9
546.37817	5.9
563.39142	2.5
586.31268	5.3
609.44873	10.5
623.43402	3.7
624.43518	10.5
627.46210	85.4
628.46216	2.8
640.40039	2.3
641.44537	2.4
642.44385	10.3
645.46936	17.7
650.37915	2.9
654.37000	3.4
668.39282	26.1
750.46844	13.7
768.47174	6.2
786.48621	2.8
804.49268	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	803.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	14.0
57.07075	2.5
59.05000	4.1
61.02913	6.3
65.03931	7.4
67.05506	97.7
69.03427	22.4
69.07066	44.4
71.01354	2.8
71.04983	10.1
71.08642	3.3
71.56656	3.9
73.02920	3.4
79.05493	88.6
81.03415	36.0
81.07057	100.0
83.04977	18.4
83.08625	24.5
85.02908	16.8
85.06557	7.4
91.03952	2.8
91.05479	71.7
93.07043	75.3
95.01319	2.3
95.04974	17.0
95.08605	58.3
97.02882	18.2
97.06541	31.1
97.10181	20.7
99.04461	8.1
99.08091	6.3
103.05495	3.6
105.04492	2.6
105.06306	3.9
105.07028	78.1
107.04962	24.5
107.08595	59.1
109.02882	8.4
109.06512	14.9
109.10152	34.2
111.04413	3.0
111.08102	6.6
113.06017	2.3
115.05485	5.6
117.07011	33.3
119.04965	2.4
119.08579	53.3
121.06496	10.7
121.10144	28.8
122.23602	2.1
123.04439	2.2
123.08096	11.6
123.11700	11.0
125.09643	16.3
127.03951	11.4
128.06238	5.2
128.91971	1.8
129.05511	3.0
129.06985	14.1
130.07719	3.1
131.08568	42.4
132.09320	1.7
133.06519	4.6
133.10132	44.1
135.08081	11.6
135.11696	16.8
135.39578	1.9
137.06007	2.9
137.09634	8.2
139.07663	1.9
141.06981	8.1
142.07803	3.3
143.08577	14.4
145.04892	1.9
145.06487	5.0
145.10120	35.3
146.68230	1.8
147.08046	5.4
147.11694	32.3
149.09627	28.0
149.13229	10.6
151.11211	9.1
153.07043	2.5
155.08569	8.6
157.10117	16.4
159.08067	4.2
159.11696	25.0
161.09636	3.8
161.13280	11.9
163.11194	12.6
165.09111	3.2
165.12820	4.1
167.08537	3.7
169.10077	10.5
171.08075	2.4
171.10312	3.9
171.11716	14.0
173.04437	13.1
173.09575	4.5
173.11858	3.4
173.13185	11.9
175.11188	6.7
175.14839	2.7
177.12816	6.9
179.08545	2.8
179.10689	2.0
179.14363	5.2
181.10152	5.7
183.11673	10.5
184.07405	6.0
185.13260	8.0
187.11121	4.7
187.14822	6.1
189.11253	7.5
189.12790	4.0
191.14314	2.5
195.11795	3.3
195.13882	4.0
197.13246	9.4
199.14891	3.7
201.12781	4.2
207.11690	4.0
209.13235	5.7
211.14850	5.0
213.16449	3.1
217.15794	2.7
227.12753	18.0
227.17883	2.0
229.14409	5.7
229.19527	5.0
233.15257	2.7
237.16333	2.2
239.18001	8.7
245.13864	3.1
257.18991	19.9
259.20682	2.1
263.20306	2.3
267.15961	2.7
269.17465	7.3
273.18494	5.3
275.20056	94.4
277.21613	6.7
291.19635	6.0
293.21051	10.8
299.20154	3.8
320.25949	3.2
331.22620	3.2
333.24234	2.8
346.00775	2.0
349.23715	62.1
351.25299	3.7
367.24881	5.0
381.28177	2.2
386.34360	2.3
413.21655	4.6
419.24609	4.0
481.20816	1.9
503.33673	2.8
510.68750	2.1
513.36438	2.9
519.33075	4.1
525.35480	2.9
527.37292	3.4
529.35284	5.1
531.37982	3.2
543.36707	31.9
545.38647	9.3
549.39215	3.2
561.37451	2.6
595.43524	3.6
605.41809	3.6
623.42938	43.9
624.43164	2.9
627.45642	5.7
641.43927	26.0
687.40594	11.0
705.42889	4.3
767.47394	4.2
785.48218	10.2
803.49127	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	803.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	18.9
57.07068	4.5
61.02931	6.3
65.03953	7.0
67.05507	79.9
68.05833	1.9
68.99709	1.2
69.03432	6.3
69.07072	21.0
69.71452	2.7
69.71864	4.9
71.04997	7.6
71.08625	2.4
73.02917	1.9
77.03906	2.0
79.05495	57.9
81.03422	10.6
81.07060	67.5
81.37727	1.2
83.04993	9.1
83.08632	9.2
85.02901	4.9
85.06544	13.4
86.09705	2.1
91.03960	4.2
91.05485	65.5
93.07049	59.8
95.01340	3.6
95.04975	60.6
95.08610	43.8
97.02890	5.3
97.06522	10.5
97.10159	4.6
99.08057	2.6
99.49648	1.5
103.05447	3.1
105.04508	3.5
105.06316	2.3
105.07030	56.5
107.04961	15.0
107.08598	35.0
109.06524	63.1
109.10165	13.3
111.08073	4.8
113.06009	38.2
115.05463	5.3
116.06255	2.0
117.07027	33.6
119.08588	44.8
121.06518	8.7
121.10152	15.6
123.04462	2.1
123.08058	8.7
123.11727	4.2
125.09637	2.5
128.06253	4.2
129.05507	1.7
129.07011	17.2
130.07791	3.1
131.08574	40.0
133.06496	5.1
133.10133	30.7
135.08063	46.1
135.11697	14.6
136.08397	1.5
137.05913	1.5
137.09592	2.5
141.06950	7.2
142.07793	2.9
143.08562	20.0
144.09258	2.0
145.06468	4.8
145.10127	33.5
147.08090	8.5
147.11671	17.5
149.09578	7.3
149.13261	10.6
151.11186	2.3
155.08568	5.6
157.10150	16.1
159.08054	4.7
159.11684	25.0
161.09659	9.6
161.13268	12.8
163.11186	5.6
167.08586	2.8
169.10115	7.9
171.08064	1.7
171.11693	13.2
173.09637	1.8
173.13269	9.1
175.11166	3.9
175.14841	7.2
177.12744	7.7
179.14316	2.1
181.10127	4.8
183.11696	6.1
184.07321	5.0
185.09726	1.6
185.13274	9.0
187.11166	5.4
187.14818	4.1
189.12764	1.9
189.16225	1.5
191.14374	1.5
193.10146	2.9
195.11693	3.7
195.13628	2.0
197.13310	2.8
199.11212	3.4
199.14795	9.0
201.12816	2.4
201.16376	3.7
203.14267	1.9
207.11725	2.9
207.13660	1.7
208.12425	1.7
209.13272	3.2
211.14874	3.1
215.17888	2.6
217.15892	13.3
221.13373	1.5
223.14812	2.7
225.12794	1.7
225.16338	2.1
227.17979	3.1
229.19580	1.4
231.21060	1.6
237.16444	3.1
239.17827	2.1
241.14290	3.6
241.19525	9.9
245.18845	1.4
255.17401	3.9
257.18997	4.9
259.20572	18.4
269.87793	1.3
273.18567	24.7
275.20065	7.3
279.15927	20.5
289.50702	1.5
291.19531	77.4
291.83853	1.4
293.20993	3.3
297.16949	1.8
309.20947	1.2
315.23233	6.8
325.25177	1.5
327.26904	4.9
331.22629	1.5
333.24249	37.7
347.22137	8.4
349.23825	2.2
365.23288	16.1
473.23102	1.4
513.36481	3.0
531.38251	6.2
543.36700	4.7
549.39618	2.4
565.38861	2.7
583.39258	1.8
595.43591	2.3
603.16656	1.7
605.42059	16.2
623.43036	100.0
624.43329	2.6
641.44098	32.4
644.45728	4.5
785.47583	3.2
803.45825	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	803.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
61.02922	2.1
65.03924	0.6
66.84439	0.4
67.05499	2.0
69.03433	3.5
69.07064	1.5
69.24411	4.2
73.02908	1.0
79.05501	2.4
80.05019	0.7
80.48670	0.5
81.03403	1.3
81.07071	1.6
82.06574	0.7
85.02917	4.6
86.09710	0.8
91.03986	0.7
91.05479	2.3
93.05849	0.6
93.07041	3.5
94.06571	4.5
95.04985	0.8
95.07346	2.0
95.08599	1.0
96.08139	3.2
97.02888	2.3
97.06525	1.6
99.04463	0.6
103.05503	0.7
105.07037	1.0
107.08611	1.0
108.08131	5.9
109.10149	1.0
110.09690	6.6
119.08591	0.8
120.08109	5.8
121.10082	0.5
122.06038	8.3
122.09672	0.8
124.07613	0.8
127.03930	0.9
129.06989	0.6
134.06026	1.0
136.07564	5.7
138.05501	0.7
138.09145	8.7
144.08084	0.6
148.07558	2.6
150.09129	1.1
152.07033	0.6
166.08646	10.1
172.07692	0.6
184.07385	1.0
186.09193	0.6
207.09087	0.6
211.08763	2.5
221.10876	1.6
223.08633	0.6
227.11942	0.5
235.08717	2.1
236.09352	0.5
237.10359	1.0
247.08762	1.9
248.09494	1.4
249.10266	11.7
250.11128	0.7
251.11769	1.0
261.10263	2.1
263.08438	0.5
263.11884	1.1
264.12836	0.5
265.09851	1.4
275.08191	1.4
277.09717	8.6
278.10461	0.6
279.11407	0.8
289.09586	1.1
291.11349	0.9
293.13684	0.6
294.09860	0.6
295.11053	0.5
309.12329	5.9
312.11182	0.5
313.12576	0.5
321.08636	0.8
321.12302	0.7
322.13586	1.0
323.14273	1.6
325.12665	1.0
326.12994	1.7
327.13742	1.4
328.10999	0.6
328.14514	0.8
336.14938	1.2
337.16016	0.7
338.12854	1.1
338.16504	2.1
339.14313	1.0
340.10876	1.7
340.14676	3.5
341.11694	1.7
341.15567	1.0
342.12424	2.5
342.16183	1.6
343.13187	1.0
344.13986	0.9
350.12891	1.5
351.14072	0.9
352.10724	0.8
352.14539	1.9
353.11938	1.7
354.12430	6.3
354.16302	1.2
355.13058	2.8
356.14050	4.4
356.17798	1.1
357.14883	1.0
364.14334	4.1
365.15326	0.9
366.12384	1.4
366.16299	3.4
367.13449	3.5
368.10187	1.1
368.14044	10.8
369.15005	4.7
370.15756	3.5
371.16428	0.8
380.14139	2.2
382.11255	4.8
382.16107	5.5
383.12247	1.1
383.16367	2.0
384.13226	0.6
384.17224	7.8
385.13919	1.0
386.15045	1.0
392.14090	3.0
393.14743	0.8
394.15585	1.7
395.12759	1.4
396.13409	5.7
397.14050	2.8
398.14279	0.4
398.18753	9.4
400.16949	1.3
401.17496	0.9
402.14594	0.9
403.15515	0.8
408.13574	1.2
410.15094	5.6
412.16583	8.2
413.13806	1.1
414.14575	2.0
415.15390	1.4
416.15906	1.0
420.13461	1.5
426.14581	3.9
428.16092	5.9
429.16861	1.4
429.23358	0.5
438.14532	26.6
439.14819	1.0
442.17471	2.8
444.19925	5.1
452.16150	0.9
456.15561	34.4
457.16110	1.0
458.17136	6.7
470.16943	3.0
476.18173	28.4
477.18597	0.8
488.18121	17.1
488.24979	1.0
489.18805	0.9
500.93445	0.5
563.23120	1.0
577.24475	0.7
591.22699	5.0
595.25781	2.7
609.23462	20.7
610.24658	0.8
613.26642	0.8
623.25006	18.6
641.26074	100.0
642.26172	4.3
771.28235	1.2
803.30756	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	799.323
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	0.2
70.13548	0.4
70.13936	0.3
77.00898	0.2
81.03389	0.2
82.99898	0.2
85.02906	1.0
85.06532	0.2
97.02869	0.3
101.00883	0.5
105.07023	0.4
108.53771	0.2
114.73353	0.2
119.01917	1.2
127.14931	0.2
131.01926	0.2
131.08527	0.5
140.70064	0.2
141.03955	0.3
143.01912	2.9
145.04929	0.3
145.10101	0.3
149.09540	0.5
155.01894	0.3
161.02954	2.7
169.03445	0.2
171.05048	0.3
173.02980	0.2
176.92435	0.2
181.07132	0.3
183.05093	0.3
187.04503	0.3
187.06020	0.2
189.07640	1.3
195.05040	0.2
195.08694	0.8
197.06586	0.2
199.08195	0.9
203.03801	0.2
205.07076	1.0
205.10785	0.8
207.08661	6.5
208.05945	0.3
209.06581	0.2
209.11620	0.2
214.06647	0.2
219.08669	0.5
221.06700	0.3
221.10100	0.3
223.06326	0.2
223.08328	0.9
223.11752	1.3
225.09735	2.0
227.05606	0.2
227.12866	0.3
230.10274	0.2
231.08652	4.8
235.08005	0.2
237.09760	0.9
241.12868	0.3
247.11775	1.1
249.09717	18.9
250.09943	0.5
255.10820	2.4
259.07181	0.2
261.09656	0.8
263.11295	0.4
265.09561	0.2
265.12833	0.8
267.10776	36.2
268.11023	1.0
272.11246	0.7
285.09048	0.3
285.11871	3.6
290.12430	1.0
291.10760	15.7
292.10916	0.4
309.11826	15.7
310.11926	0.4
315.10721	0.2
321.11877	1.2
327.13168	0.3
332.13425	1.0
333.11893	0.4
339.12820	0.3
351.12881	3.7
367.10687	0.4
411.15085	100.0
412.15305	2.8
427.12704	0.6
431.12097	0.3
558.91486	0.2
574.66803	0.2
799.31976	0.8
833.65485	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	11.6
69.03425	0.6
71.56106	0.3
72.96020	0.3
74.97634	0.4
85.02906	1.7
97.02862	0.6
98.97563	1.2
110.97561	0.9
111.98400	0.4
115.00704	0.4
121.77943	0.3
128.98622	0.8
131.00134	0.4
139.00629	1.3
141.05473	0.5
144.53163	0.3
145.04915	0.3
146.99648	0.4
151.00671	10.3
151.04332	0.7
153.02231	0.7
157.01738	1.4
158.99623	0.3
161.01282	0.3
165.02147	0.6
167.00119	0.4
169.01736	12.6
169.05377	0.6
171.03293	1.2
173.01164	0.3
177.00694	0.3
179.03838	0.7
181.01605	0.4
181.05305	3.1
183.03296	0.8
187.02760	2.6
189.04372	0.8
192.03333	0.4
193.01730	0.4
193.05385	0.8
197.04851	1.5
199.06429	21.4
207.03259	5.3
207.05229	0.5
209.11655	0.4
211.02750	0.8
211.06432	7.4
217.07489	19.7
219.01756	0.7
219.08122	0.3
222.08060	0.8
225.04343	37.8
226.04742	0.4
229.07466	5.7
235.08618	0.7
237.02652	0.5
240.09042	0.4
243.05409	74.5
244.05731	0.7
248.05980	1.3
249.19316	0.3
255.05389	21.7
257.08835	0.7
261.06470	29.1
266.07043	2.1
273.06454	100.0
274.06787	1.3
283.08612	0.3
284.08093	0.8
285.06470	1.1
291.07513	5.6
296.08090	6.3
331.10593	0.4
357.08493	0.4
373.11774	0.7
387.09558	1.3
395.22250	0.4
399.09607	1.1
401.13037	0.4
409.11249	0.3
417.10684	82.3
418.11029	1.0
435.11710	3.6
458.13342	1.7
471.15390	25.8
472.15829	0.8
579.15399	1.4
633.20636	16.8
795.26434	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45872	0.4
56.96576	0.6
57.03433	1.5
61.02929	4.3
67.05502	4.5
69.03435	2.8
69.07079	1.7
71.05002	1.1
71.56326	0.4
71.56713	0.4
73.02920	3.1
79.05499	5.3
81.03410	3.3
81.07060	4.5
83.04948	0.5
83.08620	1.2
85.02896	4.1
86.09707	1.2
86.44607	0.4
89.85583	0.4
91.03957	3.2
91.05486	4.6
93.07053	4.8
95.04994	1.1
95.08614	2.5
97.02895	3.9
97.06546	1.2
99.04475	0.6
101.02381	2.0
105.07028	4.1
107.04988	0.4
107.08593	3.1
109.02913	0.5
109.10159	1.2
110.09693	0.5
115.03929	0.5
117.07071	0.7
119.08563	2.7
121.10136	2.3
123.25719	0.4
125.00022	0.8
127.03951	1.1
129.05435	0.4
129.07048	0.9
131.08592	1.1
133.06534	0.5
133.10144	2.2
135.11600	0.8
137.06012	0.7
145.05069	0.5
145.10156	0.8
147.11661	2.3
149.09645	1.3
149.13301	0.6
156.03725	0.4
157.10202	1.1
159.11743	0.6
161.06042	0.5
161.13277	0.8
170.77225	0.4
171.11743	0.5
175.11278	0.5
184.07329	3.1
185.07747	0.4
191.02377	0.4
193.12282	1.2
201.03729	0.5
203.05281	0.5
210.13776	0.4
211.13434	0.6
229.98036	0.4
243.08420	4.1
259.64270	0.4
267.16074	0.5
283.15137	6.3
301.09024	1.6
310.17209	0.4
339.17911	0.9
355.13770	0.5
373.11124	0.5
381.19031	0.7
397.18372	0.6
447.71622	0.6
456.71780	0.4
465.21149	0.9
501.23056	9.6
517.28406	0.5
535.28888	8.3
573.25494	1.6
615.28906	0.7
615.37646	1.1
619.08478	0.6
657.34338	0.5
784.83502	0.4
795.45013	100.0
796.45129	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	794.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05005	1.6
57.03436	14.2
61.02930	58.0
65.03929	2.8
67.05505	22.4
69.03429	20.1
69.07057	3.6
70.81264	1.9
70.81598	3.3
70.97366	1.5
71.01346	1.8
71.04987	8.7
73.02921	19.9
79.05496	23.2
81.03416	33.3
81.07057	24.6
83.04988	7.5
83.08623	11.8
85.02905	69.0
87.04455	2.6
91.03405	2.5
91.03954	33.7
91.04895	1.9
91.05484	38.2
93.07046	22.1
95.04962	12.1
95.08607	10.7
97.02892	47.5
97.06522	6.0
97.10141	3.3
99.04455	4.9
101.02361	3.9
105.04456	1.9
105.07025	20.8
107.04980	7.6
107.08587	19.2
109.02887	4.7
109.06494	4.7
109.10145	6.8
111.08059	7.0
115.05416	3.6
117.06998	4.9
119.04956	8.5
119.08584	14.6
121.06503	5.2
121.09317	2.4
121.10134	20.1
121.97832	1.5
123.04432	12.1
123.08036	3.5
123.11678	2.4
124.04610	1.6
125.09641	1.9
127.03925	17.4
128.06252	2.0
129.06998	7.0
131.04886	3.7
131.08569	18.2
133.06514	13.8
133.10136	10.6
135.04427	15.3
135.08092	2.4
135.11711	2.4
137.05974	76.5
137.09644	1.9
139.11201	2.4
141.07079	2.1
143.08586	1.6
145.04962	6.7
145.06468	12.9
145.08699	1.4
145.10091	2.3
147.04414	20.2
147.08029	7.7
147.11688	13.1
148.07574	1.7
149.05975	10.3
149.09634	21.7
149.13205	1.8
151.07555	2.9
151.11255	1.7
157.06506	8.8
157.08997	1.7
157.10098	11.6
158.07256	1.8
159.08060	6.5
160.07668	1.9
161.05975	44.3
161.09634	2.7
163.06229	2.4
163.07542	9.4
164.07094	2.0
165.05473	5.0
165.12738	3.2
171.08078	5.6
173.05984	22.5
173.09599	2.2
174.07726	1.8
175.07558	23.8
175.11198	9.9
176.06998	1.8
177.09074	2.7
181.06441	3.4
183.08058	6.2
185.05952	2.1
185.09598	3.5
187.07547	32.9
188.08237	2.2
189.05437	2.2
189.09128	9.7
191.07018	4.9
193.08640	3.4
193.12230	22.1
197.09631	3.9
199.07565	13.3
201.09125	9.3
203.07083	3.4
203.10698	2.0
205.08615	2.4
209.09610	2.0
211.13248	13.8
213.09102	7.3
215.10648	3.3
217.08534	3.4
218.75095	1.8
225.09227	2.8
227.10722	1.9
241.12166	1.7
241.14430	2.0
243.10365	2.1
253.15884	1.8
257.15427	8.1
267.13467	3.1
267.14191	2.3
267.16068	13.2
269.17389	2.3
283.16763	2.8
285.14807	37.4
286.15625	2.0
293.79285	1.7
301.17914	4.2
302.17496	10.8
303.15875	21.7
311.16415	15.1
323.16586	2.7
326.17688	2.3
328.19171	3.5
329.17450	24.5
332.18484	2.0
341.17465	6.2
346.20181	4.0
347.18442	4.9
358.20023	2.7
359.18488	5.6
370.19876	2.5
376.21292	6.9
377.19571	6.2
385.19919	3.3
394.22083	4.3
402.22922	3.2
403.21164	47.4
420.23880	26.0
421.22348	2.3
434.25256	3.4
438.19196	3.3
438.24893	46.3
448.23160	2.9
452.26517	15.8
470.27472	7.5
472.23096	1.9
516.25916	4.6
546.27325	8.4
564.27875	14.2
578.29608	3.6
582.29071	100.0
583.29279	3.2
596.30310	2.3
600.30078	60.5
601.28925	1.9
614.31635	28.3
632.32715	18.7
708.32202	6.0
726.33044	8.7
744.34332	93.1
745.33813	4.7
762.35406	68.8
763.35236	3.7
776.08154	1.8
776.36938	31.8
777.37213	2.5
794.24481	3.5
794.37964	47.0
795.36731	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.6
56.94702	0.1
58.06624	0.4
59.07135	0.1
59.07408	0.2
60.08164	5.9
67.05502	0.1
70.06563	0.1
70.95174	0.2
71.07375	3.4
81.07069	0.1
86.09706	27.9
87.10043	0.1
95.70267	0.1
98.98463	2.7
104.10741	3.5
125.00005	18.5
166.02695	0.1
184.07339	100.0
185.07660	0.4
404.40741	0.1
478.33109	0.1
496.33707	0.2
743.96875	0.1
772.54810	4.9
773.54132	0.2
778.22223	0.1
790.41827	0.1
790.55853	2.7
791.55310	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	790.559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04818	0.1
56.05037	0.9
57.07074	0.2
58.06615	0.5
60.08165	6.8
65.87952	0.1
67.05487	0.1
69.82728	0.2
69.83148	0.4
70.06589	0.2
71.07376	3.9
86.09708	33.5
87.10044	0.2
88.80344	0.1
98.98470	3.6
104.10748	3.3
125.00006	22.8
142.53914	0.1
166.02756	0.2
174.13042	0.1
184.07343	100.0
185.07707	0.6
186.07750	0.1
445.94476	0.1
496.33936	0.2
534.32251	0.1
597.37537	0.1
622.76483	0.1
690.47174	1.7
728.03296	0.1
772.54913	1.4
790.55865	4.2
791.55963	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	790.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.2
56.05035	0.9
58.06623	0.5
59.07401	0.1
60.08165	6.1
67.05495	0.3
69.07057	0.1
70.06573	0.3
71.07378	3.3
71.29939	0.2
79.05498	0.2
81.07040	0.4
86.09706	31.0
87.10014	0.6
90.19444	0.1
93.07034	0.1
95.08585	0.3
98.98469	3.5
104.10745	3.0
105.07062	0.1
107.08566	0.1
125.00006	21.0
127.00419	0.1
143.01050	0.2
161.85663	0.1
166.02705	0.3
182.95662	0.1
184.07341	100.0
185.07707	1.9
186.07845	0.6
337.27448	0.4
384.45575	0.1
465.35788	0.1
468.24536	0.1
496.34116	0.3
638.98090	0.1
690.46991	0.4
772.54938	3.6
773.55060	0.1
790.55914	3.4
791.56335	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	790.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.1
55.05264	1.6
55.05511	20.8
57.03440	11.5
57.07071	1.8
58.48523	1.0
59.04987	1.2
60.08146	2.7
61.02914	3.5
63.26468	1.2
65.03934	2.2
67.05505	41.5
69.03426	6.2
69.07062	13.9
69.54981	5.7
69.55389	3.1
71.05006	5.8
73.02892	2.1
78.44661	1.3
79.05492	37.7
81.03417	38.6
81.06590	2.1
81.07056	35.2
83.04982	6.6
83.08219	1.3
83.08621	16.0
85.02879	4.8
85.06527	4.3
86.09713	11.9
91.03927	2.7
91.04905	1.5
91.05484	40.8
93.07045	45.2
95.04954	14.5
95.08607	27.6
97.02872	5.0
97.06525	4.4
97.10169	9.9
99.08096	2.9
100.87360	1.2
104.10780	1.6
105.04520	1.6
105.07030	42.1
107.04943	6.3
107.08598	25.6
107.11971	1.1
109.06496	5.8
109.10167	15.1
111.08086	2.9
115.05444	2.9
117.07021	15.8
119.08585	35.6
121.06482	4.2
121.10132	20.9
123.04459	1.5
123.08054	4.3
123.11679	2.4
124.99986	7.8
125.09608	8.3
128.06213	2.8
129.07014	14.0
131.08568	24.5
133.06535	2.2
133.10126	22.9
135.08020	4.5
135.11687	10.1
137.09593	2.3
141.06996	3.9
141.85077	1.1
142.07767	2.8
143.08578	10.7
145.06422	1.4
145.10121	17.7
145.14325	1.2
147.08028	3.4
147.11679	19.1
149.09599	5.3
149.13229	4.6
151.11215	1.9
153.07025	1.8
155.08565	7.1
157.10117	11.3
159.11711	15.5
161.09619	1.5
161.13275	7.5
163.11172	4.1
165.12758	1.4
167.08575	1.9
169.10167	6.4
171.08026	1.4
171.11682	9.1
173.09529	2.3
173.13242	7.5
175.11172	4.9
175.14819	3.0
177.12732	1.8
181.10098	2.1
183.11668	5.9
184.07336	39.1
185.09645	2.2
185.13269	8.2
187.11125	2.1
187.13295	1.3
187.14844	3.9
189.11211	4.5
189.12810	2.3
193.12241	4.9
195.11705	4.5
197.13205	2.7
199.14810	4.7
201.12701	1.7
203.14252	1.2
207.11745	2.4
209.13354	1.7
211.14841	2.8
213.16417	1.5
217.15843	2.0
223.14990	1.7
225.12772	1.2
225.16373	1.5
227.12769	6.9
229.14262	2.2
233.15323	1.8
235.14986	1.2
235.16920	1.5
241.19522	3.7
259.20587	13.3
267.15878	17.2
273.18472	1.3
275.20139	1.6
285.21930	1.5
287.19937	2.0
297.22006	1.5
299.23624	6.1
309.21942	1.3
333.24280	9.0
339.23099	1.9
349.23624	1.5
371.25964	1.4
403.24780	1.6
407.24158	2.2
415.29950	2.2
421.25714	8.7
433.30994	8.4
435.27261	4.6
449.29224	1.5
451.32089	10.2
469.32980	5.4
499.34122	1.3
507.34528	3.9
517.34937	3.5
525.35760	50.3
526.35944	1.5
539.36481	1.6
543.36804	100.0
544.37372	3.3
555.36554	1.4
557.38177	10.3
575.39459	17.1
633.38495	1.6
687.40912	1.7
698.70972	1.3
705.41260	1.3
790.39233	5.3
791.41754	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	788.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.1
56.05033	0.8
57.07072	0.1
58.06614	0.4
59.07129	0.1
59.07379	0.1
60.08163	6.7
67.05495	0.1
71.07372	3.5
79.05474	0.1
80.97429	0.1
81.07031	0.2
85.75684	0.1
86.09704	31.1
87.10039	0.2
93.07063	0.1
95.08571	0.1
98.98460	3.5
104.02559	0.1
104.10744	3.3
107.08558	0.1
125.00002	22.0
134.51761	0.1
136.06194	0.5
143.01042	0.2
166.02661	0.2
177.14340	0.1
184.07335	100.0
185.07700	0.6
496.34042	0.2
521.44580	0.1
690.47205	1.1
698.11127	0.1
752.51630	0.1
770.53204	1.4
771.53333	0.1
788.54260	4.2
789.54224	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	788.5437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.1
56.00048	0.1
56.05034	0.8
58.06624	0.4
59.07384	0.1
60.08165	6.6
63.93163	0.1
67.05495	0.2
69.07079	0.1
70.06580	0.1
70.99397	0.2
71.07375	3.4
79.05500	0.1
81.07095	0.1
82.40919	0.1
85.10207	0.1
86.09707	30.6
87.10001	0.1
87.16618	0.1
91.05448	0.1
93.07055	0.1
95.78323	0.1
98.98465	3.3
104.10746	3.7
110.96227	0.1
125.00007	20.9
143.01076	0.2
166.02707	0.1
184.07343	100.0
185.07635	0.5
198.43668	0.1
496.33838	0.2
523.44159	0.1
641.86975	0.1
737.96222	0.1
770.53369	4.1
771.53857	0.1
788.54462	3.3
789.55481	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.543
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.8
57.07078	0.1
58.06618	0.6
59.07109	0.1
59.07382	0.1
60.08160	7.0
60.36266	0.1
67.05487	0.1
69.07056	0.1
70.06586	0.1
71.07369	3.7
71.55384	0.1
79.05499	0.2
81.07037	0.2
86.09702	32.3
93.07041	0.1
95.08613	0.1
98.98460	3.4
104.10737	3.2
107.08588	0.1
116.99501	0.1
124.99997	21.1
131.08577	0.1
143.01051	0.2
166.02644	0.2
176.90834	0.1
184.07330	100.0
185.07710	0.5
211.67552	0.1
361.02063	0.1
496.34140	0.2
527.67706	0.1
676.45203	0.1
690.46954	1.3
752.52057	0.2
770.53314	1.2
788.54248	3.8
789.54749	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	13.7
55.05516	30.5
57.03432	15.3
57.07080	3.4
59.05021	2.1
61.02934	12.2
65.03935	5.0
66.15368	1.6
67.05509	73.0
68.05800	2.2
68.49872	1.6
69.03435	18.9
69.07069	32.9
70.86931	1.7
71.01356	2.3
71.05009	9.2
71.08594	2.3
73.02919	6.6
76.94467	1.5
79.05495	58.7
80.05827	1.7
80.52766	1.5
81.02983	2.6
81.03425	34.3
81.07062	76.4
83.04999	8.6
83.08620	18.2
85.02910	14.6
85.06538	5.4
86.09698	3.1
91.03960	6.4
91.04913	1.4
91.05488	57.4
93.07049	62.8
95.04978	11.2
95.08608	48.5
95.09052	1.5
97.02902	14.3
97.06514	14.5
97.10193	11.4
99.04449	5.2
99.08108	4.6
105.04619	1.6
105.07033	58.0
106.04105	1.9
107.04970	12.2
107.08601	42.0
109.02889	5.5
109.06535	6.7
109.10159	29.2
111.04465	2.1
111.08089	4.0
112.95182	1.7
113.09668	2.0
115.03933	2.3
115.05491	3.9
117.07018	25.7
119.04944	1.6
119.08584	41.5
121.06507	5.1
121.10160	20.0
123.04476	1.9
123.08071	5.4
123.11703	10.3
123.12481	1.5
124.99995	3.0
125.09647	10.9
127.03916	6.9
128.06212	6.7
129.05548	3.4
129.07013	21.7
130.07762	1.9
131.08575	38.1
133.06474	5.1
133.10136	35.9
135.08070	7.0
135.11684	13.3
137.05960	2.1
137.09605	6.4
137.13271	2.1
139.11142	1.8
141.07014	12.4
142.07797	6.1
143.08572	28.3
145.06514	2.8
145.10127	35.0
147.08035	3.7
147.11699	21.7
149.09595	9.9
149.13229	6.7
151.11205	2.8
153.06996	1.7
155.08566	12.4
156.09317	3.2
157.10146	20.8
159.08041	3.6
159.11690	24.0
161.09654	4.2
161.13251	11.3
163.11182	4.7
163.14848	2.3
165.06992	3.9
165.12726	3.9
166.07829	1.7
167.08585	7.7
168.09332	2.2
169.10130	18.2
171.08073	3.2
171.10240	3.1
171.11671	22.7
173.04463	10.2
173.09668	3.9
173.11932	3.6
173.13269	15.4
175.11211	3.5
175.14830	6.8
179.08551	3.4
181.10114	11.7
183.08095	2.2
183.11699	17.6
184.07260	9.7
185.13228	13.9
187.11296	1.9
187.13342	2.0
187.14865	5.7
189.11241	4.1
189.12769	2.6
193.10138	3.3
195.11667	9.5
195.13524	1.7
197.13280	14.6
199.11031	2.9
199.14836	7.4
201.12721	2.3
201.16432	4.8
205.10181	3.2
205.15968	1.8
207.11668	5.6
209.13348	8.6
211.11240	2.3
211.14835	9.9
213.12869	3.3
213.16417	7.1
215.17970	3.2
216.36832	1.7
219.11749	2.3
219.17374	2.0
221.13242	4.5
223.14885	7.0
225.16425	3.9
227.12883	4.1
227.18021	2.2
229.14279	3.2
229.19444	3.4
231.21103	2.0
233.13127	2.6
235.14836	3.3
237.12672	2.0
237.16437	6.1
239.18010	6.2
241.19466	7.0
243.15965	2.4
244.81853	1.7
249.16434	1.8
251.17999	3.8
255.17488	2.7
257.19077	7.7
259.20557	10.8
261.22214	1.9
267.16003	2.2
269.17584	2.2
269.22690	1.7
271.20663	2.2
273.18582	3.9
275.17679	2.2
275.20120	21.6
277.21674	3.2
283.20474	1.7
291.19806	2.4
297.21973	2.5
301.21817	4.6
315.23230	2.7
321.22171	2.3
333.24286	10.1
335.26221	2.3
341.24731	1.8
349.24152	10.7
351.25507	2.0
365.28418	2.9
367.22150	2.1
381.31818	3.1
403.29791	2.2
421.25961	2.4
421.31219	4.1
435.32901	2.7
439.32129	2.3
459.26920	2.2
477.28613	2.1
495.34827	2.8
499.34213	1.7
501.35550	2.4
513.35883	20.9
515.38043	5.6
525.35052	1.8
527.37463	8.7
533.39716	5.9
537.35492	2.0
551.40753	2.7
555.37170	2.0
589.41687	3.0
607.43524	50.5
608.43994	2.0
610.45435	3.1
625.44647	100.0
626.44989	5.1
628.46594	3.0
671.41370	4.1
689.42297	7.5
715.45154	3.9
733.46179	5.0
751.47394	4.3
769.49036	9.1
787.49774	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	787.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01622	1.7
55.01866	13.3
55.05513	33.4
57.03440	8.4
57.07064	4.8
59.04993	2.2
60.26809	0.9
61.02928	14.7
64.37949	1.3
65.03935	3.8
67.05505	63.6
67.98965	1.0
69.03421	9.1
69.06724	1.8
69.07072	26.7
71.04984	3.5
71.08629	2.2
71.50330	1.1
73.02922	7.8
77.03952	1.9
79.05494	47.7
81.03418	9.3
81.07057	54.8
83.04997	6.7
83.08619	16.5
83.77042	1.3
85.02913	12.2
85.06529	3.6
86.09684	4.5
88.62205	1.2
90.09177	1.2
91.03947	5.4
91.04902	1.4
91.05481	46.2
93.07044	47.1
95.04977	6.6
95.08607	38.4
97.02892	11.7
97.06524	18.6
97.10179	12.3
99.04449	2.8
99.08093	2.8
101.02386	1.6
103.05439	2.3
105.07034	41.3
107.04965	6.2
107.08598	33.0
109.02929	2.0
109.06535	4.5
109.10158	23.8
111.08077	2.8
113.09678	1.3
115.05412	2.8
117.07015	22.7
119.08582	33.6
121.06511	2.8
121.10152	16.9
123.08083	3.4
123.11730	6.5
125.09642	12.6
127.03909	4.7
128.06223	4.7
129.07001	17.6
130.07823	1.4
131.08569	28.3
133.06491	3.8
133.10136	28.8
135.08096	3.5
135.11690	10.4
137.09633	3.2
138.52797	1.2
139.11189	1.3
141.07019	8.0
142.07788	3.7
143.08566	19.1
145.06480	1.9
145.10127	30.0
147.08070	2.9
147.11684	17.9
149.02318	1.2
149.09665	7.5
149.13264	4.3
151.11208	1.9
153.07063	2.0
153.12701	1.5
153.14664	1.2
154.07820	2.3
155.08549	13.9
156.09265	3.3
157.10135	20.9
159.08110	1.3
159.11697	20.0
161.09604	2.0
161.13254	8.8
163.11166	4.4
163.14780	2.4
165.07021	2.2
165.12769	1.3
166.07787	1.8
167.08607	5.5
168.09306	2.2
169.10120	14.4
171.10233	2.0
171.11691	18.4
173.04474	1.6
173.09677	2.0
173.11882	2.0
173.13243	10.0
175.11201	1.8
175.14833	4.7
177.12759	2.5
178.40816	1.3
179.08617	3.4
181.10149	9.3
183.08101	1.3
183.11682	18.2
184.07344	8.4
185.13263	14.3
187.11215	3.2
187.13293	2.3
187.14848	6.3
187.66956	1.4
189.11201	4.0
189.12743	1.6
193.05014	1.8
193.10135	4.7
195.11685	9.3
197.09653	1.4
197.13257	13.0
199.11246	1.7
199.14839	7.5
201.16481	2.9
203.14233	1.7
207.11780	3.2
209.13300	7.0
210.14082	1.3
211.14835	9.0
212.15501	1.2
213.12807	2.6
213.16417	4.6
215.18027	1.8
219.11745	2.2
221.13258	4.0
223.14828	5.0
225.16472	6.2
225.65714	1.3
227.12700	7.3
227.18036	2.1
229.14241	2.7
231.17459	1.8
233.13297	3.1
235.14890	3.4
237.16348	4.9
239.18021	4.8
241.19562	5.0
243.15958	1.4
249.16367	1.9
251.18127	2.3
253.19536	2.1
255.21208	1.5
257.19128	5.5
259.18082	1.2
259.20609	8.9
265.19415	1.5
273.18518	2.3
275.20096	10.7
277.21701	2.7
295.20471	1.7
309.22095	1.4
311.23526	1.8
315.23309	2.1
321.22253	1.3
325.21588	2.1
333.24326	10.9
337.25122	1.6
339.23285	1.8
349.23886	8.3
349.93958	1.2
365.28387	4.5
379.30231	2.5
381.31927	1.7
421.30789	4.7
439.31970	3.3
453.33322	1.2
459.32526	1.9
495.34500	2.1
501.35828	1.6
513.35736	27.0
515.38428	4.4
525.35120	1.8
527.37000	2.7
529.38831	2.0
533.40015	6.0
551.40662	3.5
555.36115	1.7
589.42584	3.2
597.45190	1.6
607.43597	51.7
608.43115	1.5
609.44208	1.3
611.46893	5.5
625.44659	100.0
626.44696	3.8
628.46625	1.6
649.44971	1.5
652.39142	1.6
667.45129	1.3
733.46594	1.7
751.47443	2.6
769.48816	5.6
787.49915	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	786.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.8
58.06618	0.4
59.04528	0.1
59.07390	0.1
60.08165	6.8
67.05507	0.2
69.07050	0.2
70.06597	0.1
71.07373	3.8
71.57002	0.1
71.57338	0.1
77.89060	0.1
81.07042	0.2
86.09706	34.6
89.43987	0.1
93.07043	0.2
95.08636	0.1
98.98472	3.5
104.10742	3.2
105.76035	0.1
125.00007	22.2
154.33565	0.1
166.02682	0.3
172.36218	0.1
184.07341	100.0
185.07721	0.3
197.10320	0.1
375.55707	0.1
693.15887	0.2
768.51617	0.4
786.52802	8.7
787.53418	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	1.0
57.46426	0.3
60.08164	6.7
66.10536	0.2
71.07377	3.7
84.15510	0.3
86.09708	31.9
87.59835	0.3
98.21553	0.4
98.98457	3.5
104.10760	3.0
125.00005	22.4
184.07341	100.0
249.55409	0.3
271.82217	0.3
324.85092	0.3
369.63571	0.3
453.81760	0.3
786.38300	0.6
786.52716	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	787.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	15.5
55.05267	2.1
55.05515	28.9
55.64577	1.2
55.83816	1.4
57.03439	10.9
57.07061	4.6
59.05007	1.4
61.02930	12.1
65.03933	3.3
67.05506	60.0
69.03429	14.5
69.07069	32.4
71.04984	6.6
71.08628	2.5
71.56712	1.5
73.02916	6.0
79.05495	39.2
81.03420	13.7
81.07059	59.8
82.07380	1.4
83.04974	7.2
83.08623	14.9
85.02912	15.5
85.06536	3.8
86.09696	3.6
91.03946	6.1
91.05486	43.5
91.54922	1.3
93.06475	2.7
93.07046	45.5
93.07635	2.2
95.04959	10.6
95.08612	38.4
96.08962	1.5
96.78501	1.3
97.02895	13.1
97.06539	19.8
97.10172	11.8
99.04443	3.8
99.08087	4.1
103.05480	2.5
105.07034	39.7
107.04960	8.3
107.08598	32.6
109.02885	3.9
109.06511	7.3
109.10158	23.4
111.04434	1.9
111.08075	5.0
115.05471	4.1
117.07017	24.8
119.08582	34.0
121.06509	3.2
121.10145	22.4
123.08070	4.9
123.11725	6.7
125.00015	2.0
125.09625	11.4
127.03921	5.6
128.06219	4.7
129.07016	20.0
131.08571	32.7
133.06526	2.3
133.10135	24.7
135.08038	4.0
135.11717	11.3
137.09607	2.4
141.07007	7.5
142.07753	4.6
143.08575	22.8
145.04945	2.0
145.06522	3.3
145.10126	25.0
147.08032	2.9
147.11668	15.4
149.09605	7.0
149.13257	4.4
151.11205	2.1
153.07025	1.6
154.07741	2.3
155.08563	14.0
155.62434	1.5
156.09395	1.9
157.10127	22.2
159.08076	3.1
159.11690	17.5
161.09734	2.1
161.13293	10.8
163.11237	4.4
163.14867	2.0
167.08618	5.3
168.09361	2.6
169.10124	17.1
171.08131	1.3
171.10240	2.7
171.11676	18.5
173.09622	2.5
173.11896	2.3
173.13263	9.7
175.11263	2.9
175.14827	4.6
177.12762	3.4
179.08565	3.7
179.14313	2.9
180.09267	1.9
181.10135	13.4
182.10854	1.6
183.11685	17.4
184.07332	12.9
185.07805	1.8
185.13245	13.0
187.11237	1.9
187.13345	1.9
187.14793	7.7
189.11240	4.4
189.12741	2.6
189.16452	1.6
193.10133	2.8
194.10930	2.5
195.11661	9.6
197.13260	14.1
199.14871	9.9
201.12781	3.4
201.16371	1.7
207.11739	4.9
209.13274	6.2
211.14821	8.6
213.12764	1.7
213.16423	4.1
221.13280	4.4
223.14835	6.5
225.16403	3.4
227.12796	5.4
227.17992	3.2
227.20050	3.9
228.20511	1.8
229.14330	3.4
231.17288	1.5
233.15495	1.5
235.14799	3.4
237.16394	3.7
239.14232	1.7
239.17931	4.2
241.19518	4.4
247.14720	2.2
251.18037	2.9
253.15623	1.8
253.19536	2.1
257.19034	4.7
259.20587	6.8
273.18491	2.7
275.20041	15.5
283.20456	2.7
297.22244	2.6
309.22095	2.3
311.23621	1.4
313.21564	2.5
315.23016	1.6
325.21585	2.0
331.22714	1.8
333.24249	6.5
349.23950	7.3
351.25253	1.9
365.28488	3.4
367.22269	1.9
381.31528	1.5
383.29370	1.9
389.28464	1.6
421.31305	3.0
439.32117	3.2
445.31631	1.5
457.33514	2.8
495.34628	3.5
499.34460	1.9
503.33762	1.6
513.35822	37.2
515.38300	6.3
517.35284	1.8
527.37372	5.3
528.38129	1.5
533.39996	6.0
537.35614	2.7
551.40808	5.8
553.37756	1.5
555.36841	3.5
567.41052	1.6
589.42505	2.4
607.43585	54.1
608.43567	2.8
625.44653	100.0
626.44611	4.8
628.45947	3.5
675.41278	3.3
733.46246	3.4
751.47754	4.2
769.48840	9.3
787.49823	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	786.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.6
57.07066	0.2
58.06350	0.2
58.06616	0.5
60.08165	6.9
67.05495	0.3
70.04358	0.3
70.04770	0.4
71.07379	3.7
71.08627	0.3
81.07048	0.3
86.09707	31.1
95.04953	0.1
98.97866	0.3
98.98470	3.6
104.10747	3.6
125.00009	21.6
143.01051	0.2
145.20940	0.2
166.02603	0.2
184.07343	100.0
184.38655	0.1
185.07765	0.4
225.02103	0.2
302.50543	0.2
345.94031	0.1
496.33569	0.2
704.27936	0.2
768.52081	1.0
786.52844	9.8
787.52972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	0.7
57.07053	0.2
58.06353	0.2
58.06615	0.6
59.07365	0.1
60.08166	6.6
60.57619	0.2
67.05492	0.3
69.07039	0.2
71.07374	3.7
71.08604	0.2
75.29860	0.2
86.09704	32.3
95.08635	0.2
98.20725	0.4
98.98458	3.5
104.10737	3.4
125.00002	21.4
143.01035	0.3
170.99214	0.2
184.07336	100.0
185.07695	0.5
259.88501	0.2
370.96332	0.2
496.33841	0.3
578.88654	0.2
660.84509	0.2
768.51630	0.7
786.52753	9.7
787.52875	0.5
808.49536	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	3.3
57.03421	0.3
61.02917	0.3
68.96559	0.6
69.03404	0.6
69.65810	0.3
71.55575	0.3
71.95238	0.4
81.03432	0.4
82.97517	0.3
84.96030	2.5
85.02916	0.9
88.22038	0.3
93.69028	0.3
97.02898	0.5
98.97581	35.9
101.95020	0.6
110.06359	0.3
110.09089	0.3
110.97565	17.3
112.99139	0.9
116.98623	9.6
117.02194	0.3
119.96124	0.3
121.31715	0.3
123.33109	0.3
124.37321	0.3
124.99117	0.8
128.98604	11.1
131.00128	0.7
134.99667	1.3
140.98598	3.4
143.00153	3.2
144.98116	0.7
145.01828	0.3
146.99658	3.6
152.00272	0.4
152.98613	2.3
156.98109	0.4
158.99657	17.8
161.01219	1.9
161.97177	0.4
170.99651	28.6
173.01283	0.4
177.00710	8.7
179.98131	1.0
182.99648	5.7
189.00711	18.3
201.00706	15.2
207.01884	1.4
212.02347	0.5
213.00642	1.1
219.01756	15.5
231.01749	1.4
237.02809	7.6
240.00267	0.4
243.01747	6.7
255.03951	0.4
261.02817	22.6
264.00259	5.1
272.06445	0.3
272.56845	0.5
273.02777	1.6
279.03867	9.3
282.01312	25.4
291.03888	3.1
300.02386	9.7
302.05289	0.5
321.04922	5.7
323.03998	0.4
333.04865	1.0
351.05789	1.7
362.09921	0.3
363.06018	0.3
366.54410	0.4
381.06876	1.9
399.08139	1.4
441.09161	11.3
443.12848	0.4
443.62567	0.8
444.06601	100.0
445.07089	1.5
453.09476	0.4
501.11295	1.4
543.12726	0.5
638.03558	0.3
675.67194	0.3
723.18945	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	3.8
57.28060	0.2
69.03429	0.5
71.55293	0.3
82.67426	0.2
84.96039	1.8
85.02908	0.6
91.00599	0.2
93.04076	0.2
97.02892	0.6
98.97584	32.6
101.95057	0.9
110.97569	16.2
112.99132	0.9
115.34619	0.3
116.98621	7.9
124.99123	1.0
127.00685	0.4
128.98608	11.8
131.00163	0.4
134.99655	1.1
140.00159	0.4
140.98593	3.6
143.00168	3.5
146.99660	3.2
152.98608	3.2
158.99658	14.8
161.01222	2.2
161.97118	0.5
165.00626	0.3
170.99657	28.5
174.99110	0.4
177.00713	6.4
177.69589	0.3
179.98169	1.0
182.99638	6.1
189.00719	16.9
191.03923	0.5
194.99579	0.4
195.01903	0.3
201.00708	13.5
207.01772	0.9
212.02205	0.6
213.00676	1.0
214.99551	0.3
219.01761	13.4
231.01787	1.4
237.02812	7.4
238.03589	0.3
242.03281	0.4
242.66338	0.3
243.01759	5.7
255.04012	0.6
261.02823	21.0
264.00281	5.1
272.06674	0.4
272.56726	0.5
273.02771	1.5
279.03857	8.7
282.01324	22.8
291.03775	2.6
300.02374	9.2
303.03842	0.3
309.04968	0.3
321.04913	4.8
323.04150	0.3
333.04977	0.8
351.06021	1.0
362.09589	0.6
381.07114	1.9
399.08160	1.4
441.09171	10.5
443.12067	0.6
443.62735	0.5
444.06619	100.0
445.06665	1.6
471.09778	0.4
501.11417	1.2
543.12482	0.5
615.81366	0.3
723.18573	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
55.37475	0.2
56.05030	0.5
61.02899	0.6
62.50288	0.2
67.05500	1.2
69.07061	1.0
70.06578	0.4
70.84308	0.7
71.08624	1.0
76.11431	0.3
79.05491	0.7
81.07047	1.0
83.04969	0.4
83.79379	0.3
85.02921	0.6
86.09705	100.0
88.91704	0.3
91.03947	0.6
91.05477	0.9
93.07037	1.2
95.04965	0.3
95.08611	0.8
97.06444	0.3
98.09705	1.3
98.21416	0.3
103.05465	0.9
105.07033	1.5
107.08612	0.4
112.11250	6.3
117.07013	0.4
120.08105	41.6
129.07010	0.3
131.08534	0.4
133.10176	0.3
146.09624	2.3
154.15906	19.9
157.13362	11.1
161.02971	0.3
165.10291	0.4
167.11821	0.5
185.12845	13.7
188.14342	6.7
191.11781	0.4
199.18059	16.0
209.16551	0.8
219.11308	1.6
225.19606	6.9
225.21677	0.4
227.17534	14.9
228.17908	0.4
233.16484	17.6
235.18047	0.6
237.16154	0.4
243.14992	0.5
253.19119	8.1
255.17076	0.4
259.18033	1.9
261.15976	15.3
267.24310	7.3
271.14832	0.3
277.22678	0.4
287.17523	2.5
295.23810	5.3
298.21228	6.9
298.24332	0.4
301.20035	1.0
301.22842	7.5
302.20422	0.8
303.20093	0.4
311.21350	0.3
322.24869	0.5
329.22247	5.0
332.19696	5.9
340.25900	3.1
356.23367	0.8
366.27505	2.6
368.25583	0.4
374.24402	4.0
383.30093	1.7
396.55435	0.3
400.25980	3.9
408.32306	0.6
411.29660	4.3
411.34848	0.3
417.28680	1.3
425.35266	0.4
433.41785	0.4
442.30688	2.3
445.28079	4.2
445.78336	1.1
446.28268	0.6
453.34476	0.8
459.33176	1.4
479.35913	1.6
485.35165	0.5
487.32809	2.4
496.38580	1.5
497.31271	0.5
513.34503	2.9
524.37958	3.7
524.44843	0.4
526.80981	1.1
527.30963	0.8
530.37219	1.6
555.38995	1.7
558.36499	8.5
572.41901	0.7
586.36078	0.4
592.44525	1.0
600.41016	1.7
610.39874	0.3
626.42841	6.3
637.46490	2.2
643.45380	5.0
653.43713	0.8
655.45477	0.3
668.46863	0.7
671.44904	17.8
672.45422	0.8
711.51593	0.4
739.51099	3.3
740.51813	0.4
756.53894	7.4
757.54944	0.4
766.51624	2.1
784.53308	11.5
785.53235	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.5812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.2
55.05515	20.7
55.28923	1.5
57.03431	3.0
57.07074	4.9
59.04984	1.8
61.02929	2.8
65.03950	3.4
67.05505	45.9
69.03421	2.0
69.07072	31.4
69.19245	16.5
70.47868	1.8
70.48262	1.5
71.04997	2.5
77.03960	1.9
79.05494	38.4
81.03445	2.3
81.07058	62.2
83.04990	2.6
83.08635	14.0
85.06557	4.2
91.05484	47.2
93.07047	64.4
95.04977	6.2
95.08607	75.0
97.02892	2.3
97.06528	11.0
97.10164	13.9
99.08087	24.2
103.05451	1.8
105.07037	74.2
107.04951	4.8
107.08598	92.5
109.06537	7.8
109.10160	47.8
111.08086	6.0
111.11707	2.2
115.05408	2.3
117.07008	14.7
119.08588	100.0
121.06517	4.4
121.09319	3.4
121.10154	55.7
123.08092	6.1
123.11723	16.6
125.09609	12.8
129.07021	6.2
130.07826	2.4
131.07584	3.1
131.08565	50.9
133.06520	2.3
133.10130	77.8
133.32968	1.6
135.08061	5.2
135.11691	42.5
137.09613	5.2
137.13251	6.5
141.06976	2.1
143.08577	7.6
144.09315	2.4
145.10126	55.5
147.11694	84.1
149.09642	8.8
149.13272	21.8
151.11180	4.9
153.09109	4.1
155.08511	3.3
155.10600	2.6
157.10130	15.5
159.11699	50.8
161.09599	2.8
161.13263	34.0
163.11194	5.5
163.14819	16.9
165.12825	1.9
169.10106	5.3
171.11685	11.8
172.12517	2.9
173.11765	9.9
173.13269	33.0
175.14835	20.1
177.12778	3.3
177.16418	11.6
179.14314	10.3
183.11728	7.5
184.07365	6.0
185.13287	12.0
187.13287	4.6
187.14830	35.6
189.16380	31.4
191.17941	39.1
191.19588	2.8
193.15923	1.7
195.13800	4.0
197.13293	4.7
199.14810	11.3
201.16380	81.6
203.12787	19.9
203.14424	4.7
203.17960	36.6
205.15900	5.5
205.19489	2.3
207.17429	15.6
211.14873	6.6
213.16422	9.3
215.14433	2.8
215.17934	10.7
215.32198	1.9
217.15903	4.0
217.19438	8.3
219.17422	23.9
223.17024	1.9
225.16304	2.3
227.16156	3.0
227.18004	5.4
229.15981	2.5
229.19449	12.0
231.17438	3.5
233.19037	2.7
239.17833	8.6
241.19547	6.5
243.17479	2.4
243.21025	3.6
247.16847	2.2
247.20627	6.4
249.18463	8.7
257.18970	16.1
259.20563	3.9
263.20068	5.0
269.22598	3.7
275.20071	93.9
277.21719	3.3
281.22641	1.8
289.21619	64.8
291.23154	6.4
293.20981	3.8
293.81650	2.0
299.23767	1.9
307.22696	41.9
307.26279	2.5
310.54608	2.0
314.90256	1.8
337.28638	2.7
339.26941	2.3
387.19275	1.8
391.33536	14.7
409.34650	58.4
427.35934	9.6
433.43555	2.0
435.32401	2.2
437.34268	14.5
455.35529	2.8
473.19818	3.9
600.60046	2.1
779.41162	10.9
779.57587	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	779.419
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71705	0.3
55.01870	0.8
55.05514	2.0
55.37353	0.3
56.96566	0.6
57.03441	1.4
60.08153	0.5
61.02651	0.3
61.02934	3.7
65.34345	0.3
67.05508	4.4
69.03430	2.6
69.07072	2.6
69.21063	2.2
69.21481	0.7
71.01345	0.4
71.05018	0.6
71.56998	0.3
73.02915	3.6
79.05496	4.2
81.03413	4.1
81.07063	4.7
83.04996	1.4
83.08627	1.4
85.02917	5.4
86.09705	2.2
87.04504	0.4
87.09972	0.4
91.03955	2.8
91.05489	3.8
93.07054	3.3
95.04973	2.1
95.08603	2.3
97.02899	4.4
97.06537	1.2
97.10184	0.9
99.04452	0.7
101.02409	1.5
103.05474	0.3
105.07030	3.2
107.04959	0.7
107.07979	0.3
107.08594	1.9
109.02891	0.6
109.06512	0.8
109.10151	1.5
111.04408	0.4
111.08086	0.6
117.07040	0.6
119.08598	2.6
121.10151	1.2
123.08038	0.4
123.11719	0.3
124.45334	0.3
125.00011	1.2
125.09618	0.4
127.03932	1.2
129.05554	0.3
129.07039	1.0
131.08614	1.4
133.10162	2.2
135.08136	0.4
135.11697	0.8
137.06032	0.4
143.08591	0.5
145.10159	1.1
147.11731	1.2
149.09663	0.6
157.10185	1.1
159.11746	0.6
165.12743	0.3
175.11250	0.7
175.96199	0.3
184.07346	6.6
185.04274	0.6
185.07680	1.1
190.60924	0.3
193.12343	1.2
203.05426	0.4
211.13361	0.5
243.08437	3.3
251.12642	1.3
258.89929	0.3
275.20227	0.9
278.10715	0.4
301.09045	0.6
307.15433	0.4
333.20450	2.1
340.95612	0.3
349.16663	1.0
399.36234	0.4
439.19861	0.5
469.13437	0.4
469.20459	9.6
535.28668	0.3
551.28357	4.0
592.41925	0.3
617.37878	0.4
681.34760	0.6
779.41864	100.0
780.42133	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	775.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
55.05508	1.8
57.03434	1.8
60.56107	0.3
61.02637	0.4
61.02923	4.1
62.69370	0.3
65.03935	0.4
66.72694	0.3
67.05505	4.2
69.03435	2.6
69.07065	2.7
69.61526	0.3
70.17191	0.3
71.01367	0.3
71.04981	0.7
71.56478	0.4
73.02916	3.4
79.05492	5.6
79.05958	0.3
81.03410	2.6
81.07057	5.0
83.04980	1.2
83.08642	0.7
85.02911	4.1
86.09673	0.5
86.62547	0.3
86.77408	0.3
87.04441	0.3
90.00755	0.3
91.03949	2.6
91.05483	4.7
93.07039	4.4
95.04968	1.7
95.08610	2.7
97.02895	4.2
97.06554	0.4
97.10182	0.7
99.04456	0.6
101.02392	1.9
105.07033	3.6
107.04955	0.7
107.08593	2.5
109.02855	0.5
109.06522	0.8
109.10162	1.1
115.03975	0.4
117.07021	0.6
119.08577	2.5
121.10166	1.0
123.08093	0.5
125.00039	0.6
127.03923	1.5
129.07056	1.2
131.08603	0.7
133.10103	1.5
135.11722	0.9
138.22891	0.3
143.08540	0.7
145.10167	1.1
147.08130	0.4
147.11667	2.1
149.09656	0.3
159.11717	0.4
161.09586	0.3
161.13269	1.0
163.11238	0.6
171.11656	1.6
184.07378	1.3
185.04190	0.6
203.05232	0.3
207.13832	0.6
228.68999	0.3
237.82936	0.3
243.08386	3.4
247.13116	1.2
275.20212	0.3
281.17529	0.5
285.16730	0.3
301.09073	0.5
303.15866	0.8
333.20395	2.1
389.23441	0.4
439.19626	0.8
453.21265	0.5
465.20959	10.4
551.28400	4.9
613.37274	0.4
641.35797	0.3
663.34216	0.5
775.42358	100.0
776.42712	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	774.564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.1
56.05033	0.8
57.07080	0.2
58.06628	0.5
59.07391	0.1
60.08162	6.2
67.05502	0.2
69.07064	0.1
69.34407	0.8
70.06580	0.1
71.07372	3.6
71.08623	0.1
74.55641	0.1
79.05485	0.2
81.07057	0.3
86.09703	32.2
87.10018	0.1
91.05470	0.2
93.07048	0.1
95.08607	0.2
98.98457	3.4
104.10741	2.2
107.08593	0.2
112.08749	0.1
116.16592	0.1
124.99999	21.7
143.01042	0.2
153.55234	0.1
159.88297	0.1
166.02660	0.2
184.07333	100.0
185.07707	0.5
496.33701	0.2
603.46002	0.1
756.55286	7.3
757.55310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	14.8
55.05512	49.9
57.03160	1.6
57.03441	27.9
57.07066	3.2
59.05007	2.5
61.02933	8.5
61.20766	1.4
64.69823	1.5
65.03932	5.0
67.05507	97.4
69.03426	15.7
69.07069	49.9
71.04996	11.5
71.24098	1.5
71.57081	2.6
73.02937	3.9
79.05495	88.8
81.03419	99.9
81.07057	99.2
83.04980	35.6
83.08145	2.8
83.08620	44.7
84.08936	1.8
85.02903	43.7
85.06528	5.8
86.09700	7.0
87.04483	2.1
91.03947	4.6
91.05481	100.0
93.07045	72.5
93.07636	3.4
95.04974	46.3
95.08611	52.9
97.02478	1.3
97.02900	13.5
97.06532	27.8
97.10177	20.4
99.04419	2.7
99.08091	3.6
101.47888	1.5
103.05457	2.3
105.04507	4.6
105.07032	79.1
106.07367	1.8
107.04958	24.8
107.08602	58.7
109.02890	2.3
109.06531	16.0
109.10162	19.0
111.04443	4.0
111.08098	20.5
113.06009	4.6
115.05482	2.5
117.07013	24.9
119.08588	59.2
121.06497	9.5
121.10138	30.0
123.08091	8.4
123.11705	7.3
124.04846	1.5
124.99991	3.0
125.09617	18.3
127.03915	7.0
128.06241	1.9
128.33508	1.8
129.05553	1.8
129.07004	26.0
130.07764	2.4
131.08575	40.6
133.06487	5.7
133.10136	46.2
135.08070	7.4
135.11703	16.3
137.09579	6.1
141.07013	3.2
142.07787	3.4
143.08543	6.9
145.10139	26.2
147.08047	6.9
147.11691	35.7
149.09621	31.0
149.13295	8.6
151.11191	3.0
153.12674	1.7
155.08569	5.0
157.10130	27.2
159.11700	19.3
161.09616	1.5
161.13295	7.7
163.11156	14.3
165.12752	4.9
169.10159	4.0
171.10225	1.8
171.11679	5.1
173.04424	2.0
173.09546	1.8
173.11916	1.9
173.13199	7.6
175.11198	22.3
177.12740	5.9
179.14301	4.3
181.12192	2.0
183.11749	4.8
184.07355	18.6
185.13287	2.0
187.11237	3.2
187.14888	1.8
189.11293	8.1
193.12247	57.5
195.13773	1.9
197.13235	1.8
199.14854	2.2
205.19205	1.9
211.13293	81.7
227.12764	28.7
229.14400	2.6
229.19621	3.3
239.17990	3.4
245.13968	2.8
247.20454	2.1
250.96759	1.7
255.15953	6.2
257.19052	12.9
259.20438	2.9
267.15918	38.3
269.17465	21.9
275.20062	47.4
285.16983	77.3
293.21091	4.8
301.16458	2.7
331.22729	2.0
333.24417	2.1
349.23755	40.7
367.24731	3.9
381.22720	2.2
421.26035	2.0
437.25153	2.4
439.26758	3.2
447.27243	10.0
449.30405	1.9
455.26242	6.1
461.29050	19.1
463.30267	3.5
465.28464	10.9
467.31631	2.4
479.30069	55.3
523.34106	2.4
541.35321	24.4
559.36304	55.0
560.36713	2.7
577.37811	8.1
623.34283	1.9
703.40833	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	774.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.7
55.05510	25.2
56.96564	3.4
57.03437	12.1
57.07076	1.6
57.90248	1.1
59.04984	1.8
59.91261	1.2
60.08156	1.9
61.02915	5.1
65.03942	3.7
67.05505	59.0
69.03424	6.7
69.07068	30.2
69.37952	9.2
70.50874	1.2
71.04980	5.7
71.47978	1.2
79.05495	45.6
81.03418	11.5
81.07058	100.0
83.04984	13.5
83.08616	15.9
85.02889	6.2
85.06545	6.8
86.09709	7.3
88.42055	1.1
91.03961	2.6
91.05481	49.7
93.07043	46.7
95.04976	7.2
95.08608	31.3
95.09173	2.4
97.02888	6.5
97.06530	15.1
97.10160	8.4
98.20776	2.8
98.97578	11.4
99.04427	2.3
99.08095	6.1
101.06002	1.3
104.10744	2.0
105.07032	57.2
107.04952	8.0
107.08596	38.2
109.06541	7.6
109.10146	9.8
110.97582	3.1
111.04460	2.9
111.08080	4.5
112.99149	3.6
113.09618	1.5
115.05468	1.9
116.98630	2.3
117.07015	11.4
119.08578	42.8
121.06496	3.3
121.10137	27.0
123.04388	2.0
123.08064	6.9
123.11710	24.1
124.99998	4.5
125.09628	9.1
127.03935	2.6
127.07558	4.0
128.34122	1.3
128.98653	3.3
129.07008	4.3
130.07771	1.7
131.00174	4.6
131.08568	14.7
133.06459	1.3
133.10132	24.6
135.08046	4.7
135.11681	11.3
137.09621	3.1
137.13258	2.2
140.00229	1.5
141.06967	1.4
142.07660	1.5
143.08562	4.4
145.10133	15.4
147.08026	1.5
147.11687	62.3
149.01257	3.0
149.09622	10.1
149.13274	7.9
151.11208	2.9
153.12839	1.5
155.08583	2.0
157.10132	5.7
158.99687	4.8
159.11700	12.7
161.13248	7.7
163.11226	9.4
165.12752	22.1
169.10182	2.2
170.99586	6.2
171.11673	3.0
173.01253	1.8
173.09561	2.1
173.13232	5.7
175.11212	3.8
175.14815	1.5
177.00751	3.3
177.12778	3.1
179.14268	3.3
181.12224	2.0
183.11615	2.4
183.13800	1.6
184.07320	21.4
185.01233	2.0
185.13254	2.0
187.14816	2.5
188.72932	1.3
189.00687	3.3
189.11197	4.3
193.12245	2.9
195.13745	3.0
197.13268	1.9
199.11298	1.3
209.11656	3.2
212.02266	1.2
219.01768	2.5
221.15141	1.2
227.12770	12.6
229.14294	6.9
229.19504	1.5
241.19534	4.4
245.13719	1.9
247.20639	2.6
251.16420	1.3
255.15863	4.8
257.19019	8.3
259.20593	10.7
261.02826	3.6
267.15906	62.7
268.16190	1.6
269.17435	12.9
275.20053	35.5
279.03961	3.5
283.15308	2.0
285.16956	60.7
293.05484	5.7
293.21027	3.9
301.16342	7.6
305.59219	1.3
317.17892	3.2
321.04892	12.3
331.22733	1.9
333.24231	9.3
349.23740	33.4
350.79446	1.3
367.24768	3.5
437.09616	3.0
437.25439	4.5
439.26926	2.3
449.30649	1.8
455.10580	3.8
455.26352	3.6
461.28726	1.6
465.28482	14.6
479.30051	43.1
523.33807	2.7
541.35339	12.3
559.36279	60.4
560.36346	2.4
577.37347	11.1
599.30200	1.4
623.34497	1.7
714.12714	1.3
715.31927	7.1
774.43280	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	772.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05053	0.8
58.06358	0.2
58.06627	0.6
60.08165	6.5
69.53636	1.0
70.06606	0.2
71.07377	3.6
79.16251	0.1
81.07033	0.3
86.09708	32.4
95.08640	0.2
98.98465	3.0
103.98896	0.2
104.10746	3.0
110.07158	0.8
125.00008	20.9
143.01079	0.2
143.69684	0.1
149.79718	0.1
155.29578	0.2
158.02002	0.2
166.02721	0.2
178.50711	0.1
184.07343	100.0
185.07700	0.6
257.80716	0.2
496.33951	0.2
644.73749	0.2
747.82355	0.2
754.53845	0.2
772.54822	10.3
773.54395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.8
57.07082	0.2
58.06628	0.5
59.07404	0.2
60.08164	6.5
62.85442	0.1
64.71141	0.1
67.05499	0.2
67.11050	0.1
70.06648	0.1
71.07376	3.5
71.08319	0.3
74.75509	0.1
78.13271	0.1
85.29926	0.1
86.09707	30.7
91.05474	0.2
98.98467	3.1
104.10741	2.2
105.07034	0.2
125.00008	20.0
132.57535	0.1
142.44681	0.1
143.00980	0.2
166.02707	0.2
184.07343	100.0
185.07692	0.6
219.90311	0.1
234.12079	0.1
463.47787	0.2
496.33588	0.2
694.47479	0.2
754.53778	6.4
755.53717	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.3
55.05513	18.4
56.96555	1.5
57.03442	4.9
57.07081	7.2
59.04990	1.5
60.04524	1.2
61.02932	6.1
65.03959	1.7
67.05504	38.7
69.03435	18.6
69.07069	37.9
70.06579	1.4
71.04988	5.8
71.08613	4.5
71.56844	1.7
71.84764	1.0
73.02920	3.5
79.05074	1.1
79.05499	18.7
81.03419	18.5
81.07059	100.0
83.04965	3.1
83.08156	1.5
83.08623	23.8
85.02905	41.9
85.06549	9.1
85.10191	1.4
86.09708	1.2
87.00838	13.6
87.04492	1.2
91.03936	2.8
91.05479	15.4
93.07047	38.7
93.48212	1.0
95.04972	8.8
95.08607	77.8
97.02888	18.5
97.06529	9.4
97.10172	17.8
98.97585	1.9
99.04454	5.9
99.08086	5.7
105.01862	13.1
105.07031	18.9
107.04939	2.8
107.08590	33.4
108.08896	1.1
109.02877	14.4
109.06499	3.1
109.10156	58.1
111.04469	1.3
111.08060	3.2
111.11723	10.6
115.71783	1.0
117.01846	1.3
117.07022	2.6
119.04934	2.4
119.08583	16.7
121.06505	1.7
121.10151	24.1
123.04435	1.1
123.08084	2.3
123.11705	28.6
124.81683	1.1
125.09617	4.4
125.13250	4.9
127.03918	28.0
127.11172	3.3
129.01857	1.8
129.07063	1.1
129.12764	1.4
131.08563	5.1
133.06555	1.2
133.10138	9.8
135.04460	1.9
135.11690	19.7
137.05974	8.9
137.09596	4.2
137.13245	10.3
139.11157	3.0
143.08611	1.9
145.04945	7.3
145.06528	1.8
145.10110	3.9
145.20418	1.0
147.04372	1.7
147.11687	10.4
149.05972	1.4
149.09612	2.4
149.13260	30.0
151.11165	1.6
151.14827	8.9
153.12755	2.2
155.10675	2.2
157.10080	1.6
159.02884	3.2
159.11667	2.5
161.05962	2.8
161.09625	1.5
161.13298	6.6
163.03764	1.1
163.14818	16.1
165.12726	3.7
165.16386	3.9
167.07022	1.1
167.14268	1.3
171.11679	1.1
173.04469	2.5
173.05942	2.0
173.11757	1.8
173.13242	1.4
175.07516	1.2
175.11183	1.8
175.14868	3.1
177.16367	7.4
179.14386	1.3
179.17947	2.5
181.15880	1.5
187.07556	1.8
189.09117	1.3
189.16376	2.8
191.17914	4.9
193.12267	2.5
203.18027	2.2
211.13240	1.7
213.04028	1.3
213.12515	0.9
217.19559	3.6
229.14313	2.6
231.05070	6.7
247.24207	2.3
249.06049	4.1
250.09694	1.5
257.15332	1.9
259.04550	1.6
261.25705	3.6
263.27307	1.2
265.25299	1.2
270.14355	1.1
273.25757	18.4
279.26840	14.4
281.17419	1.2
289.25247	1.5
291.26831	43.3
297.27789	7.5
302.17438	2.3
303.15887	1.2
309.27881	54.8
315.27173	1.1
321.28067	1.2
327.28955	11.6
329.13483	1.0
329.17395	2.3
346.19894	1.2
371.29333	1.5
381.27707	1.5
387.29025	1.8
399.28867	5.2
412.34045	1.7
416.50003	1.1
417.30087	4.4
435.30972	2.3
485.28433	1.9
495.33261	2.4
503.29904	5.5
509.31088	2.9
521.31152	9.5
527.32349	2.5
539.32245	5.6
557.32745	1.5
592.34692	10.8
610.34003	2.6
629.07764	1.1
639.09772	1.3
642.10034	1.1
754.40192	11.5
772.40027	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	771.504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	1.1
55.05420	7.5
55.05714	1.8
57.03342	3.7
57.06988	1.3
57.07248	0.8
61.02827	11.4
61.03181	2.2
65.01812	0.4
65.03883	1.0
65.04182	0.5
67.05403	16.2
67.05805	2.7
69.03325	6.2
69.03732	0.9
69.06965	8.5
69.07365	1.1
69.20623	2.0
69.21052	2.6
71.01269	0.7
71.04886	1.4
73.02809	5.8
73.03259	0.8
79.05379	11.8
79.05891	1.4
81.03300	2.3
81.06942	14.5
81.07455	1.8
83.04905	0.9
83.08504	4.7
85.02785	10.4
85.03353	1.1
85.06461	0.8
85.57525	0.5
87.04413	0.6
91.03835	5.7
91.05359	10.7
93.06924	12.0
93.07547	1.1
95.04852	1.5
95.08485	14.4
97.02774	8.9
97.03444	0.7
97.06407	2.6
97.10046	2.2
99.04372	1.1
101.02252	2.3
103.05350	0.7
105.06901	11.1
107.04854	0.6
107.08465	8.0
109.02786	0.9
109.06414	1.0
109.10027	6.1
111.07990	0.8
115.03807	0.8
115.05360	0.8
116.96463	0.5
117.07024	7.5
119.08585	11.2
121.10004	5.5
123.07984	0.9
123.11554	1.3
125.09499	1.0
127.03778	1.8
128.06192	2.4
129.07002	8.2
131.08571	9.3
133.10138	8.1
135.07967	0.6
135.11685	2.8
137.09532	0.5
137.13171	0.5
141.07001	3.6
142.07776	2.6
143.08562	9.3
145.04863	0.8
145.10126	10.9
147.11708	5.3
149.13129	2.1
151.11092	0.6
153.06903	1.1
154.07677	1.1
155.08559	8.0
156.09218	1.5
157.10133	10.3
159.11687	6.9
161.13197	2.8
165.06898	1.0
166.07600	0.5
167.08557	4.2
168.09207	1.0
169.10124	10.5
171.11697	8.4
173.13246	4.5
175.14671	1.6
179.08405	1.5
179.14000	0.6
180.09251	0.5
181.10120	5.8
182.10736	1.4
183.11694	10.5
184.12312	0.6
185.13271	5.6
187.14780	2.8
189.16264	1.2
193.10170	2.7
194.10802	0.6
195.11703	6.4
197.13278	8.4
199.11226	0.6
199.14824	4.6
201.16301	0.9
205.10045	0.8
206.10864	1.0
207.11736	3.2
208.12305	0.5
209.13261	5.0
211.13068	0.6
211.14804	6.5
213.16435	3.2
215.17874	0.8
219.11545	1.2
221.13289	2.5
223.14827	4.3
225.16411	3.7
227.17827	2.0
233.13246	0.7
235.14653	2.1
237.16377	3.3
239.17819	1.8
241.19531	0.8
245.13054	0.6
249.16306	1.4
251.17836	1.8
253.19362	1.6
265.19470	1.1
277.19421	1.1
279.21133	1.1
281.22556	0.5
283.20413	0.6
283.75531	0.6
285.21771	0.5
291.20950	0.6
309.21976	1.1
311.23416	0.6
313.21515	0.5
313.25058	0.6
321.21948	1.3
323.23676	0.9
335.23358	0.9
337.25174	1.1
339.22958	0.5
339.26898	0.6
349.25150	1.0
351.26752	1.4
353.24817	0.5
363.26596	0.9
365.28491	1.1
375.26764	0.5
391.30002	0.8
393.31793	0.8
407.28882	0.7
435.32324	0.9
447.32483	0.7
461.33566	0.8
473.33374	0.7
475.34848	0.7
487.34253	0.9
501.36093	1.0
511.34225	0.5
513.36267	0.9
515.37366	1.3
517.40527	5.5
521.36353	1.1
523.36584	0.7
525.35583	0.8
527.36914	0.5
529.39258	0.6
535.41718	2.7
539.37512	1.7
541.38947	1.2
545.38562	0.5
555.41650	0.5
573.42609	0.7
591.44019	6.2
595.47388	0.8
607.43567	1.7
609.45123	100.0
610.45471	3.7
611.46857	0.9
621.44714	1.1
633.45093	1.0
651.46185	1.1
674.23242	0.6
699.46698	0.7
717.47241	0.9
735.48462	1.1
753.49634	2.7
771.50421	20.8
772.51904	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	1.1
55.05420	10.1
55.05720	2.5
57.03341	3.0
57.06977	1.8
61.02826	9.9
61.03170	2.0
61.28431	0.6
62.76936	0.5
65.03854	1.6
67.05402	22.9
67.05802	3.7
67.06007	0.9
69.00302	0.6
69.03324	7.5
69.03732	1.2
69.06966	9.6
69.07365	1.6
71.01279	1.1
71.04879	2.3
71.05286	1.0
71.08539	1.4
71.41023	0.5
73.02808	7.3
73.03247	1.1
79.05378	17.6
79.05889	2.1
81.03302	4.2
81.06939	20.1
81.07477	2.6
82.07336	0.7
82.74712	0.6
83.04874	2.1
83.05359	1.1
83.08498	6.1
85.02785	9.8
85.03344	1.1
85.06444	1.5
91.03831	5.5
91.05358	14.1
91.05971	1.0
92.05732	1.3
93.06920	17.8
93.07554	1.3
94.07318	1.0
95.04850	2.9
95.08480	20.5
95.09156	1.8
97.02773	9.9
97.06444	1.5
97.07066	0.5
97.10051	3.3
98.21508	1.7
99.04385	1.1
99.08001	0.9
101.02254	1.7
103.03867	0.6
103.05389	0.7
105.06901	15.4
107.04853	0.9
107.08459	12.9
108.08801	1.0
109.02789	1.3
109.06429	1.4
109.10152	6.7
111.07983	1.2
115.05295	1.6
116.06211	0.6
117.06886	7.7
117.07767	1.4
119.08443	11.9
119.09367	0.8
120.08794	0.9
121.06357	1.1
121.10149	8.1
123.07984	1.4
123.11562	2.6
125.09553	1.3
127.03771	2.2
128.06224	3.5
129.07004	9.9
131.08563	13.0
132.08731	0.6
133.10129	11.3
135.07961	1.1
135.11710	4.5
137.13153	1.2
138.45770	0.6
141.07005	4.1
142.07593	1.9
143.08563	9.9
144.09166	0.8
145.10129	11.7
147.07954	0.8
147.11661	5.4
149.13248	3.0
151.11119	0.8
153.06891	1.1
154.07724	1.1
155.08549	10.0
156.09193	1.0
157.10117	13.5
159.08005	0.7
159.11691	8.3
161.13269	3.5
163.11089	1.1
163.14702	0.8
165.06902	1.1
166.07712	1.1
167.08557	4.5
168.09253	1.4
169.10139	11.1
170.10791	1.1
171.11684	10.3
173.13260	5.1
175.14667	2.2
179.08429	2.2
180.09157	1.1
181.10118	7.2
182.10799	1.1
183.11702	10.5
183.48911	0.7
184.07249	1.4
185.13254	7.3
187.14836	3.6
189.16272	0.8
193.10165	3.4
195.11725	7.7
195.13423	1.1
196.12210	1.4
197.13268	8.9
199.13287	0.6
199.14819	4.8
201.16277	1.6
203.17819	0.7
205.09903	0.7
207.11633	2.7
209.13240	6.5
211.14818	5.6
213.16272	2.6
215.17799	1.2
219.11566	1.3
221.13383	3.5
223.14790	4.5
225.16397	4.2
227.17914	1.4
235.14795	3.1
237.16386	3.2
239.17984	2.9
241.19632	0.7
247.14713	0.8
249.16270	2.3
251.17860	1.9
253.19713	0.9
257.18906	1.1
261.21915	0.9
263.17975	0.9
264.21866	0.6
265.19470	1.0
267.20944	1.2
278.21835	0.7
279.20990	0.8
283.20383	0.6
291.20798	0.9
293.22388	0.6
297.21954	0.8
321.21884	1.4
321.25543	0.7
325.25015	1.0
337.25006	1.3
339.23062	0.8
349.25244	0.7
351.26569	1.1
353.24741	1.1
365.28241	1.4
391.30029	0.7
405.31326	0.9
409.31335	1.0
447.32532	1.0
449.34241	0.7
473.32581	0.9
475.34708	0.8
487.34790	0.8
499.39487	0.9
513.36383	0.7
515.37781	1.0
517.40399	6.1
527.37531	1.3
529.39099	0.9
530.39447	1.8
535.41687	3.1
539.37280	1.9
540.38556	0.7
541.38806	1.4
591.44067	8.5
607.43286	2.4
609.45111	100.0
610.45551	4.8
611.46680	1.5
612.47028	9.1
621.44952	1.2
625.42865	0.7
630.47858	1.7
651.46143	0.9
653.39978	1.1
675.45825	0.8
699.44836	0.9
717.47516	1.5
732.38763	0.7
735.48273	2.3
753.49072	2.6
771.50391	24.1
772.50092	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	12.5
55.05265	2.1
55.05511	32.7
55.65802	1.1
57.03438	9.8
57.07063	2.4
61.02927	1.6
64.47823	1.2
65.03935	5.3
65.18202	1.0
67.05503	80.8
69.03423	6.4
69.07071	30.6
69.81707	1.2
69.90104	6.1
69.90404	1.3
71.04993	4.5
73.02921	1.2
73.06545	1.4
77.03909	1.4
77.80531	1.2
79.05493	100.0
81.03419	17.2
81.07055	79.7
81.07769	1.8
83.04976	20.2
83.08617	15.4
85.02929	6.0
85.06542	5.5
86.09716	2.6
91.05479	81.5
93.07043	98.1
95.04970	23.4
95.08605	44.9
95.99246	1.2
96.23898	1.3
97.02885	4.1
97.06528	19.7
97.10154	11.1
99.08102	3.6
100.68176	1.1
105.04510	2.7
105.07030	65.0
107.04954	15.4
107.08590	39.3
109.02892	2.3
109.06501	9.4
109.07743	1.1
109.10162	11.6
109.44859	1.2
111.08070	5.7
113.09657	1.3
115.05490	3.0
117.07015	20.0
119.08583	42.7
120.08095	2.1
121.06503	6.7
121.10131	12.7
123.08081	9.2
123.11726	2.9
125.09634	8.6
125.33180	1.3
127.03938	3.0
127.07542	2.2
128.06233	4.5
129.07011	20.4
130.07747	1.9
131.08562	18.6
133.06590	1.4
133.10136	25.1
135.08086	4.8
135.11661	12.4
137.09608	2.9
139.09888	1.1
139.11168	1.5
141.06996	2.9
143.08556	12.6
145.10124	23.8
147.08067	3.4
147.11679	42.9
149.09622	12.4
149.13255	8.2
151.11127	2.0
153.09117	1.3
155.08594	1.5
156.09254	1.3
157.10150	3.7
159.11684	13.4
161.09641	4.5
161.13234	11.9
163.11150	11.9
163.14885	1.3
169.10107	3.5
171.11684	26.1
173.04445	1.9
173.09630	1.5
173.13271	4.0
175.11113	1.5
177.12747	2.4
179.14333	4.2
181.10112	1.6
184.07356	1.5
184.66663	1.4
185.13258	2.5
189.11234	3.1
189.12766	9.1
195.13806	2.7
197.13275	2.0
207.13792	27.5
225.14790	1.7
227.12741	16.7
229.19521	3.9
239.18010	4.0
247.20564	2.9
255.15823	6.8
257.18967	9.6
269.17508	14.8
275.17474	0.9
275.20050	36.2
281.17471	67.2
282.17752	1.4
293.21106	2.8
331.22665	2.5
349.23752	24.9
367.25253	1.6
377.23096	1.7
413.21478	2.1
435.27371	5.8
451.26846	4.6
457.29526	1.4
459.31326	2.8
461.29001	25.7
475.30554	94.4
476.31021	2.2
497.32458	1.4
516.85907	1.4
527.37335	2.6
537.35406	4.5
555.36798	63.9
573.37701	7.0
619.34698	2.7
717.42804	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	13.9
55.05263	2.5
55.05512	32.9
57.03436	12.1
57.07066	2.5
61.02907	5.2
65.03933	6.1
67.05502	77.3
69.03425	7.3
69.06721	2.6
69.07067	27.8
69.89328	5.6
71.01319	2.6
71.04977	3.9
73.02906	2.4
73.06561	1.9
77.03907	2.5
79.05493	93.8
81.03414	17.5
81.07057	77.9
83.04971	17.8
83.08617	16.0
85.02886	6.2
85.06547	5.3
86.09706	1.7
91.03908	2.9
91.05479	84.7
93.07043	100.0
95.04967	21.4
95.08610	39.7
97.02899	5.8
97.06528	20.7
97.10166	16.3
103.05463	3.2
105.04485	5.5
105.07034	70.7
107.04946	15.7
107.07860	2.8
107.08590	43.5
108.08962	2.5
109.06531	13.0
109.10152	17.7
111.08063	3.7
115.05433	2.6
117.07004	19.5
119.08583	45.2
121.06493	7.1
121.10139	17.5
123.08068	7.4
123.11659	3.7
124.56230	1.4
125.00034	1.8
125.09624	10.8
127.03898	5.1
128.06252	2.6
129.07001	20.1
131.07858	1.5
131.08586	15.9
133.06497	2.2
133.10130	26.9
135.08076	4.4
135.11693	10.8
137.09589	4.6
141.07027	2.1
143.08528	13.9
145.06490	1.7
145.10117	28.5
147.08098	4.1
147.11691	38.8
149.09618	15.1
149.13260	5.3
155.08597	2.4
156.09366	2.6
157.10118	5.9
159.11708	13.4
161.09634	5.6
161.13271	14.9
163.11194	11.5
169.10124	5.7
171.10246	3.5
171.11673	29.8
173.13248	5.0
175.11285	2.0
177.12721	3.1
179.14275	3.4
181.10075	3.0
181.12219	2.7
183.11681	4.8
184.07358	4.0
185.13300	2.6
187.11214	2.6
187.14862	3.0
189.11197	6.1
189.12773	9.2
195.13826	2.1
197.13272	4.7
207.13789	25.2
211.14853	1.9
225.14760	1.6
227.12775	19.3
229.14229	2.5
229.19402	3.0
239.17914	3.2
247.20575	1.9
255.15851	2.3
257.18994	13.1
259.20651	1.9
269.17444	6.9
275.20065	41.8
276.20596	1.7
279.15930	2.2
281.17480	85.9
283.15384	4.0
291.19580	6.1
293.21112	3.3
313.21719	2.3
331.22629	4.0
333.24319	2.7
349.23679	34.0
365.23160	2.3
367.24390	1.9
377.23441	2.1
387.43961	1.5
419.24435	2.7
431.02484	1.7
435.27567	4.3
451.20880	2.0
451.26697	10.5
459.30972	3.6
461.29047	13.9
475.30576	37.1
537.35614	5.9
541.35400	2.0
555.28052	3.7
555.36780	76.2
556.37347	2.5
573.36780	6.1
607.42828	2.2
608.43677	7.9
770.48566	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	769.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.1
55.05267	2.9
55.05515	33.1
57.03447	11.1
57.07063	4.8
59.04961	1.8
61.02926	14.0
65.03936	10.1
67.05508	62.3
67.05871	3.1
69.03431	28.4
69.06792	1.8
69.07076	21.2
71.04980	6.2
71.08631	2.0
71.57025	2.8
73.02914	9.1
79.05495	52.2
81.03419	37.9
81.06584	3.5
81.07061	62.2
83.04977	14.0
83.08629	11.9
83.82978	1.6
84.43091	1.5
85.02915	19.5
85.06528	4.3
91.03951	7.3
91.05480	57.2
93.07043	49.6
95.04970	9.9
95.08605	43.0
97.02899	19.3
97.06517	8.5
97.10194	9.5
99.04455	7.6
99.08063	2.6
101.02393	2.0
103.05482	4.1
105.04517	2.4
105.07030	51.4
107.04947	5.5
107.08599	31.4
109.02913	8.7
109.06526	5.6
109.10162	19.2
111.04414	3.3
111.08087	5.3
113.09646	1.8
115.03880	1.8
115.05452	3.9
117.07023	27.5
119.08586	34.3
120.83189	1.7
121.06483	3.8
121.10153	24.4
123.08078	4.1
123.11691	3.7
125.09603	3.9
127.03910	7.6
128.06227	5.5
129.05475	6.1
129.07007	16.6
130.07826	1.8
131.08556	29.7
133.06496	3.0
133.10130	26.6
135.08049	4.1
135.11691	12.7
137.09625	4.5
141.06979	9.5
142.07784	5.7
143.08572	23.0
145.06490	3.1
145.10107	27.2
147.08052	2.0
147.11696	13.5
149.02354	47.4
149.03432	3.5
149.09583	4.3
149.13274	6.3
151.07481	2.1
153.06996	4.0
154.07747	2.4
155.08545	20.5
156.09372	3.2
157.10120	22.0
159.08057	2.6
159.11679	17.4
161.09615	3.5
161.13243	6.7
163.11139	2.8
165.07024	3.3
166.07817	3.0
167.08565	10.2
168.09264	3.9
169.10156	19.2
171.08115	1.8
171.11679	16.2
173.04453	14.4
173.09636	2.9
173.13268	11.1
175.14828	4.3
177.12706	2.3
179.08528	4.7
180.09360	3.5
181.10118	17.8
182.10991	2.0
183.11688	21.2
184.12581	2.0
185.09724	2.4
185.13252	11.6
187.11212	2.8
187.14851	5.7
189.12798	3.4
192.09314	2.2
193.04967	47.0
193.10117	5.2
194.10791	2.0
195.08009	1.7
195.11691	14.2
196.12463	2.8
197.13287	13.8
199.11122	2.4
199.14833	8.6
201.16351	3.4
205.10130	2.9
207.11710	10.5
209.13257	14.1
211.14801	8.7
211.64259	1.8
213.09247	2.1
213.12708	3.0
213.16393	5.7
219.11703	3.6
221.13249	8.4
223.11095	1.9
223.14844	6.8
225.16356	6.3
227.14374	2.0
233.13271	3.3
235.14876	5.6
237.16396	5.9
239.17950	2.2
241.19588	3.4
247.14766	4.0
249.16400	2.6
251.17847	3.2
257.19101	3.8
259.20593	3.7
273.18622	2.3
275.20087	11.8
277.21875	2.4
283.20468	3.7
291.21066	2.3
311.19675	2.4
315.23444	2.3
321.21707	2.5
323.23386	2.4
325.21890	2.9
333.24393	2.9
335.26447	2.1
339.23212	2.4
349.24237	3.3
367.22766	5.1
403.24799	3.0
441.26483	2.3
445.31018	2.2
513.35852	4.6
515.38611	6.7
529.38977	2.8
533.39642	4.6
537.35968	2.0
551.40973	2.7
571.41534	2.2
589.42249	6.5
592.43903	3.8
605.40991	2.6
607.43555	100.0
608.43817	5.9
609.44849	3.6
611.46265	7.2
625.44312	5.5
671.41632	4.4
715.46313	3.2
733.46368	4.9
734.47900	1.9
751.47900	10.0
769.17804	3.4
769.48938	54.5
770.18921	2.6
770.48639	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	767.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	11.7
60.60483	5.7
69.03419	7.8
79.19524	5.1
85.02911	14.4
97.02831	7.2
98.20734	14.2
98.97612	24.8
101.00875	9.5
110.97572	9.8
113.00781	5.7
116.98625	9.5
119.01878	10.2
122.01385	7.4
123.01273	9.4
127.03968	9.7
128.98598	8.7
131.01903	22.9
131.51962	14.4
132.01820	5.8
137.01888	7.6
137.05972	9.1
138.05518	12.0
143.00209	6.9
143.01915	43.3
143.51978	7.3
144.01785	8.3
145.03487	7.8
146.99643	6.9
151.00734	7.8
152.02367	7.8
152.52429	6.9
153.02422	5.9
155.01904	13.1
158.99632	6.8
161.02985	27.8
164.52554	7.8
167.01968	13.2
170.99615	9.5
173.02959	40.3
173.53101	14.9
174.02875	12.2
177.00719	8.2
178.98567	5.3
182.03551	5.2
185.03006	31.9
185.27206	6.0
197.03001	12.2
201.00789	12.8
202.02316	6.6
203.04066	16.8
203.53992	14.4
208.54262	5.7
217.07996	5.0
219.01828	12.1
227.00793	6.6
227.04070	8.0
237.02817	9.9
243.01846	5.6
245.05066	100.0
257.01910	6.5
257.04956	7.1
261.02844	21.7
263.06042	15.0
269.01736	14.7
273.02808	6.6
275.06226	14.3
279.03815	5.7
284.06708	14.1
284.56787	14.4
285.06689	10.8
291.06982	4.9
305.07211	9.1
309.50516	5.3
327.04300	6.0
336.66626	6.1
339.09253	15.1
365.09311	46.3
365.59357	21.4
366.09326	19.9
366.59222	6.6
373.07999	20.5
399.11423	10.6
425.03900	6.2
425.10660	38.0
426.06516	9.2
449.08066	8.5
499.10635	5.8
596.11316	5.3
721.49829	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	761.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
53.75331	0.3
55.01863	0.7
55.05504	1.3
56.73205	0.3
57.03432	1.2
58.29986	0.3
61.02926	5.1
63.46060	0.4
67.05505	4.4
69.03439	2.2
69.07072	1.5
71.04992	0.5
73.02917	3.4
79.05494	3.8
81.03423	2.3
81.07051	4.2
83.04973	0.6
83.08628	0.9
85.02901	4.4
86.09702	1.3
87.04468	0.6
91.03956	2.7
91.05474	4.1
93.07042	5.8
93.61260	0.3
95.04993	1.2
95.08606	3.4
97.02890	3.6
97.06528	1.2
97.10192	0.6
99.04449	1.0
101.02407	1.1
105.07024	3.6
107.04974	0.4
107.08602	3.0
109.10170	1.3
117.07001	1.0
119.08576	2.9
121.10187	2.0
125.00002	1.0
127.03915	1.5
129.07025	0.8
131.08586	0.7
133.10112	2.4
135.11720	2.3
143.08549	0.6
145.10114	1.7
147.11725	1.4
149.13263	0.6
157.10143	0.6
159.11702	0.6
163.11185	2.0
171.11688	0.6
181.12265	0.5
184.07341	5.1
185.04195	0.7
201.03615	0.4
203.05229	0.5
212.21043	0.3
217.80730	0.4
219.09871	0.4
227.12686	1.8
243.08414	3.6
249.10986	12.3
259.20657	0.7
289.14252	0.5
298.55322	0.4
301.09006	1.7
305.13733	1.2
308.78796	0.3
315.10556	1.0
316.36508	0.4
338.81485	0.4
347.14783	1.1
355.13669	0.5
361.16257	0.5
365.46225	0.4
371.16867	0.7
373.11273	0.5
375.39819	0.4
377.15051	0.5
383.16809	0.5
387.12808	0.5
393.15167	0.8
428.89142	0.4
443.19351	0.6
465.21228	1.1
467.18887	8.0
535.28784	8.7
539.20782	2.5
553.22705	0.6
567.23871	0.6
581.25842	0.5
599.35565	0.5
609.29199	0.5
623.30469	0.7
761.40796	100.0
762.40955	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	761.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.05505	1.6
57.03444	1.7
61.02925	4.5
67.05505	3.7
69.03429	2.9
69.07079	1.2
71.01353	0.4
71.04992	0.7
73.02914	3.4
79.05486	4.6
81.03410	1.2
81.07054	4.5
83.04984	0.5
83.08621	0.7
85.02914	4.5
86.09707	2.0
87.04478	0.5
91.03947	2.2
91.05474	3.9
93.07044	5.8
95.04984	1.0
95.08617	3.0
97.02892	3.8
97.06528	0.7
98.20737	1.0
99.04462	1.1
101.02385	1.6
105.07035	3.5
107.04938	0.4
107.08597	3.1
109.02880	0.6
109.10159	0.8
115.03928	0.4
117.07021	1.1
119.08598	2.6
121.10134	2.3
125.00018	1.3
127.03938	1.5
131.08591	1.1
133.10123	2.0
135.11697	3.1
145.10153	1.8
147.11670	1.1
149.09616	0.6
149.13268	0.7
159.11758	1.0
161.13246	0.5
163.11214	2.9
171.11684	0.4
181.12323	0.6
184.07356	5.2
185.04237	0.7
185.07704	0.9
185.13254	0.4
187.07578	0.4
227.12790	1.6
227.80348	0.4
241.06796	0.5
243.08415	3.7
249.10999	12.5
259.07922	0.4
259.20648	0.6
289.14172	1.1
301.08926	1.7
305.13608	1.3
315.10590	1.1
317.21011	0.4
347.14694	0.7
371.16907	0.7
373.11310	0.6
393.15451	0.9
465.21155	1.1
467.18839	7.8
483.17612	0.4
535.28796	9.4
535.36676	0.6
539.20746	2.1
550.60577	0.5
563.39191	0.4
567.24603	0.9
581.26135	0.6
599.36554	0.4
623.30695	0.9
743.46356	0.7
761.40784	100.0
762.41229	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	760.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.8
59.05005	1.0
67.05505	1.8
69.03423	2.6
69.90096	0.6
79.05492	1.5
81.07050	1.7
86.09711	1.1
87.04468	100.0
89.35805	0.7
91.05465	0.8
93.07039	1.9
95.08625	1.7
98.21523	1.6
104.12589	0.7
112.03987	0.6
117.07005	1.3
118.54000	0.6
119.08642	0.8
121.10104	0.9
125.00017	1.1
130.05026	2.1
131.08595	0.7
184.07329	5.9
229.24330	0.8
269.17337	0.7
385.12991	3.8
386.13815	6.9
398.14090	0.8
399.14606	5.6
400.15353	22.4
400.20511	1.3
401.16132	6.4
410.12790	1.3
411.13882	1.9
412.15302	1.4
413.15994	5.3
414.16904	8.6
415.17560	3.1
421.90292	0.8
424.14816	2.1
425.15146	3.7
426.16684	2.6
427.17841	3.9
428.18539	5.6
429.19312	19.9
430.20142	1.0
437.16129	1.1
438.16068	1.0
439.17081	1.8
440.18311	1.3
441.19257	4.1
451.17285	0.7
452.18204	1.5
454.18967	2.7
455.17157	1.1
456.18298	1.8
457.19000	2.9
466.18869	2.4
469.18823	2.3
473.18500	1.3
480.17352	1.4
481.18225	1.1
482.18469	2.0
483.15817	0.9
485.22458	0.8
486.19324	1.5
487.20346	0.8
488.20694	8.5
494.18799	3.4
496.19525	0.6
502.22195	1.6
509.17551	1.0
510.18256	0.8
511.19977	0.6
515.22998	2.1
516.23657	10.0
517.24359	6.8
526.22394	0.9
527.22687	1.9
529.21063	1.8
531.22620	2.9
541.22113	0.7
542.23358	1.5
543.22449	6.4
544.23193	10.9
545.23950	12.8
554.22174	1.3
555.22382	1.2
560.23401	0.9
561.23566	1.2
571.22156	3.4
575.21283	0.9
581.20758	1.3
585.23383	5.1
587.25446	3.9
589.22864	3.3
613.23035	2.1
629.29144	1.3
631.24115	1.3
656.26996	2.2
657.20697	1.4
684.26599	1.0
688.29755	14.0
689.30054	1.0
698.28613	1.2
716.29279	93.0
717.29010	4.2
732.28577	1.0
734.17120	0.7
742.27216	2.0
760.28314	3.1
760.40271	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
54.03459	0.9
55.01844	0.4
57.03423	0.9
59.42688	0.3
61.02928	0.3
64.72770	0.3
69.03419	0.5
69.76786	0.3
70.06587	0.6
70.24780	1.2
71.01357	0.3
71.04990	2.3
75.04465	0.5
80.05033	0.7
81.03413	0.7
83.04958	0.4
85.02908	4.6
91.05476	0.3
97.02891	0.6
97.06542	0.8
98.97592	0.3
105.07085	0.4
108.04489	0.6
109.02895	0.3
111.04409	0.5
120.04467	0.5
121.02873	0.6
121.99857	0.3
122.06005	0.6
123.04400	0.5
127.03905	0.5
129.05478	1.2
131.04930	0.3
132.04468	0.4
137.02339	20.9
137.03371	1.1
137.05952	0.7
138.02708	0.3
145.04845	0.3
146.06004	0.5
147.04555	0.3
147.06596	0.4
151.03894	1.2
159.04478	0.3
163.03911	0.6
171.04434	0.3
174.05545	0.8
184.07631	0.4
187.03917	1.1
188.04645	0.4
196.19817	0.3
199.03932	0.8
201.05484	1.1
203.03471	0.5
211.03876	3.1
212.07140	0.3
214.04962	0.4
214.57205	0.3
215.03391	2.1
227.03415	1.1
229.04877	0.5
233.12032	0.4
235.07518	0.3
238.04980	0.5
239.03337	0.7
240.06688	0.7
241.05223	0.3
248.63623	0.3
249.54164	0.3
250.14336	0.8
256.06018	0.8
263.07187	0.7
265.04709	0.3
266.04489	0.4
270.07404	0.6
275.07138	0.4
280.05963	0.6
281.08060	0.8
284.05542	1.1
287.05441	0.4
291.06586	0.5
303.06287	0.4
305.10736	0.4
307.06024	0.4
309.07480	0.9
315.05154	0.6
319.06097	0.8
321.07520	0.7
322.10837	0.3
325.07098	0.9
331.06024	0.9
336.08920	0.4
337.07053	2.1
339.04910	1.4
349.07077	1.6
350.10324	0.4
353.06482	2.0
360.08939	0.5
361.06885	0.3
363.04919	3.2
364.08188	1.1
365.06555	20.6
366.07224	0.8
376.05780	0.9
377.06543	23.5
378.06140	2.1
379.04126	0.3
379.08112	2.0
380.07712	0.9
381.05997	0.6
388.08206	0.5
389.06412	2.3
391.07758	2.8
392.07706	2.7
393.06000	0.4
404.07681	1.2
405.05692	4.2
406.09277	20.6
407.08386	0.6
409.05698	2.7
416.07581	0.4
419.06250	1.2
420.10776	1.2
423.07047	1.0
432.07397	0.5
433.08875	0.4
434.08698	100.0
435.08926	2.4
436.23184	0.4
448.10294	6.4
452.09760	24.0
453.10410	0.6
462.89676	0.3
464.09698	0.6
466.11328	3.0
476.09903	1.1
490.11588	0.8
518.10895	3.4
544.12177	0.8
552.14880	0.8
562.13446	0.6
578.12933	0.4
580.14508	4.0
596.13995	8.1
614.15063	9.9
628.16473	0.6
638.14819	1.0
680.16180	1.0
714.19373	0.5
724.18005	0.4
742.19733	12.0
760.20447	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01868	0.7
55.05517	1.7
57.03435	1.9
61.02932	3.8
67.05505	4.8
69.03439	2.3
69.07054	1.7
69.30065	3.1
71.04985	0.6
73.02921	3.1
79.05497	5.4
81.03427	2.0
81.07066	3.6
83.04983	0.7
83.08626	1.1
85.02903	3.7
87.04443	0.4
91.03967	2.5
91.05481	4.6
91.06004	0.3
93.07051	6.0
93.97776	0.3
95.04970	1.4
95.08611	2.7
97.02902	3.9
97.06557	0.5
99.04458	1.1
101.02368	1.7
105.07033	4.0
107.04957	0.4
107.08598	2.7
109.02887	0.8
109.06567	0.4
109.10159	1.2
115.03971	0.5
117.07035	1.1
119.08585	2.9
121.10162	1.1
127.03924	1.3
129.05482	0.9
129.07034	1.3
131.08603	0.8
133.10144	1.7
135.11720	0.7
143.08600	1.0
145.10141	1.4
147.11671	2.3
149.13327	0.6
157.10181	0.5
159.11742	0.7
161.13301	0.7
171.11734	1.2
179.14288	0.3
184.07326	0.9
185.04260	0.8
185.13300	0.4
201.03679	0.3
203.05238	0.8
207.13916	0.6
209.46762	0.3
243.08411	3.2
247.13039	1.8
259.20624	0.4
281.17676	0.4
293.03323	0.3
301.09006	1.2
315.10645	0.8
317.21082	0.6
345.16855	0.4
357.15808	0.3
371.16904	0.6
373.11102	0.4
385.18417	0.4
437.21924	0.4
465.20972	9.7
466.21634	0.4
495.22174	1.0
535.28748	7.0
537.23108	1.4
565.26514	0.4
579.28821	0.4
759.42908	100.0
760.43427	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	758.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01878	2.3
55.05509	13.9
57.03435	9.9
57.07080	1.7
60.08162	3.8
61.02926	2.6
65.03931	1.9
67.05507	32.9
69.03425	3.0
69.07064	10.3
70.65532	1.3
71.04993	3.2
71.07365	3.5
71.56044	1.4
71.56433	1.4
79.05492	35.0
81.03421	30.2
81.07056	35.6
83.04972	9.1
83.08623	16.3
85.02905	11.5
85.06543	2.0
86.09702	28.9
91.03946	2.2
91.05484	45.1
93.07042	33.6
95.04977	15.6
95.08609	21.4
97.02892	2.8
97.06528	4.3
97.10162	3.0
98.98433	1.2
99.08101	2.6
103.05466	2.2
104.10733	4.1
105.07032	47.3
107.04966	4.9
107.08588	19.6
109.06506	3.7
109.10159	10.7
111.08054	5.3
113.66090	1.1
115.05505	2.2
117.07026	9.5
119.08575	37.9
121.06490	3.1
121.10152	14.3
123.08022	2.4
125.00011	17.9
125.09658	2.7
129.07011	10.9
131.08572	20.2
133.10130	30.0
135.08070	1.4
135.11694	11.3
137.09621	1.8
141.07007	2.5
143.08554	7.3
145.10143	13.1
147.08075	2.1
147.11699	27.0
149.09622	6.0
149.13220	4.0
155.08572	1.8
157.10129	11.7
159.11691	10.8
161.13229	16.6
163.11160	2.3
163.14888	3.0
167.08574	1.7
169.10127	2.0
171.11716	7.3
173.13271	6.5
175.11163	7.0
175.14731	5.6
183.11714	2.9
184.07346	100.0
185.13313	6.5
187.14854	1.3
193.12244	19.8
195.11739	2.0
197.13307	2.0
199.14856	4.7
211.13268	22.5
211.15028	2.2
217.19479	1.2
227.12840	2.4
229.14297	1.5
231.21001	2.8
241.19501	16.7
253.14273	1.5
257.18945	2.6
259.20575	45.1
261.22159	1.5
267.15848	10.4
269.17477	1.4
271.05975	1.3
275.20068	2.9
277.21695	1.5
283.15424	2.0
285.16983	31.9
291.19614	2.6
297.22067	1.6
315.23242	7.5
333.24228	36.5
334.24237	1.4
335.25809	2.2
349.16949	1.7
433.30960	3.9
451.31995	5.9
469.32974	2.4
471.95532	1.3
487.34427	1.6
507.34821	1.4
515.37531	1.6
525.35767	20.5
543.36798	52.0
544.37262	1.8
561.37524	5.3
601.62897	1.2
651.39081	1.7
687.40863	1.6
740.44324	3.1
758.44971	4.4
785.64270	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96288	0.6
56.96553	4.9
66.60960	0.5
67.56601	0.4
68.27804	0.5
68.96566	0.5
84.41408	0.4
84.96030	4.1
95.22568	0.4
98.21633	1.0
98.97581	54.7
110.97565	29.2
110.98709	0.5
112.99118	1.3
116.97827	0.7
116.98610	11.8
124.99094	2.8
127.00660	0.7
128.97691	1.0
128.98601	16.0
131.00165	1.2
131.01863	0.4
134.99582	1.7
140.97575	0.5
140.98595	6.6
143.00159	10.6
143.01834	0.6
146.99652	3.7
152.73950	0.5
152.98589	4.8
155.00079	0.7
157.94452	0.5
158.98286	0.8
158.99654	25.1
161.01227	4.7
170.99651	43.1
173.01215	1.1
177.00711	9.0
179.02296	0.7
182.99651	26.0
185.01201	0.7
189.00702	21.0
194.99721	1.1
195.01712	0.7
201.00699	50.4
202.01071	0.5
206.99815	0.7
207.01761	1.5
213.00732	4.5
219.01768	34.9
220.78371	0.4
231.01753	4.2
237.02818	14.0
243.01762	27.0
249.02666	0.8
254.99452	2.3
255.03825	0.6
261.02817	100.0
262.03134	1.3
273.00327	2.0
273.02863	7.5
279.03873	33.4
284.06726	0.7
291.03848	14.3
297.05008	0.9
302.05612	1.1
303.03665	0.9
309.04642	0.9
321.04922	27.9
333.05005	4.0
351.06030	9.1
363.05954	0.9
365.09253	0.6
381.07050	15.0
382.07767	0.5
399.08105	10.4
417.04700	84.4
418.05249	0.9
423.08087	0.9
435.05768	6.1
441.09158	74.8
442.09491	1.3
453.09103	1.3
458.07513	0.6
471.10153	3.3
501.11264	7.7
525.11707	0.7
536.93628	0.5
543.12445	3.5
561.13422	1.0
709.57001	0.5
723.18787	4.6
754.87915	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95740	0.4
55.05495	1.1
56.05027	0.6
57.03414	0.7
58.06609	0.5
60.07885	0.5
60.08168	6.5
65.71806	0.4
67.05505	2.2
69.07059	1.3
70.14486	0.4
70.22748	0.8
70.23131	0.8
71.07382	3.4
79.05479	1.5
80.85863	0.5
81.03423	0.9
81.07064	2.7
83.08608	0.5
85.02926	0.6
86.09706	31.1
91.03974	0.6
91.05458	2.4
93.07057	2.0
95.04923	0.4
95.08597	1.1
97.02886	0.8
97.06585	0.5
97.10133	0.6
98.21472	0.7
98.98457	3.4
104.10738	4.0
105.07040	2.1
107.08601	1.1
109.10144	0.9
110.10072	0.4
112.04006	0.4
117.06958	0.7
119.08558	1.6
121.10168	0.6
125.00008	19.4
131.00223	0.4
131.08525	1.0
133.10130	1.2
145.10147	0.8
147.11705	0.5
184.07343	100.0
185.07652	0.8
225.16069	0.4
253.14409	0.8
259.20633	0.6
269.17508	0.7
275.20154	0.5
291.19476	0.5
456.33209	0.4
522.44141	0.4
543.36731	1.2
658.36719	0.6
740.44910	4.0
758.46307	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	758.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
53.44909	1.1
55.01867	8.0
55.05512	49.3
57.03440	25.0
57.07061	2.0
58.73670	0.9
59.04998	7.1
61.02641	1.7
61.02930	18.0
65.03928	2.4
67.05505	100.0
69.03435	8.0
69.07069	13.0
70.38002	1.0
70.84398	1.8
71.01355	1.9
71.04986	5.6
73.02918	9.8
75.04485	2.1
79.05492	29.3
81.03415	17.4
81.07058	38.1
83.01328	2.0
83.04985	14.3
83.08146	1.7
83.08619	21.1
85.02909	41.6
85.06535	4.1
86.09655	1.0
87.04463	9.3
91.03953	16.4
91.05474	15.1
93.07049	16.4
95.04979	8.6
95.08610	15.5
97.02890	17.4
97.06537	6.2
97.10173	37.8
99.04440	2.0
99.08089	1.7
103.03956	14.2
105.07016	6.3
107.04947	6.3
107.08594	21.3
109.02876	1.6
109.06514	2.5
109.10159	91.0
110.10479	1.5
111.04441	6.4
111.08073	5.1
113.05997	1.5
115.03949	1.4
117.06983	3.5
119.08574	10.8
121.06472	1.1
121.10142	7.7
123.08092	2.9
125.09630	40.6
127.03915	6.8
129.05472	2.2
129.07002	2.5
131.08559	4.6
133.10178	3.1
135.11691	8.1
137.09578	4.6
143.08524	1.4
143.10670	10.5
145.04980	9.0
145.10095	5.5
147.08037	2.8
147.11621	3.1
149.09579	2.2
153.12769	14.2
155.10693	13.4
159.06551	2.0
159.40767	1.1
163.06032	9.4
163.11180	14.5
173.04446	2.8
173.09668	2.6
173.11740	39.0
181.12219	11.3
184.07394	1.9
189.11267	2.5
191.10678	9.5
193.12222	4.0
199.13306	11.4
209.11719	17.1
211.13368	1.7
212.95653	1.0
217.14360	7.1
227.12785	25.8
229.14352	89.9
230.14690	1.2
245.13948	6.2
257.13834	38.7
265.14264	1.7
267.15924	2.3
273.17026	1.0
283.15421	36.7
301.16455	70.1
319.17560	16.8
365.50577	1.1
399.23639	4.3
445.20200	1.2
463.22025	2.6
535.13104	1.2
543.27490	2.0
561.28851	2.6
596.25592	2.4
722.44238	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
54.36845	0.9
55.01873	9.2
55.05511	46.4
56.96549	1.0
57.03436	21.0
57.07061	1.7
59.05003	6.1
61.02925	22.1
65.03938	2.8
65.87305	0.8
67.05504	100.0
67.38991	0.9
69.03428	7.2
69.07063	14.8
70.23013	0.8
71.01360	2.5
71.04990	5.4
71.56458	1.3
73.02917	9.0
75.04473	1.9
79.05491	25.9
81.03414	18.1
81.07055	38.5
83.01343	1.3
83.04979	12.1
83.08617	20.8
84.29864	0.8
85.02906	43.6
85.06548	3.9
86.09688	1.2
87.04464	9.3
91.03958	15.9
91.05473	15.5
93.07036	16.8
95.04967	7.2
95.08604	18.2
97.02890	21.4
97.06541	6.8
97.10170	35.1
98.97571	1.4
99.04465	2.5
99.08090	2.5
101.06017	1.1
103.03932	11.6
105.07033	6.8
107.04951	6.5
107.08597	16.4
109.02879	2.1
109.06512	3.5
109.10156	86.2
111.04426	5.4
111.08065	5.2
113.05984	1.3
115.03860	1.3
117.07015	3.9
119.08586	11.5
121.06502	2.3
121.10172	6.4
123.08072	2.9
125.00037	1.1
125.05989	1.5
125.09626	37.7
127.03915	8.5
127.11166	1.1
129.05508	1.9
129.07004	2.6
130.07813	1.0
131.08568	3.6
133.10141	3.3
135.08049	1.7
135.11664	8.6
137.09604	5.5
139.11179	1.0
143.10686	7.1
145.04951	8.9
145.10118	6.7
147.08025	2.0
147.11676	2.5
149.09695	1.5
153.12723	11.8
155.10661	9.3
157.10133	1.2
159.06551	1.7
163.06012	11.8
163.11179	16.3
165.12761	0.9
169.12383	0.9
173.04507	1.9
173.09642	3.0
173.11737	35.1
181.12253	9.5
184.07362	3.0
189.11166	1.5
191.10686	9.2
193.12236	5.1
199.13266	13.7
199.98192	0.8
209.11737	21.1
211.13231	1.3
216.91962	0.8
217.14410	5.3
227.12782	22.1
229.14349	78.8
230.14563	1.3
241.14346	1.3
245.13977	5.8
249.15097	1.2
257.13831	84.1
258.14197	2.0
265.14600	1.1
267.15897	4.0
273.17044	1.1
283.15405	36.2
285.17105	1.7
301.16452	66.6
302.16913	1.8
319.17523	14.8
399.23761	2.3
401.18210	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
55.01865	1.2
55.05512	0.6
57.03438	2.2
59.05003	0.3
61.02928	1.5
65.03931	0.4
67.05499	1.2
69.07069	14.9
70.06591	0.5
71.04984	0.9
71.07217	0.8
74.03886	0.3
79.05492	7.3
81.07076	1.3
84.08135	0.3
85.06553	0.7
87.08092	0.4
89.38540	0.3
91.05479	7.3
93.07060	0.4
95.04978	0.6
97.06531	51.6
98.06903	0.4
98.97548	0.3
105.07047	0.3
106.06548	0.5
107.04952	0.7
107.08585	0.3
109.06513	1.1
110.70352	0.3
111.08092	1.1
119.04945	5.1
121.06518	0.7
123.04429	0.9
129.09120	6.8
133.06516	1.4
134.05997	0.5
135.04398	1.8
137.05974	68.7
138.06299	0.7
145.06453	0.3
147.04398	3.8
147.08047	0.4
148.05133	1.5
149.05981	1.6
149.09538	0.6
159.08115	0.4
161.09550	0.4
163.07527	0.9
164.07051	2.3
173.06094	0.3
177.09105	8.6
179.07104	0.3
187.07562	0.3
187.11200	0.6
189.09105	11.4
197.09676	0.4
205.12248	0.5
206.09937	0.6
206.11781	7.6
207.10213	0.3
215.10692	3.2
232.13295	0.6
233.11717	47.2
234.11978	1.0
247.13293	4.9
250.14388	25.1
251.14610	0.4
264.15942	100.0
265.14273	21.8
266.14716	0.3
282.16992	7.5
344.96091	0.3
448.10248	0.4
462.38821	0.3
562.31665	0.3
653.76990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01860	2.4
55.05260	2.0
55.05511	17.5
57.03437	9.3
57.07074	1.6
61.02916	2.3
62.84110	1.0
63.46233	1.1
65.03918	1.3
67.05501	35.7
67.33092	1.0
69.03426	3.0
69.07070	14.5
71.04979	3.3
73.02909	1.9
79.05495	46.0
81.03410	2.6
81.07057	39.6
81.07526	2.5
83.04975	3.0
83.08624	11.6
85.02911	3.5
85.06546	2.4
86.09708	8.4
91.05480	42.7
93.07046	56.6
94.32112	1.1
95.04987	8.3
95.08605	44.3
97.02880	4.8
97.06517	5.1
97.10152	2.0
98.21513	3.7
99.04453	2.9
99.08141	1.3
102.79916	1.0
103.05431	1.6
104.10747	1.2
104.20513	1.0
105.07033	38.9
106.73154	1.0
107.04964	8.6
107.08591	39.4
108.08937	1.3
109.06504	3.3
109.10165	8.1
111.04431	1.3
111.08070	2.8
112.29829	1.1
113.06003	1.1
113.09622	1.8
117.07018	16.2
119.08584	39.8
121.06505	4.7
121.10146	18.4
123.08041	1.9
123.11673	1.5
125.00011	6.3
125.05957	2.7
126.26205	1.1
126.30522	1.2
129.05479	1.1
129.07031	5.3
130.07793	1.6
131.08577	12.1
133.10135	23.8
134.10277	0.9
135.08067	3.6
135.11693	49.1
137.09613	2.2
138.73773	1.1
139.07590	1.9
142.07803	1.4
143.08540	6.1
145.10114	34.4
147.07985	1.4
147.11693	24.9
149.13257	4.9
157.10114	5.1
159.11670	12.2
161.13261	18.7
163.11182	52.1
163.14861	1.5
164.47798	1.0
169.10107	1.4
171.11664	8.5
173.11951	1.1
173.13229	7.1
175.14833	8.8
180.95009	1.0
181.12233	10.2
184.07347	23.6
185.13271	4.8
187.14764	2.2
189.12752	1.2
199.14835	3.7
209.11682	1.9
213.16325	1.7
217.15813	1.4
217.19624	1.4
225.86058	1.1
227.12779	70.7
231.21057	4.1
234.68478	1.1
241.19519	25.3
259.20572	70.5
260.20831	1.4
277.21674	1.2
283.15387	69.6
300.05594	1.7
315.23245	9.2
333.24222	100.0
334.24753	1.4
342.74561	1.2
349.23752	1.3
367.23441	1.1
397.16278	1.3
541.35223	55.4
542.35339	2.2
559.28473	1.5
559.36389	13.4
585.28162	1.6
586.28918	4.9
719.11505	1.4
751.82788	1.6
769.70380	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.2
55.01868	3.6
55.05511	23.6
56.86065	1.6
57.03444	12.0
57.07074	3.6
61.02934	3.0
65.03936	5.4
67.05505	71.7
69.03426	2.7
69.07068	19.2
70.63881	3.4
70.64268	3.7
71.04998	5.1
77.81699	1.8
79.05492	88.5
81.03402	8.1
81.07055	66.0
83.04978	14.3
83.08627	12.0
85.06554	4.4
91.05480	100.0
93.07046	96.4
95.04970	18.5
95.08058	3.2
95.08615	41.6
97.06533	6.4
97.10159	4.3
99.08098	3.7
103.05511	2.4
105.04546	4.7
105.07032	90.3
107.04965	6.0
107.08598	37.5
109.06520	7.4
109.10146	12.6
111.08073	2.9
115.05474	2.6
117.07018	23.7
119.08577	68.6
121.06508	3.8
121.10137	17.8
123.08064	8.7
123.11726	1.9
125.09637	2.1
127.07638	2.0
128.06223	5.3
129.05524	2.0
129.06999	24.6
131.08556	26.3
133.06480	1.9
133.10130	43.5
134.87831	1.9
135.08032	1.9
135.11676	16.6
141.07016	3.2
143.08560	18.2
145.10139	28.8
147.08047	4.0
147.11694	64.2
149.13246	9.3
155.08586	1.8
157.10097	9.3
159.11699	18.8
161.09625	4.9
161.13254	38.4
163.11162	2.3
163.14822	2.5
165.12776	1.6
169.10121	4.0
171.11694	37.0
172.49094	1.8
173.13287	9.7
175.14819	14.4
177.12724	3.5
183.11665	2.6
184.07399	2.8
185.13266	8.9
187.11224	1.9
187.14845	3.9
189.12746	7.6
197.13190	2.2
199.14830	5.4
207.13823	21.9
213.16414	3.1
221.13281	1.8
231.21089	6.5
239.18111	1.7
241.19528	33.8
257.19122	2.9
259.20584	66.1
259.72760	1.7
260.20602	1.8
261.22113	3.6
279.15878	15.5
281.17468	77.0
297.17062	3.7
315.23285	5.0
331.22653	1.8
333.24240	52.7
334.24661	2.7
429.31763	2.6
447.32599	10.9
465.33640	8.0
483.34628	6.3
521.36078	6.1
529.39020	2.4
539.37299	89.6
540.37360	4.0
557.38354	30.3
558.38568	2.6
617.52429	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	1.6
53.04094	0.6
55.01791	3.0
55.05436	5.2
55.05722	0.9
56.96488	0.9
57.03354	5.0
57.03662	1.4
57.07008	0.7
59.04926	2.0
59.05190	1.0
61.02841	11.6
61.03187	2.0
65.03844	2.1
67.05412	47.8
67.06004	1.7
69.03335	5.1
69.06971	4.1
70.06501	2.4
71.04899	3.7
72.08079	1.0
73.02824	4.2
73.03260	1.1
78.05891	0.5
79.05393	12.3
81.03314	20.4
81.06958	15.4
81.07472	1.4
83.04877	2.7
83.08515	9.4
84.04424	0.7
85.02802	10.9
85.06444	2.0
85.06923	0.7
86.09644	1.3
91.03854	5.7
91.05373	21.2
93.06939	9.6
95.04859	6.9
95.08601	8.2
96.11126	0.6
97.02785	9.4
97.03462	0.7
97.06418	3.4
97.10088	1.2
98.97493	0.8
99.04390	1.5
99.08009	0.6
101.02316	1.0
103.05362	1.3
105.07027	9.9
107.04958	3.5
107.08480	6.9
109.02778	1.8
109.06400	2.9
109.10159	45.9
109.10845	2.8
110.10375	0.9
111.04369	0.8
111.08092	4.4
113.05938	0.8
115.05402	1.5
117.06897	2.5
119.04817	4.2
119.08585	9.9
120.07952	2.0
120.08729	0.7
121.06358	1.8
121.10150	6.4
123.04424	3.5
123.07934	1.4
123.11623	1.5
125.09529	1.5
127.03787	2.4
128.06107	1.0
129.07016	5.6
131.04808	1.2
131.08582	5.9
133.06487	3.8
133.10144	6.2
135.04430	3.5
135.07967	1.1
135.11627	1.3
136.06000	0.7
137.05984	32.2
137.06938	1.3
137.09616	3.1
142.07689	1.3
143.08517	1.2
145.04904	0.7
145.06493	4.1
145.09990	2.1
147.04419	6.2
147.08034	3.2
147.11702	4.3
149.01176	1.0
149.06004	4.1
149.09630	6.8
154.08560	1.0
155.10698	2.9
157.06357	2.7
157.07562	0.7
157.10091	4.5
159.07933	2.8
159.11520	1.5
161.05984	11.1
161.09505	1.3
163.03856	0.8
163.07539	3.9
164.06937	1.2
165.05431	1.3
165.12651	1.7
171.07941	1.8
173.04596	0.6
173.05988	7.7
173.09511	1.0
173.11757	8.7
175.07568	7.8
175.11154	4.8
176.10538	1.0
177.09055	0.9
183.08015	0.9
184.07248	1.4
185.06027	0.8
185.09422	0.7
187.07550	8.3
187.11046	0.9
189.05379	1.1
189.09113	3.8
191.06902	1.1
193.12256	9.8
197.09595	1.6
199.07516	3.1
201.09070	2.9
203.07001	1.4
204.10081	1.4
209.09615	0.8
211.11322	1.1
211.13173	4.8
213.08997	2.8
215.10577	1.0
217.08466	0.7
225.09096	0.7
229.14366	11.0
257.15335	5.0
267.13702	1.2
285.14862	7.0
293.05417	0.7
301.17932	1.1
302.17508	7.5
303.15912	5.4
311.16577	4.2
323.16476	0.9
328.18973	1.7
329.17471	11.6
334.22699	0.7
341.17477	1.9
346.20148	9.0
347.18365	2.3
349.23956	0.7
351.20126	1.1
352.20462	1.6
358.19962	1.0
359.18198	0.8
374.15744	1.1
374.65955	0.8
376.21155	2.0
385.19977	2.0
402.22610	1.5
403.21143	1.2
407.33209	1.3
420.23871	5.4
425.17477	1.1
426.18060	0.9
453.33606	1.0
487.26135	0.8
566.46552	0.8
574.33875	3.8
575.32294	1.9
582.29028	0.9
592.34808	100.0
593.34778	3.2
634.35675	1.2
692.26904	1.2
718.37537	3.1
736.39917	4.1
754.40106	91.6
755.40552	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	749.356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.5
58.53077	0.3
61.02921	0.8
64.54057	0.3
66.72007	0.3
67.05506	0.6
69.03421	0.7
69.07071	0.7
70.06582	0.3
71.56756	0.5
76.79381	0.4
79.05491	0.7
81.03441	0.6
81.07066	0.8
82.84496	0.3
85.02917	1.2
86.09717	0.5
91.03961	0.6
91.05492	0.6
93.07043	0.7
95.08601	0.6
97.02898	0.8
97.06540	0.8
98.97591	0.3
105.07047	0.6
107.08634	0.6
109.06570	0.3
109.10193	0.3
119.08591	0.7
121.10183	0.4
131.00198	0.3
137.06004	0.6
147.04453	0.5
147.11682	0.4
149.05969	0.5
153.00423	0.3
153.01865	0.5
167.07010	0.4
180.50174	0.4
184.07401	0.5
185.04248	1.2
201.03769	0.7
205.87991	0.3
219.30751	0.3
231.10846	0.5
248.11876	0.3
259.08047	1.3
275.07526	0.5
331.09985	1.5
345.11499	0.6
347.09561	2.3
351.20822	0.5
359.13522	0.5
363.09048	1.1
373.14731	0.5
408.27594	0.4
421.12894	0.9
425.25082	2.6
431.18848	1.9
489.23050	0.7
493.15369	1.7
507.17029	0.4
517.22516	1.8
535.20154	0.6
569.30139	0.5
587.30377	26.1
588.31110	0.7
593.24170	1.2
645.27814	0.4
679.27966	0.8
731.36279	1.1
749.35638	100.0
750.36023	3.9
769.42743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.01869	4.1
55.05273	1.1
55.05514	13.4
56.96586	0.8
57.03191	1.0
57.03443	9.1
57.07061	0.9
59.04996	2.7
61.02929	10.9
65.03934	2.3
67.05506	58.5
69.03445	4.5
69.07077	12.7
70.06580	2.0
71.04991	5.2
71.56449	1.3
72.08139	0.9
73.02919	4.9
74.22827	0.7
79.05492	22.0
81.03417	7.1
81.07060	42.7
83.04980	4.7
83.08617	12.9
84.04529	0.7
85.02440	0.9
85.02912	13.4
85.06551	3.7
86.09705	1.4
87.04468	1.2
89.51566	0.7
91.03474	1.0
91.03968	8.7
91.04904	0.9
91.05478	20.7
93.07047	26.3
95.04963	5.9
95.08609	18.8
97.02905	7.6
97.06528	9.5
97.10158	7.2
98.97565	1.5
99.04461	1.6
99.08068	2.7
103.03932	1.9
103.05481	0.8
105.07037	17.5
107.04964	5.2
107.08596	27.4
109.02879	1.8
109.06526	5.2
109.10155	48.5
111.08096	4.8
115.03904	1.5
117.07017	7.2
119.08584	15.6
121.06489	2.6
121.10133	10.2
123.04383	1.1
123.08064	2.3
123.11690	3.9
125.09649	6.2
127.03941	3.7
129.07007	2.5
131.04904	0.9
131.08560	10.1
133.06514	1.0
133.10126	17.0
135.08052	3.8
135.11691	8.5
137.05997	2.7
137.09613	6.1
139.11197	1.3
142.07669	0.7
143.08559	1.4
145.04979	2.9
145.06465	0.9
145.10129	10.6
147.07994	1.5
147.11703	10.0
149.09608	6.9
149.13268	11.5
151.11128	2.0
155.08545	1.4
155.10661	6.4
157.10146	2.9
159.11705	12.9
161.09586	1.2
161.13261	3.7
163.06035	4.5
163.11163	4.5
165.12833	1.2
169.10112	2.1
171.10304	1.4
171.11685	2.4
173.09511	1.2
173.11761	24.0
173.13242	3.0
175.11162	1.1
177.12755	12.0
179.14333	5.0
181.04993	0.8
183.11691	1.6
187.11113	1.3
187.14847	1.4
189.11316	3.4
189.12723	1.2
191.14334	2.1
193.12221	1.4
195.13805	4.3
197.13286	1.7
213.14761	1.0
217.15877	0.8
219.13759	1.0
227.12737	3.3
229.14357	100.0
230.14745	1.0
239.17915	3.4
245.13907	2.2
247.15448	2.4
247.20531	1.7
251.16479	3.2
257.18979	9.8
267.15814	1.8
269.17477	72.0
270.17899	1.1
273.03387	0.8
275.20074	27.3
293.20984	3.0
302.17651	0.8
309.20728	1.2
331.22519	1.7
349.23734	82.4
350.24139	2.1
355.17392	0.7
365.92365	0.7
367.24799	50.1
373.18683	3.9
377.19476	1.3
383.16605	1.0
391.19623	2.7
391.24597	1.0
395.20566	1.0
413.21631	3.4
431.22855	2.9
444.28387	0.8
475.26889	2.8
493.28027	3.2
511.28879	3.2
518.30829	1.3
529.29706	1.7
564.31793	1.3
582.31934	1.0
778.40442	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01861	5.3
55.05515	15.5
55.56433	1.1
55.89445	1.2
57.03436	9.0
59.05002	1.6
61.02925	11.3
67.05507	61.2
69.03424	4.9
69.07069	18.3
70.06604	2.0
71.04979	4.6
71.08614	1.3
71.56729	1.4
73.02898	4.9
73.03262	1.3
79.05069	2.2
79.05497	29.1
81.03425	9.8
81.07059	51.3
83.04980	4.9
83.08619	17.7
84.08143	1.4
85.02431	1.6
85.02906	18.5
85.06528	4.0
87.04504	1.8
91.03959	10.7
91.05481	24.3
93.07045	36.6
95.04974	7.8
95.08611	24.5
97.02910	9.4
97.06532	14.4
97.10190	7.7
98.97572	2.3
99.08052	4.2
103.03939	3.1
105.07030	17.2
107.04958	5.5
107.08592	30.2
109.02879	1.3
109.06522	8.1
109.10159	46.1
111.08099	7.8
112.99133	1.4
117.07016	8.5
119.08587	17.9
121.06474	3.7
121.10154	15.3
123.08049	4.5
123.11672	5.0
125.09618	7.8
127.03898	6.2
129.06990	3.2
131.08553	13.2
133.06477	2.2
133.10133	20.9
135.08029	4.5
135.11699	10.6
137.05971	2.4
137.09602	5.1
139.11151	1.8
143.08566	3.7
145.04959	4.8
145.06450	1.6
145.10133	14.6
147.08017	1.9
147.11702	11.7
149.09607	9.0
149.13269	18.0
151.11137	4.0
153.09167	1.4
155.10663	5.9
157.10133	3.1
159.11710	19.5
161.13219	5.1
163.06056	8.1
163.11171	6.7
167.14308	1.6
169.10118	2.2
171.10181	1.2
171.11691	3.8
173.11734	16.1
173.13274	4.9
177.12729	17.0
179.14291	6.8
183.11668	2.1
185.13260	1.8
187.11145	1.2
189.11241	3.4
191.14302	2.1
193.12215	1.8
195.13800	6.3
216.68806	1.4
227.12793	4.2
229.14360	84.3
233.15273	2.0
239.17917	3.8
245.13904	1.6
247.15404	1.8
247.20471	1.9
251.16409	3.4
257.19061	10.9
267.15842	1.7
269.17487	100.0
270.17612	2.0
275.20081	34.1
293.21118	3.3
309.20398	1.7
349.23746	99.6
367.24802	62.3
367.28595	0.9
373.18759	1.8
391.19534	2.0
413.21698	3.7
431.22720	2.0
475.26834	3.7
493.27884	3.2
503.24915	1.2
511.28656	3.4
511.62579	1.3
518.30707	1.3
529.30432	3.4
595.46320	1.5
745.31158	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48697	3.2
82.99848	1.0
85.02914	0.9
89.85055	0.5
97.02876	1.2
98.97583	0.6
101.00880	5.5
109.02882	0.7
110.97556	0.5
113.00893	1.7
118.97447	0.8
119.01145	0.8
119.01933	9.3
127.02386	1.3
128.98634	0.5
129.99507	0.5
131.01920	3.9
136.98477	2.7
137.02939	0.7
139.02394	1.2
143.01898	16.6
143.03021	0.8
145.03452	6.7
147.01407	0.8
147.92502	0.5
155.01898	14.8
157.03484	5.9
160.98506	1.4
161.02971	13.5
163.04520	0.6
166.99634	1.1
167.01918	9.6
169.03436	2.4
171.05074	2.1
173.01418	0.8
173.02960	17.4
175.04547	0.8
178.99524	1.2
179.01874	4.2
181.03426	0.7
185.02959	34.0
186.03195	0.9
187.04527	2.2
190.99637	0.6
191.04024	0.9
197.00642	1.6
197.02963	10.5
201.00940	0.8
203.03996	7.1
209.02936	1.6
215.04053	6.7
221.00650	1.9
221.05077	2.4
227.04018	8.5
233.05011	0.7
239.01738	7.2
239.04007	1.2
245.05077	100.0
246.05226	1.7
257.02686	5.7
257.05118	6.1
263.06149	10.6
275.06134	12.2
286.07867	0.6
293.07147	2.1
305.07175	11.6
319.49390	0.6
335.08185	3.8
347.07977	0.6
365.09317	29.4
366.09872	0.9
383.10260	0.8
388.95358	0.6
401.06976	37.5
402.07175	1.5
419.08035	1.1
425.11423	32.6
426.11548	1.2
437.11392	1.8
455.12558	4.6
485.13416	4.2
527.14441	1.4
545.15680	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90106	0.5
56.96568	0.6
58.21836	0.4
69.03419	0.8
70.46246	1.3
73.02898	0.5
81.03401	0.5
82.99832	0.9
85.02901	1.4
94.06564	0.6
94.99818	0.8
97.02884	1.5
98.97599	3.0
101.00890	6.6
107.78495	0.5
109.02838	0.5
110.97567	1.1
111.81772	0.5
112.99156	0.9
113.00878	1.2
116.98598	1.1
118.97456	0.5
119.01140	0.8
119.01927	8.8
127.02415	2.3
127.03884	1.1
128.98636	0.8
131.00131	0.8
131.01883	2.8
133.03499	0.8
134.09386	0.4
136.98497	2.6
138.05519	1.4
139.02393	1.6
143.00197	0.7
143.01904	16.8
145.03462	5.3
147.01321	0.9
149.01129	0.6
153.03893	0.7
153.43704	0.5
155.01895	16.5
156.03560	0.6
157.03510	5.0
158.03311	0.6
158.99699	1.1
161.02959	12.9
166.99625	1.1
167.01895	11.9
169.03497	2.4
170.99626	0.8
171.04979	1.4
173.02969	16.2
174.03044	0.5
175.04532	1.5
177.00722	0.6
178.99532	1.1
179.01872	3.2
181.03517	0.9
185.02965	35.2
186.03136	0.7
187.04523	3.2
189.00626	1.3
191.02141	0.7
191.03979	0.8
193.03638	0.5
197.00664	2.7
197.02962	12.7
199.04402	0.6
201.00781	1.0
203.03995	7.3
209.02994	1.1
215.03996	6.8
219.01794	2.2
221.00620	1.5
221.02901	0.8
221.05151	1.8
227.03995	9.4
228.05768	0.7
228.55800	0.8
229.05795	0.7
237.02890	1.0
239.01698	6.4
239.03996	1.1
245.05084	100.0
246.05238	1.9
257.02707	4.5
257.05115	5.8
261.02975	0.9
263.06131	11.3
275.06125	11.7
286.07648	0.6
287.06073	0.6
293.07281	2.3
305.07190	13.0
317.07254	0.7
335.08301	5.1
347.08282	1.3
365.09299	33.1
366.09644	0.7
383.10400	0.9
400.07501	1.8
400.61917	0.8
401.07001	39.9
402.07135	1.5
419.08224	1.8
425.11420	35.7
426.11429	0.8
437.11526	2.2
455.12500	4.8
485.13611	3.9
527.14429	1.4
545.15405	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.05518	13.5
57.03436	8.8
57.07074	1.5
61.02925	3.4
65.03938	2.4
65.87973	1.6
67.05507	47.3
69.07077	16.3
71.04967	4.0
71.57299	1.9
79.05499	27.9
81.03398	1.9
81.07056	74.9
83.04993	5.2
83.08628	8.1
85.02882	2.2
85.06534	2.7
86.09705	2.0
91.05486	23.6
93.07050	28.5
95.04977	1.6
95.08609	38.5
97.02855	1.8
97.06541	5.5
97.10152	2.1
99.08099	1.8
105.07037	25.6
107.08598	20.1
109.06533	5.2
109.10181	11.1
111.08121	3.0
117.07061	2.8
117.49058	1.6
119.08581	20.3
121.10133	21.2
123.08059	1.8
123.11704	17.1
125.09615	1.9
131.08583	7.0
133.10138	6.3
135.11693	7.4
137.09579	1.8
137.13144	1.9
145.10152	6.1
147.10513	2.8
147.11679	38.4
149.13306	5.7
157.10133	2.4
159.11723	4.1
161.13304	1.7
163.79936	1.7
165.12758	13.7
184.07341	6.1
187.14806	2.7
228.51704	2.1
229.14449	3.6
235.37607	1.6
243.21094	3.5
261.22168	9.2
267.15939	46.9
279.23322	1.6
285.16977	51.0
317.24710	2.2
335.25812	100.0
336.26151	3.0
353.26917	2.1
402.85635	1.6
527.37097	2.9
545.38373	50.0
546.39246	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	738.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83176	0.1
56.05029	0.6
57.07077	0.2
58.06374	0.2
58.06621	0.4
60.08165	5.8
66.56349	0.2
67.05502	0.2
69.88707	0.7
71.07372	2.9
81.03427	0.4
81.07049	0.4
83.08610	0.2
84.59174	0.2
86.09707	28.1
91.05463	0.2
95.04942	0.2
95.08632	0.2
98.20723	0.1
98.98466	2.6
100.89422	0.2
100.90253	0.1
104.10744	2.1
112.48804	0.1
121.10134	0.1
123.53995	0.2
125.00005	19.8
137.66071	0.1
143.01102	0.2
153.70517	0.1
168.24107	0.1
173.13417	0.1
184.07341	100.0
185.07726	0.7
193.12100	0.1
204.07802	0.1
226.71193	0.1
267.15802	0.3
313.27206	0.4
335.42307	0.2
337.39978	0.1
403.87619	0.1
505.39020	0.3
571.57385	0.2
597.47070	0.2
688.45453	10.6
689.45013	0.5
738.34851	0.3
738.53839	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27578	3.2
53.03947	9.9
55.01866	10.8
55.05515	37.6
57.03433	11.5
57.07084	3.6
59.46791	2.8
61.02929	24.3
65.03935	4.3
67.05171	5.3
67.05506	58.0
69.03429	16.5
69.07072	28.0
71.05011	14.6
71.56989	4.4
73.02910	11.0
79.05077	3.2
79.05499	52.1
81.03407	18.4
81.07059	57.4
83.04982	11.2
83.08627	17.9
85.02914	23.3
85.06526	4.6
86.09699	5.0
87.04491	4.5
91.03947	14.7
91.05482	54.4
93.07044	48.0
95.04988	9.4
95.08613	46.0
97.02882	18.9
97.06544	14.8
97.10154	16.8
99.08098	5.6
101.02402	3.1
105.04473	3.2
105.07037	46.2
107.04967	7.7
107.08605	27.6
108.08915	3.5
109.02866	4.6
109.06505	5.0
109.10152	22.7
111.08062	6.3
115.05428	4.2
117.07014	22.9
119.08575	32.9
121.06487	6.6
121.10144	21.5
123.08063	7.1
123.11710	5.3
125.09665	14.5
125.10487	2.8
127.03925	4.9
128.06232	8.8
129.06976	18.9
130.07802	5.3
131.08574	36.5
133.06569	3.3
133.10143	24.8
135.08044	4.5
135.11662	9.9
137.09697	4.7
141.01009	2.9
141.06978	8.0
143.08569	26.3
144.09326	3.5
145.10121	37.9
147.08095	5.7
147.11708	14.5
149.09657	7.1
149.13239	3.4
154.07845	3.1
155.08583	14.7
155.09727	2.6
157.10124	22.6
159.08128	4.2
159.11723	22.6
161.09650	5.1
161.13264	11.1
163.11220	9.0
165.12842	3.8
167.08559	8.3
169.10123	18.1
171.11722	21.3
173.13284	11.4
175.11183	4.0
175.14751	4.7
177.12798	3.0
179.08536	5.6
181.10127	12.7
183.11664	15.3
184.07401	7.4
185.09741	3.7
185.13261	9.5
187.11255	3.3
187.14851	5.2
189.11243	7.9
193.12228	3.8
194.10706	2.9
195.11720	8.6
197.09804	2.6
197.13245	10.0
199.11290	3.7
199.14832	9.1
205.10106	2.8
207.11703	4.7
207.13615	3.1
209.13318	5.4
211.14929	4.9
220.84700	3.2
223.14824	5.4
227.12709	14.1
233.13228	3.2
235.14754	3.5
241.19482	4.4
245.18964	4.4
258.19473	2.9
259.20676	3.5
263.17905	3.2
267.15866	3.6
273.18622	4.3
275.20126	5.1
283.20538	4.9
285.10257	4.0
285.22070	5.4
291.19681	5.8
297.22122	2.9
299.23727	10.5
301.20044	5.8
302.20480	4.7
337.21271	3.9
398.70801	5.6
421.26105	4.1
433.31000	18.6
435.27655	4.5
451.32114	12.8
461.28662	3.5
469.32877	9.3
499.33603	3.4
507.34509	9.4
517.35437	23.6
525.35767	81.3
525.43683	2.7
539.37250	3.8
543.36890	100.0
544.36932	4.5
557.38513	25.8
575.39642	31.3
679.39807	4.8
687.41479	4.9
705.40680	4.3
737.33881	3.1
737.42499	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	737.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01868	3.3
55.05514	20.4
56.96549	2.0
57.03441	3.5
57.07080	12.5
58.44569	1.4
61.02922	4.2
63.05556	1.6
67.05505	33.7
69.03430	19.1
69.07068	38.2
71.04992	3.7
71.08620	3.6
71.56767	1.7
73.02909	3.7
79.05493	19.3
81.03417	15.3
81.07057	100.0
83.01329	1.9
83.08626	20.8
85.02430	3.0
85.02905	34.3
85.06537	8.4
85.10186	2.1
86.09723	1.6
87.00829	14.8
91.03950	2.8
91.05485	10.5
93.07046	35.1
95.04962	5.5
95.08605	78.9
97.02904	18.0
97.06524	5.8
97.10176	16.1
98.69300	1.6
98.97613	1.9
99.04462	5.6
99.08096	6.6
105.01879	18.0
105.07037	16.3
107.04951	2.1
107.08594	32.5
109.02879	15.2
109.06538	3.2
109.10157	46.2
111.08070	3.7
111.11729	11.3
115.03938	1.7
117.01852	2.5
117.06978	1.7
119.08579	14.6
121.10139	25.8
123.08041	3.2
123.11711	24.0
125.09640	2.3
125.13258	2.4
127.03924	25.3
127.11214	3.0
131.08554	3.0
133.10117	11.3
135.11690	18.5
137.06013	1.9
137.09634	5.1
137.13263	13.6
139.11188	2.2
145.04964	8.7
145.10094	3.5
147.11725	10.3
149.01231	2.6
149.13261	29.8
151.14803	5.5
156.99474	1.7
159.02927	4.2
159.07970	1.7
159.11674	3.2
161.13239	6.4
161.29619	1.4
163.14825	18.8
165.12764	2.8
165.16347	3.4
173.04500	3.2
173.13170	1.8
175.14847	4.4
177.05345	1.7
177.16324	8.2
179.17955	3.2
189.16370	2.9
191.17924	4.3
203.18024	2.4
211.09923	2.7
217.19487	3.0
231.04973	8.0
247.24307	2.9
249.06049	2.8
250.09671	4.2
252.09166	1.9
253.09822	4.6
261.25732	3.5
265.25305	2.3
266.10516	1.5
273.25760	16.8
279.26846	12.3
281.17377	3.3
291.26804	27.7
295.10846	5.7
296.11414	4.0
297.27786	3.6
309.27853	23.7
313.11719	3.2
327.28836	3.3
373.15164	8.1
373.65347	12.6
374.15555	5.3
383.66455	3.5
399.28839	2.9
417.29962	3.3
436.18607	2.3
452.17999	2.6
480.20755	1.8
503.29953	4.0
521.31049	3.3
539.32642	1.8
575.24988	4.5
673.32593	2.0
737.38495	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	734.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.8
55.05788	0.3
59.57630	0.2
61.02912	0.2
67.05494	0.5
69.07060	0.6
69.09380	0.2
70.06584	1.0
71.56375	0.3
81.03409	0.2
81.07054	0.2
82.06574	1.8
83.04980	0.4
83.08619	7.1
84.08140	0.6
85.02894	0.4
85.06538	0.5
85.99994	0.2
91.05485	0.3
93.07010	0.3
96.08168	0.2
97.06527	1.3
98.09689	0.9
98.97553	0.2
100.07611	2.4
100.11255	43.6
101.11553	0.4
107.04941	0.2
109.06535	0.2
110.06055	1.5
111.04442	3.8
112.07608	1.2
112.11254	0.6
115.66804	0.2
117.13910	0.7
126.09134	1.0
127.08691	1.5
128.07086	2.9
137.05966	1.2
139.08661	2.5
140.07086	1.2
147.03178	0.2
147.11728	0.5
149.13261	0.2
158.99631	0.3
164.14346	0.4
166.15935	0.4
175.11125	0.2
182.15402	14.5
183.15941	0.2
192.13857	0.5
209.16486	20.0
210.14891	17.0
211.15240	0.3
226.19136	6.5
227.17516	1.3
228.15897	1.5
233.11711	0.5
234.12079	0.2
250.14365	0.5
264.15976	0.5
308.23688	0.2
308.27118	0.6
326.27975	3.5
333.11746	0.2
335.24463	0.6
336.22766	4.1
343.30591	0.4
347.13223	0.2
417.32230	0.6
435.33286	9.6
436.33636	0.3
453.34351	100.0
454.34631	3.3
491.43567	0.2
709.89618	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.3
55.01871	20.3
55.05269	2.0
55.05514	33.0
57.03439	13.7
61.02916	7.3
65.03933	6.0
67.05504	83.1
69.03431	17.4
69.07066	20.9
69.36695	13.4
71.04985	7.5
73.02914	4.4
77.03918	2.0
79.05493	100.0
81.03417	32.3
81.07057	82.9
83.04977	22.3
83.08627	11.6
85.02904	9.8
85.06531	5.9
91.03963	4.0
91.05478	82.2
93.07042	90.5
95.04968	23.0
95.08614	44.4
97.02907	9.4
97.06531	24.4
97.10167	12.9
99.04456	3.6
103.05443	2.0
105.04516	3.3
105.07027	68.1
107.04952	18.7
107.08586	38.3
109.02870	4.3
109.06514	12.7
109.10148	15.0
111.04416	3.0
111.08071	5.9
113.09522	1.9
115.05450	2.7
115.30198	1.7
117.07003	24.0
119.08575	49.4
121.06528	8.0
121.10135	15.7
123.08096	9.2
123.11688	3.8
125.09641	9.9
127.03905	8.1
128.06198	5.0
129.05508	2.2
129.06998	22.1
130.07890	2.7
131.04922	2.1
131.08549	23.1
133.06499	4.4
133.10127	33.9
135.08067	5.3
135.11732	9.8
137.05988	2.9
137.09627	3.7
141.07013	4.8
142.07779	2.2
143.08574	18.0
145.06474	4.2
145.10120	26.7
147.08008	4.8
147.11687	42.0
149.09613	16.9
149.13260	5.7
151.11145	5.7
155.08591	3.5
157.10143	7.1
159.08018	2.1
159.11725	15.0
161.09590	6.3
161.13249	13.9
163.11148	9.0
165.09108	1.8
169.10150	5.4
171.11684	29.8
173.04414	8.2
173.13271	7.4
175.11221	2.5
175.14806	1.8
177.12718	4.6
179.14250	2.6
183.11647	3.3
185.13245	3.9
187.11200	1.8
187.14787	1.9
189.11171	6.0
189.12775	12.2
191.14326	2.3
194.24570	1.7
195.11757	2.1
197.09705	1.7
197.13252	3.3
199.14873	4.1
201.12756	2.2
207.13802	27.8
215.14357	1.8
217.15953	2.3
227.12759	26.2
229.14236	2.4
229.19446	3.0
239.17993	4.0
247.20572	3.1
257.18970	10.5
263.16394	2.5
264.07083	1.5
269.17511	2.3
275.20071	51.5
281.17462	74.8
287.16339	2.7
291.19452	2.5
293.21014	3.7
331.22592	3.1
341.21234	1.9
349.23682	32.6
367.25018	3.5
377.23178	6.3
413.22061	2.0
419.24469	2.5
425.21823	3.4
434.39426	1.7
435.27362	4.1
451.26889	5.6
459.31116	4.6
475.30649	32.9
497.32523	2.5
527.37158	3.1
537.35571	3.0
555.36816	67.4
556.36969	3.2
573.37793	14.2
619.34680	9.4
699.40692	2.1
717.41315	5.7
735.43414	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	731.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83996	0.4
56.96567	1.8
61.02924	0.5
67.05512	0.9
71.56425	0.6
79.05497	1.1
81.03432	0.8
81.07053	0.8
85.02911	0.5
91.03973	0.5
91.05473	0.7
93.07068	0.5
95.08614	0.5
97.06527	0.5
98.97588	3.7
105.07019	0.4
107.08593	0.6
109.10175	0.4
110.97571	1.1
112.99170	1.4
116.87167	0.4
116.98661	1.5
119.08583	0.6
121.10201	0.4
128.98637	0.7
131.00182	2.8
137.06035	0.4
140.98643	0.4
143.00201	0.7
149.01234	2.9
149.13272	0.5
152.20660	0.4
158.99728	1.2
163.11159	0.4
167.02361	1.0
170.99712	1.5
173.01312	0.5
177.00815	0.8
180.58224	0.5
184.07355	0.6
185.01332	0.4
189.00751	1.7
191.02277	0.7
203.02377	0.5
217.04007	0.4
219.01958	0.7
233.03412	0.8
237.02928	0.6
261.02960	0.6
279.03867	0.9
293.05469	2.7
309.04636	0.4
311.06497	1.2
315.16412	1.0
321.04962	2.0
333.17462	1.6
351.18445	0.6
431.18613	0.4
437.09552	1.0
455.10757	3.6
555.24872	0.8
569.29431	2.8
683.00623	0.4
731.32660	100.0
732.33148	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	728.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18496	1.0
53.03934	3.0
55.01859	2.5
55.05266	1.4
55.05510	16.4
56.96549	1.9
57.03430	10.2
57.07079	3.1
61.02930	14.6
67.05505	37.4
69.03415	8.3
69.06722	1.3
69.07066	14.4
71.04976	3.8
71.08633	17.5
71.57014	2.4
73.02898	4.1
79.05491	23.7
81.03408	8.2
81.07059	41.8
82.91363	1.0
83.04978	5.5
83.08617	12.5
85.02903	16.6
85.06537	2.8
86.09709	1.6
91.03946	8.6
91.05487	15.3
93.07047	28.9
95.04978	6.4
95.08616	17.8
97.02896	11.4
97.06544	8.1
97.10176	10.3
98.97589	2.1
99.04448	1.8
99.08086	14.7
102.09727	1.1
103.04000	1.6
105.07028	12.6
107.04948	2.3
107.08590	17.6
109.02891	2.3
109.06527	2.1
109.10152	11.0
109.81780	1.0
111.08080	3.7
113.06027	1.3
117.06996	7.7
119.08571	9.2
121.06505	1.3
121.10133	10.2
123.04430	1.5
123.08053	2.1
123.11668	3.0
125.09646	11.0
127.03915	3.9
129.06946	2.5
131.00159	1.3
131.08557	5.4
133.10136	8.4
135.08025	3.0
135.11682	8.7
137.05928	1.1
137.09601	2.1
143.08560	1.5
145.04965	2.3
145.10143	4.3
147.11708	5.7
149.01233	2.6
149.13261	9.5
151.11189	9.9
151.23462	1.1
153.12846	1.2
156.03651	1.2
157.10092	1.4
159.11694	9.7
161.13260	7.7
163.06023	2.7
163.11162	6.1
163.14792	1.8
165.12766	2.1
171.11754	2.2
173.11748	6.2
173.13187	1.5
175.14844	2.3
177.00603	1.6
177.12720	11.5
179.14351	7.2
184.07326	1.7
185.13156	1.5
189.11191	5.0
193.12059	2.0
195.13768	3.0
211.09795	1.4
227.12830	8.0
229.14352	7.7
231.21071	1.6
241.19531	3.5
244.09569	1.3
245.13855	3.6
251.16386	3.7
253.18011	1.2
259.20435	5.5
269.10660	1.5
269.17484	55.9
277.21594	20.1
292.12485	2.3
293.13397	5.5
293.16211	1.2
297.09860	1.3
303.61035	1.3
325.11993	1.6
351.25293	100.0
352.25607	2.0
369.26413	9.2
373.15121	6.5
373.65298	1.4
375.16571	4.6
389.17969	2.3
395.20438	1.3
413.21552	3.8
448.19983	1.3
468.18729	2.4
495.29645	1.4
502.23050	2.1
513.30371	4.1
529.41321	1.3
554.95569	1.5
567.27264	4.1
689.87610	1.3
728.34985	24.8
729.33044	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18496	1.0
53.03934	3.0
55.01859	2.5
55.05266	1.4
55.05510	16.4
56.96549	1.9
57.03430	10.2
57.07079	3.1
61.02930	14.6
67.05505	37.4
69.03415	8.3
69.06722	1.3
69.07066	14.4
71.04976	3.8
71.08633	17.5
71.57014	2.4
73.02898	4.1
79.05491	23.7
81.03408	8.2
81.07059	41.8
82.91363	1.0
83.04978	5.5
83.08617	12.5
85.02903	16.6
85.06537	2.8
86.09709	1.6
91.03946	8.6
91.05487	15.3
93.07047	28.9
95.04978	6.4
95.08616	17.8
97.02896	11.4
97.06544	8.1
97.10176	10.3
98.97589	2.1
99.04448	1.8
99.08086	14.7
102.09727	1.1
103.04000	1.6
105.07028	12.6
107.04948	2.3
107.08590	17.6
109.02891	2.3
109.06527	2.1
109.10152	11.0
109.81780	1.0
111.08080	3.7
113.06027	1.3
117.06996	7.7
119.08571	9.2
121.06505	1.3
121.10133	10.2
123.04430	1.5
123.08053	2.1
123.11668	3.0
125.09646	11.0
127.03915	3.9
129.06946	2.5
131.00159	1.3
131.08557	5.4
133.10136	8.4
135.08025	3.0
135.11682	8.7
137.05928	1.1
137.09601	2.1
143.08560	1.5
145.04965	2.3
145.10143	4.3
147.11708	5.7
149.01233	2.6
149.13261	9.5
151.11189	9.9
151.23462	1.1
153.12846	1.2
156.03651	1.2
157.10092	1.4
159.11694	9.7
161.13260	7.7
163.06023	2.7
163.11162	6.1
163.14792	1.8
165.12766	2.1
171.11754	2.2
173.11748	6.2
173.13187	1.5
175.14844	2.3
177.00603	1.6
177.12720	11.5
179.14351	7.2
184.07326	1.7
185.13156	1.5
189.11191	5.0
193.12059	2.0
195.13768	3.0
211.09795	1.4
227.12830	8.0
229.14352	7.7
231.21071	1.6
241.19531	3.5
244.09569	1.3
245.13855	3.6
251.16386	3.7
253.18011	1.2
259.20435	5.5
269.10660	1.5
269.17484	55.9
277.21594	20.1
292.12485	2.3
293.13397	5.5
293.16211	1.2
297.09860	1.3
303.61035	1.3
325.11993	1.6
351.25293	100.0
352.25607	2.0
369.26413	9.2
373.15121	6.5
373.65298	1.4
375.16571	4.6
389.17969	2.3
395.20438	1.3
413.21552	3.8
448.19983	1.3
468.18729	2.4
495.29645	1.4
502.23050	2.1
513.30371	4.1
529.41321	1.3
554.95569	1.5
567.27264	4.1
689.87610	1.3
728.34985	24.8
729.33044	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18496	1.0
53.03934	3.0
55.01859	2.5
55.05266	1.4
55.05510	16.4
56.96549	1.9
57.03430	10.2
57.07079	3.1
61.02930	14.6
67.05505	37.4
69.03415	8.3
69.06722	1.3
69.07066	14.4
71.04976	3.8
71.08633	17.5
71.57014	2.4
73.02898	4.1
79.05491	23.7
81.03408	8.2
81.07059	41.8
82.91363	1.0
83.04978	5.5
83.08617	12.5
85.02903	16.6
85.06537	2.8
86.09709	1.6
91.03946	8.6
91.05487	15.3
93.07047	28.9
95.04978	6.4
95.08616	17.8
97.02896	11.4
97.06544	8.1
97.10176	10.3
98.97589	2.1
99.04448	1.8
99.08086	14.7
102.09727	1.1
103.04000	1.6
105.07028	12.6
107.04948	2.3
107.08590	17.6
109.02891	2.3
109.06527	2.1
109.10152	11.0
109.81780	1.0
111.08080	3.7
113.06027	1.3
117.06996	7.7
119.08571	9.2
121.06505	1.3
121.10133	10.2
123.04430	1.5
123.08053	2.1
123.11668	3.0
125.09646	11.0
127.03915	3.9
129.06946	2.5
131.00159	1.3
131.08557	5.4
133.10136	8.4
135.08025	3.0
135.11682	8.7
137.05928	1.1
137.09601	2.1
143.08560	1.5
145.04965	2.3
145.10143	4.3
147.11708	5.7
149.01233	2.6
149.13261	9.5
151.11189	9.9
151.23462	1.1
153.12846	1.2
156.03651	1.2
157.10092	1.4
159.11694	9.7
161.13260	7.7
163.06023	2.7
163.11162	6.1
163.14792	1.8
165.12766	2.1
171.11754	2.2
173.11748	6.2
173.13187	1.5
175.14844	2.3
177.00603	1.6
177.12720	11.5
179.14351	7.2
184.07326	1.7
185.13156	1.5
189.11191	5.0
193.12059	2.0
195.13768	3.0
211.09795	1.4
227.12830	8.0
229.14352	7.7
231.21071	1.6
241.19531	3.5
244.09569	1.3
245.13855	3.6
251.16386	3.7
253.18011	1.2
259.20435	5.5
269.10660	1.5
269.17484	55.9
277.21594	20.1
292.12485	2.3
293.13397	5.5
293.16211	1.2
297.09860	1.3
303.61035	1.3
325.11993	1.6
351.25293	100.0
352.25607	2.0
369.26413	9.2
373.15121	6.5
373.65298	1.4
375.16571	4.6
389.17969	2.3
395.20438	1.3
413.21552	3.8
448.19983	1.3
468.18729	2.4
495.29645	1.4
502.23050	2.1
513.30371	4.1
529.41321	1.3
554.95569	1.5
567.27264	4.1
689.87610	1.3
728.34985	24.8
729.33044	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.5
55.01878	4.4
55.05511	9.0
57.03437	5.2
57.07070	5.1
58.99578	3.3
60.54300	1.3
61.02933	8.4
65.03954	2.5
67.05506	18.2
68.99807	2.1
69.03432	24.6
69.07069	15.8
69.41148	3.1
69.41570	5.9
70.06593	1.5
71.01397	1.1
71.04995	5.4
73.02918	7.5
76.02245	4.0
79.05494	12.6
80.12981	1.4
81.03422	28.4
81.07056	43.7
83.05002	3.1
83.08620	7.1
84.08161	1.4
85.02908	37.1
85.06544	13.5
86.99096	1.7
87.00841	9.7
88.04007	4.5
91.03941	5.8
91.05491	11.7
93.07043	19.9
95.04971	100.0
95.08605	28.9
97.02881	16.4
97.06535	5.8
97.10188	4.1
98.21471	2.7
98.97605	2.6
99.04450	6.0
99.08055	6.1
100.02217	3.7
101.02389	1.4
105.00127	2.0
105.01874	6.7
105.07030	20.4
107.04980	4.1
107.08605	19.7
107.09293	1.5
109.02888	16.8
109.06534	9.7
109.10159	18.5
109.10849	1.9
110.07000	1.2
111.08108	4.0
111.11749	3.5
113.09653	2.3
115.05540	1.6
117.07050	5.6
119.08570	15.1
121.06527	4.1
121.10155	10.8
122.02728	31.5
122.03565	1.9
123.04425	1.3
123.08109	3.2
123.11688	10.5
125.09633	1.7
127.03913	22.7
127.04787	1.3
129.01878	3.4
129.07002	2.6
131.08582	11.6
133.06523	2.2
133.10147	18.0
135.04433	1.3
135.08067	6.8
135.11691	10.6
137.06036	5.0
137.09654	3.7
137.13286	2.3
139.11166	2.2
143.08557	6.6
145.04962	6.5
145.10118	16.3
146.02776	2.1
146.06017	2.0
147.06845	6.2
147.07983	2.0
147.11696	10.6
149.09647	4.0
149.13278	9.3
155.08621	1.4
157.10103	8.0
159.02963	4.6
159.08215	1.8
159.11671	12.8
161.09651	1.6
161.13255	7.9
163.11220	7.6
163.14908	4.7
164.03940	1.5
165.12782	1.2
167.08842	1.4
171.11771	4.2
173.13242	14.3
174.09128	1.6
175.06267	1.4
175.09868	2.2
175.11282	2.4
175.14775	7.1
176.07104	2.6
176.10793	4.9
177.07950	4.5
177.12827	5.1
179.14423	1.5
185.11821	1.4
185.13315	5.7
187.14807	9.0
188.10802	2.2
189.12843	1.5
189.16481	2.9
190.08731	1.7
191.14342	2.7
199.14774	7.1
201.09314	1.6
201.16431	3.0
202.12341	3.7
203.18057	1.3
204.10208	8.6
212.03769	2.9
213.16420	8.6
214.08730	1.8
216.10298	1.5
227.17926	1.9
229.19464	2.0
231.05064	4.0
231.17482	2.1
242.11795	1.6
243.21191	5.1
261.22086	8.8
269.22644	8.7
287.23669	34.3
303.23383	1.8
305.24765	64.7
312.16061	1.3
326.21243	3.3
334.06238	1.6
347.25714	13.4
354.20578	6.5
370.07889	10.7
370.23895	2.7
372.21893	3.4
398.23328	4.4
409.15680	1.6
416.24332	3.4
417.21579	1.8
426.26733	83.8
427.27420	4.4
444.27774	10.9
446.25394	39.2
462.28952	5.4
472.27225	6.4
490.28000	34.2
499.26987	1.6
504.29575	5.0
516.29468	2.4
517.28168	4.0
521.29602	1.7
522.30597	6.8
534.30676	1.8
535.29120	2.6
548.29767	1.5
553.30115	2.0
566.33240	4.9
588.32697	1.6
634.32190	8.6
652.33368	5.2
656.31555	1.9
666.34985	3.9
674.32025	34.0
674.43573	1.7
675.32465	1.9
678.34595	3.9
684.35748	14.2
692.33112	5.6
696.35968	3.4
710.34705	11.8
728.38544	42.0
729.38867	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02922	1.4
53.03931	6.5
55.01870	9.2
55.05514	24.6
56.96560	2.2
57.03434	22.1
57.07067	2.4
61.02650	2.7
61.02928	40.6
65.03941	3.6
66.53391	1.6
67.05507	76.1
68.05850	1.8
69.03433	19.4
69.07066	34.3
71.04989	9.0
71.08620	3.8
71.26536	2.6
73.02921	17.6
79.05493	66.1
81.03419	15.3
81.07059	87.2
82.07381	1.9
83.04984	16.9
83.08625	16.7
85.02907	57.8
85.06525	6.1
86.09696	4.0
91.03964	31.4
91.04903	2.3
91.05483	62.6
93.07047	87.6
95.04967	14.4
95.08610	39.6
97.02893	29.8
97.06544	20.1
97.10181	4.8
98.97602	2.2
99.04454	7.0
99.08096	7.3
103.03929	3.1
103.05495	2.5
104.10730	3.8
105.04546	2.6
105.07035	62.6
107.04968	8.2
107.08596	56.7
109.02885	4.3
109.06521	5.9
109.10156	20.4
110.10509	2.0
111.04450	4.1
111.08079	9.3
113.06034	2.1
113.09628	1.7
115.03947	2.8
117.07007	19.2
119.04936	1.9
119.08585	48.0
121.06502	5.9
121.10141	37.5
123.04459	1.5
123.08047	7.7
123.11697	6.1
125.00011	2.8
125.09604	5.0
127.03915	16.1
129.05432	5.9
129.07013	11.2
130.07797	1.7
131.00221	2.2
131.08574	28.3
133.06523	2.7
133.10132	42.9
135.08075	8.5
135.11693	29.7
137.06038	1.6
137.09639	4.7
139.07561	1.7
141.06998	2.2
142.07777	2.0
143.08589	10.0
145.04974	16.0
145.06096	2.1
145.10126	25.6
147.11693	30.9
149.01221	2.3
149.09645	16.0
149.13266	31.1
151.11186	7.0
153.09175	1.9
155.08542	1.9
157.10071	9.5
159.11696	33.5
161.09604	2.8
161.13249	21.7
163.06027	12.3
163.11205	6.8
163.14806	4.2
165.12744	1.9
169.10170	2.9
171.10219	3.3
171.11687	10.9
173.04448	1.7
173.09589	1.7
173.13274	13.4
175.11221	1.8
175.14818	7.0
177.09212	1.7
177.12744	13.7
179.14355	4.3
184.07382	5.9
185.13228	7.4
187.11179	2.3
189.11250	1.9
189.12761	4.0
191.14378	2.0
193.12285	3.0
193.13890	1.6
195.12059	2.5
195.13789	11.9
197.13313	3.4
199.14807	6.3
203.14441	2.3
215.10677	1.6
215.14461	2.0
215.17915	2.3
217.15875	1.6
217.19571	1.7
219.13789	3.3
225.11136	1.9
229.14281	3.7
229.19576	2.9
231.21198	2.7
239.17923	4.7
241.19531	14.0
243.12393	2.5
244.00616	1.6
250.15266	1.5
251.16446	1.8
253.14351	4.7
254.14688	3.9
255.15335	3.1
257.19022	6.9
259.18423	0.9
259.20578	39.4
269.17487	100.0
275.20065	18.2
277.21613	7.0
281.17456	3.6
291.19562	2.5
293.21136	9.1
303.15851	2.0
333.24228	7.4
335.18576	2.1
349.23758	40.4
351.25278	93.6
352.25861	2.3
365.15598	4.4
365.22949	3.9
367.24686	14.4
373.15115	6.4
375.25092	2.4
381.16479	2.7
404.19785	2.0
413.21616	2.7
441.26288	3.9
459.27402	2.7
477.28400	3.3
495.29849	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	724.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	0.6
58.06602	0.5
60.07881	0.4
60.08168	6.1
67.05503	0.4
69.07058	0.3
69.83063	0.2
71.07386	3.0
71.08642	0.3
71.56918	0.5
71.60119	0.3
81.07047	0.5
86.09711	27.3
87.10056	0.3
88.43147	0.2
91.05486	0.4
93.07041	0.4
95.08592	0.3
98.98463	2.6
104.10750	2.3
105.07046	0.4
119.08545	0.4
125.00014	18.4
157.10078	0.3
184.07352	100.0
185.07675	1.6
186.07875	0.5
231.92940	0.3
246.61549	0.3
337.07907	0.3
688.45538	9.4
724.46698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01876	5.3
55.05268	1.3
55.05511	13.1
57.03443	5.0
61.02925	7.0
67.05506	23.8
69.03433	4.4
69.06728	1.1
69.07069	14.0
71.04978	2.5
71.07795	1.8
71.08160	0.6
73.02918	2.9
79.05495	23.2
81.03424	4.2
81.07059	26.0
83.05003	3.7
83.08630	7.1
85.02901	9.7
85.06532	2.1
91.03969	4.7
91.04974	1.3
91.05482	17.0
93.06484	1.2
93.07050	20.1
95.04993	3.6
95.08599	12.5
97.02895	5.3
97.06545	9.5
97.10175	10.7
99.04435	1.7
103.05453	1.1
105.07038	17.9
107.04979	4.9
107.08598	27.5
109.02811	1.2
109.06504	2.3
109.10146	8.0
111.08052	2.3
113.09676	0.8
117.07030	6.9
119.08575	13.1
121.06517	1.7
121.10134	6.8
123.08044	1.3
123.11732	1.9
125.09634	9.6
127.03889	3.0
129.07005	2.2
131.08566	11.5
133.10130	11.2
135.08020	3.0
135.11673	5.9
137.09595	1.1
141.06990	1.2
143.08545	2.7
145.04945	2.3
145.10143	12.0
147.11710	8.7
149.09627	9.0
149.13261	2.7
151.11192	1.1
151.54065	0.7
153.09164	1.1
155.08577	0.9
155.10628	1.3
157.10129	1.9
159.08112	0.7
159.11700	9.9
161.09634	0.8
161.13255	3.2
163.06017	2.7
163.11232	4.9
165.12750	0.8
169.10135	1.0
171.10141	3.1
171.11713	3.3
173.11781	1.8
173.13254	3.6
175.11185	0.9
177.12704	3.6
179.14304	3.4
181.12228	1.3
183.11694	2.0
189.11227	4.9
197.13266	1.6
213.16440	1.2
215.17998	1.3
227.12764	8.5
229.14374	9.6
229.19577	2.6
238.36963	0.8
239.17908	3.9
245.13927	4.8
247.20575	2.0
253.17906	1.1
255.15974	3.8
257.19012	11.8
269.17480	19.1
275.20087	25.7
293.21100	1.5
309.20761	2.0
331.22580	2.2
333.29010	0.7
349.23737	100.0
350.24142	1.8
367.24780	13.2
389.18152	1.2
413.21759	1.8
438.58859	0.8
450.85260	0.8
478.78650	0.8
493.27682	1.5
511.28827	5.7
529.29816	1.0
570.54175	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01874	5.9
55.05272	0.6
55.05510	9.2
57.03193	0.5
57.03436	5.9
57.07059	1.0
59.04990	0.9
61.02932	7.5
65.03931	1.4
67.05505	26.5
69.03436	4.4
69.06731	0.7
69.07070	9.6
71.04998	4.1
72.10798	0.5
73.02923	2.9
73.06556	0.7
78.92332	0.5
79.05063	1.1
79.05489	15.6
80.55231	0.5
81.03405	5.0
81.07059	31.5
83.04980	6.6
83.08616	3.5
85.02442	0.7
85.02912	8.5
85.06542	3.3
86.09731	0.5
91.03957	5.5
91.05485	25.0
93.07040	19.0
95.04977	6.0
95.08607	9.9
97.02874	4.9
97.06519	3.9
97.10158	1.1
98.21518	1.2
99.04419	1.4
99.08137	0.7
99.50358	0.6
101.02348	0.7
101.05997	0.7
103.03935	1.3
105.04542	0.6
105.07029	22.0
107.04957	4.8
107.07867	1.0
107.08592	20.4
109.02879	1.1
109.06511	5.9
109.10158	32.1
111.04446	1.2
111.08053	2.8
113.05970	1.9
115.05506	0.8
117.07014	4.6
119.08578	6.9
121.06516	4.4
121.10144	6.5
122.49000	0.6
123.04421	1.1
123.08041	2.6
123.11694	5.6
125.00011	0.7
125.09605	1.6
127.03904	2.7
127.07531	2.0
129.05498	1.3
129.06973	2.2
131.08580	6.9
133.06499	4.1
133.10132	45.0
135.08052	4.7
135.11687	4.0
137.06007	1.3
137.09599	1.8
139.07518	1.0
143.08563	3.0
145.04961	2.2
145.06400	1.2
145.10150	4.2
147.08031	2.6
147.11636	1.9
149.09612	5.5
149.92278	0.6
151.09966	1.0
151.11191	20.0
155.08551	1.0
157.10141	1.4
159.08044	1.5
159.11684	1.1
161.09644	5.1
161.13304	1.5
163.06017	2.8
163.11171	1.2
165.09053	1.0
169.12244	3.4
171.11679	2.2
173.04424	0.7
173.09590	0.9
173.13162	0.8
175.11214	2.6
177.09123	2.8
179.10677	1.6
183.06662	0.7
184.07324	3.6
185.13303	1.4
189.12746	1.3
191.10754	0.8
193.12132	0.8
201.12666	0.8
215.12752	1.1
227.17857	1.1
229.14288	1.4
245.18971	3.4
253.14354	94.6
254.14792	1.8
255.17557	1.0
263.19986	3.4
267.15915	0.8
269.13956	3.0
271.15417	11.9
273.18506	13.3
283.15475	0.8
285.16962	3.0
291.19528	19.1
309.20514	1.1
321.24179	1.7
347.22205	8.3
365.23224	100.0
366.23581	2.8
383.24268	5.3
527.28278	2.2
710.64984	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13559	0.4
52.38703	0.4
52.84526	0.4
53.03933	1.6
55.01877	4.8
55.05510	6.0
57.03442	6.3
57.07051	0.9
61.02929	5.9
65.03922	1.3
66.84704	0.4
67.05506	26.9
68.05797	0.6
69.03430	4.0
69.06739	0.5
69.07071	7.0
69.68027	2.4
71.01337	0.5
71.05003	2.8
73.02920	2.7
79.05496	14.2
81.03429	4.8
81.07059	28.6
81.49298	0.4
83.04974	6.3
83.08622	3.1
85.02909	7.9
85.06544	2.9
86.09679	1.3
87.04426	0.4
91.03974	4.5
91.05483	25.9
91.54411	0.5
93.06490	0.9
93.07048	17.4
95.04971	5.7
95.08063	0.5
95.08610	7.6
97.02890	5.6
97.06529	3.4
97.10159	0.9
99.04430	1.6
103.03943	0.8
104.10703	0.8
105.07030	20.2
107.04962	4.6
107.08598	20.3
109.02856	0.6
109.06520	5.5
109.10159	29.1
110.10490	0.8
111.04448	1.0
111.08064	1.9
113.05988	1.9
115.03896	0.5
115.07539	0.7
117.07018	3.6
119.04922	0.6
119.08578	6.0
120.08099	1.2
121.06494	3.3
121.10131	5.1
123.04430	1.0
123.08027	1.8
123.11717	5.7
124.99989	0.8
125.09599	1.3
127.03924	2.3
127.07531	1.9
128.06210	0.8
129.05461	1.0
129.07022	2.2
130.07715	0.4
131.08578	6.4
133.06537	3.6
133.10132	38.5
135.08058	3.9
135.11725	2.9
137.05957	0.6
137.09604	1.9
139.07526	1.0
139.11098	0.5
143.08559	2.4
145.04912	1.2
145.10159	3.3
147.08035	1.6
147.11742	2.0
149.09622	5.0
151.11183	17.0
157.10056	2.0
159.08011	1.3
159.11678	1.4
161.09618	4.1
161.13200	0.8
163.06001	1.7
163.07408	0.4
163.11143	1.0
165.09113	0.6
169.12259	2.8
171.11676	1.0
173.09641	0.6
175.11198	2.2
177.09085	2.3
177.12776	0.7
179.10637	1.4
184.07358	3.3
185.13306	1.0
189.12721	1.0
193.12262	0.7
199.11258	0.7
209.11621	0.8
215.12830	2.4
227.18062	0.8
229.14313	0.9
245.18994	2.6
251.12817	0.9
253.14354	69.8
254.14795	0.9
255.17650	0.6
263.20111	2.0
267.15829	0.7
269.13818	2.5
271.15433	8.2
273.18469	8.7
279.19070	0.5
285.17130	2.4
291.19528	10.7
302.17139	0.5
309.20718	1.0
337.70367	0.5
347.22168	6.3
355.10303	0.5
365.23233	100.0
366.23795	2.5
367.17844	0.6
383.24307	2.4
412.15930	0.5
415.19858	1.3
458.36276	1.1
498.56168	0.5
509.27817	0.8
527.28601	4.0
637.83295	0.4
724.39172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.2
53.03914	1.0
54.09344	0.2
55.01871	3.0
55.05512	9.6
56.81957	0.2
57.03435	2.5
58.22100	0.2
59.04992	0.5
61.02925	4.1
65.03924	0.6
67.05502	10.7
69.03087	0.3
69.03427	4.5
69.07066	12.4
70.96115	0.3
71.04988	1.1
72.75409	0.2
73.02912	1.4
77.03923	0.3
79.05491	9.9
81.03412	5.0
81.07053	10.4
83.04974	2.3
83.08154	0.4
83.08616	5.9
84.07779	0.2
85.02435	0.4
85.02903	5.6
85.06513	0.4
86.09679	0.3
87.04446	0.3
91.03952	3.3
91.05482	7.1
93.07041	8.2
93.07626	0.5
95.01315	0.5
95.04973	4.3
95.08060	0.3
95.08611	4.8
97.02305	0.4
97.02890	7.3
97.06515	1.9
97.10168	8.4
99.04431	0.5
103.05437	0.4
105.03371	0.3
105.07024	6.3
107.04951	3.5
107.07893	0.4
107.08593	6.8
108.05721	0.3
109.02842	0.6
109.06509	1.5
109.09464	0.3
109.10159	4.6
111.04425	0.4
111.08072	1.5
113.05981	0.3
115.03898	0.3
115.05415	0.5
117.07024	3.5
119.04935	0.6
119.08579	6.0
120.05722	0.3
121.06500	2.1
121.09339	0.3
121.10140	3.4
123.04449	0.3
123.08055	1.9
123.11684	0.5
125.09622	6.7
127.03917	1.8
128.06165	0.3
129.06978	1.7
130.07768	0.5
131.07732	0.3
131.08575	4.2
133.06520	1.7
133.10126	2.4
134.07234	0.6
135.08060	2.2
135.11693	1.3
137.09592	1.5
142.07741	0.2
143.08536	1.9
145.04971	1.4
145.10126	3.4
147.08046	3.8
147.11664	2.2
149.09602	1.3
149.13210	0.8
151.11183	0.5
153.09097	0.6
153.12733	0.2
155.08517	0.3
157.10117	1.6
159.08038	0.5
159.11703	1.7
161.09613	1.6
161.13280	0.5
162.10378	0.5
163.06026	1.6
163.11240	1.3
165.09097	1.0
165.12685	0.3
169.10013	0.3
169.12201	0.5
171.10135	0.8
171.11646	1.0
173.02687	0.2
173.04376	0.2
173.09590	0.3
173.13229	0.2
175.11166	1.6
177.12737	0.7
179.10603	0.4
184.07314	0.6
185.13252	0.5
187.11147	0.5
187.13077	0.2
189.11206	2.8
189.12741	0.5
191.10701	0.4
193.12250	4.2
195.13747	0.7
199.11086	0.3
205.12234	1.3
211.13283	1.7
223.13274	12.3
224.13564	0.3
227.12756	5.0
227.18063	0.4
229.14241	0.5
233.15276	0.3
237.16348	0.3
245.13863	1.2
245.18988	1.0
249.14894	1.9
255.17426	0.9
263.16461	0.3
263.19803	0.4
267.15863	2.3
273.18484	8.2
280.36481	0.2
283.15366	0.4
285.16943	12.8
286.17163	0.3
291.19525	73.1
292.19766	1.5
297.16940	0.4
307.19113	0.4
347.22205	2.5
365.23209	100.0
366.23495	3.0
383.24301	0.8
389.17953	0.3
412.09500	0.3
429.21194	0.7
443.82953	0.2
509.27560	0.9
527.28564	1.2
536.62360	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
57.03425	0.5
65.03953	0.4
65.80870	0.2
67.05509	1.3
69.03420	0.5
69.07071	7.8
69.54292	2.0
75.75742	0.3
76.96029	0.3
79.05499	6.5
85.02896	0.4
87.00822	0.3
91.05483	6.1
97.06533	86.2
98.06891	0.4
98.97579	0.5
104.16801	0.3
107.04956	0.3
109.02870	0.3
109.06549	0.5
119.04942	4.8
125.35291	0.3
127.03938	0.4
133.06465	0.5
135.04407	1.1
137.05981	60.8
138.06311	0.7
147.04420	3.8
149.05988	1.0
161.06003	0.4
163.07524	0.4
169.78703	0.3
186.06813	0.4
189.09114	7.5
191.10710	0.3
191.14302	0.8
215.10654	1.0
218.34790	0.3
224.74039	0.3
233.11723	72.7
234.12062	1.0
250.14389	100.0
251.14740	1.3
264.15860	0.4
265.15976	0.3
273.00046	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
54.94419	0.2
55.01867	1.5
55.05497	0.3
57.03430	0.3
65.03953	0.2
67.05495	1.3
69.03433	0.8
69.07069	7.3
70.06601	0.6
71.56136	0.2
79.05495	6.2
79.05959	0.3
81.07067	0.4
85.02894	0.5
91.05479	6.3
93.07065	0.3
95.04993	0.3
97.06532	75.1
98.06866	0.6
105.07073	0.3
107.04958	0.3
107.08560	0.3
109.06515	0.7
109.10161	0.4
119.04952	4.4
121.06505	0.2
121.10139	0.3
123.04445	0.3
126.95421	0.2
131.00117	0.2
133.06480	0.7
133.10103	0.5
135.04431	0.7
135.08105	0.2
137.05980	52.4
138.06287	0.3
140.40399	0.2
147.04422	3.4
149.05977	1.4
159.02313	0.2
161.09644	0.3
163.07544	0.9
173.06023	0.3
177.05377	0.2
189.09113	8.6
191.10614	0.3
192.36830	0.2
205.12177	0.4
209.15373	0.5
215.10701	1.1
233.11726	82.4
234.11993	1.0
250.14384	100.0
251.14818	1.2
264.15900	0.3
305.60934	0.3
319.48145	0.2
437.40970	0.2
454.20410	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01865	0.8
55.05512	2.0
57.03439	1.8
59.04991	0.4
61.02927	4.2
65.03938	0.4
67.05508	8.2
69.03429	2.5
69.07072	2.4
70.24989	0.2
71.01356	0.3
71.04985	0.7
71.56173	0.3
73.02924	3.6
79.05496	2.7
81.03429	2.1
81.07061	3.8
83.04996	0.7
83.08620	0.9
85.02907	4.0
85.06538	0.5
86.09729	0.4
87.04478	0.3
89.60287	0.2
91.03957	2.5
91.05493	2.7
93.07046	3.0
95.04978	0.7
95.08607	1.9
97.02901	3.6
97.06554	0.9
97.10167	0.8
99.04449	0.6
100.60390	0.2
101.02402	1.4
103.03967	0.3
105.07047	2.1
107.04955	0.5
107.08594	1.8
109.02875	0.9
109.06489	0.4
109.09467	0.4
109.10165	6.2
111.08062	0.3
112.08572	0.2
117.07051	0.7
119.08595	2.2
121.06538	0.3
121.10162	0.9
123.08080	0.4
125.09641	0.4
127.03909	1.1
129.07053	0.5
131.08594	0.9
133.10132	1.0
135.08078	0.3
135.11751	0.6
137.09621	0.4
143.08543	0.4
145.10158	0.8
147.11736	0.4
149.09644	0.6
149.13272	0.4
155.10728	0.5
159.11760	0.7
163.11163	0.3
165.12865	0.3
171.11786	0.3
173.11771	1.9
184.07446	1.2
185.04300	0.7
185.07507	0.3
195.09978	0.9
203.05211	0.2
221.11525	0.3
227.12949	0.3
229.14424	1.0
243.08421	2.5
251.12454	0.4
269.17691	0.4
275.19995	0.4
301.09021	0.3
312.83008	0.2
333.20465	2.0
350.07266	0.3
398.83737	0.3
413.17847	8.6
439.19229	0.6
453.21094	0.7
485.19855	0.4
543.36401	0.8
551.28247	4.9
561.37750	0.4
625.32025	0.7
723.39270	100.0
724.39636	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83737	0.2
53.03937	0.2
55.05511	7.2
55.99855	0.2
56.96554	0.3
57.07060	0.4
61.02930	0.3
67.05492	0.4
69.07058	0.5
70.06593	0.9
79.05482	0.4
81.03430	0.3
81.07056	0.6
82.06570	1.7
83.04970	0.6
83.08617	7.5
84.08139	0.7
85.02930	0.5
85.06543	0.4
91.05495	0.3
92.22804	0.2
92.23516	0.2
92.78247	0.2
93.07021	0.3
95.08599	0.3
97.02882	0.3
97.06508	1.4
97.69338	0.2
98.09702	1.1
98.14071	0.2
100.07618	2.5
100.11256	45.7
110.06047	1.7
111.04442	4.4
112.07631	1.2
112.11246	0.4
117.13909	1.0
117.74258	0.2
122.60040	0.2
126.09158	1.0
127.08659	1.3
128.07082	3.0
137.05994	0.9
139.08676	3.1
140.07045	1.5
147.11664	0.6
163.07635	0.3
164.14436	0.4
166.15945	0.4
168.13911	0.2
181.06343	0.2
182.15396	15.5
192.13873	0.5
193.12280	0.3
209.16490	20.0
210.14890	19.7
226.19138	6.6
227.15656	0.3
227.17476	1.2
228.15997	1.9
233.11678	0.6
250.14449	0.8
251.12636	0.2
300.74512	0.2
308.27078	0.9
326.27942	3.9
335.24545	0.8
336.22815	4.3
343.30740	0.5
381.21655	0.2
401.18726	0.2
417.32236	0.5
435.33279	10.0
436.33646	0.3
453.34363	100.0
454.34668	2.7
527.75806	0.2
545.50909	0.2
568.86456	0.2
700.08661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31783	0.2
56.96308	0.3
56.96562	4.4
66.70995	0.3
70.14079	0.6
70.14470	0.6
71.95262	0.4
76.07748	0.3
76.32589	0.2
78.86211	0.2
84.96036	3.1
85.02894	0.4
94.06593	0.3
98.20781	0.3
98.97583	29.3
110.97566	11.7
110.98338	0.6
112.89575	0.8
112.99141	0.6
114.89320	0.3
116.97823	0.6
116.98621	9.4
124.99069	1.4
128.98607	10.3
131.00148	0.8
134.99652	1.7
136.99127	0.3
138.05418	0.3
140.98582	4.2
142.99062	0.6
143.00169	9.6
143.01846	0.5
144.98114	0.5
145.01695	0.3
146.99641	3.5
152.98584	2.7
152.99655	0.5
155.00136	0.5
155.01923	0.3
158.01390	0.3
158.99646	13.9
160.99950	0.4
161.01221	5.6
162.99202	0.3
170.99658	16.3
173.02881	0.4
176.01022	0.3
177.00716	8.4
180.00093	0.3
182.99658	15.2
185.01202	0.6
185.02892	0.5
189.00723	11.5
191.02299	0.4
194.99648	1.1
195.01888	0.4
201.00714	43.1
202.01157	0.3
203.02278	1.0
207.01901	1.4
210.01158	0.5
212.02290	0.6
213.00700	3.8
219.01775	28.6
224.02365	0.8
228.98814	0.4
231.01816	3.6
237.02821	11.6
240.02078	0.4
242.03391	0.5
243.01776	18.0
245.05084	0.9
255.03955	0.6
261.02823	78.3
262.03165	0.7
267.01984	0.3
268.96399	0.3
273.02820	6.1
279.03888	31.2
284.04330	0.4
291.03870	12.5
295.08832	0.4
297.05087	0.5
302.05402	1.8
303.03781	1.3
309.04904	1.1
314.05331	0.4
321.04947	26.8
322.05225	0.7
333.04904	3.4
345.05142	0.5
351.05988	8.1
363.05948	2.4
381.07120	22.9
382.07251	0.4
399.08118	14.2
400.08191	0.3
402.00931	0.3
402.06512	0.3
405.09213	0.3
422.09720	0.8
423.08240	0.4
441.09177	100.0
442.09698	1.7
453.09128	2.5
457.96066	0.4
471.10080	1.9
495.10443	0.3
501.11026	2.5
513.11450	0.3
525.11450	0.4
543.12372	2.1
723.19073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.0
53.03944	10.6
55.01854	5.4
55.05266	2.1
55.05513	34.1
56.58401	1.6
57.03439	13.0
57.07061	3.5
61.02903	4.8
61.32831	2.0
65.03919	3.4
67.05506	70.8
69.03413	4.7
69.07068	21.6
71.04978	7.5
71.12010	1.6
71.57053	2.3
73.02882	2.1
73.06552	2.6
77.03930	1.9
78.30631	1.7
79.05495	87.6
81.03423	11.1
81.07059	68.9
83.04976	12.6
83.08618	11.1
84.87582	2.0
85.02874	7.9
85.06506	5.5
91.03936	4.8
91.05483	97.2
93.07044	89.8
95.04958	14.4
95.08606	48.7
97.02881	4.6
97.06527	9.8
97.10141	6.6
103.05450	2.1
105.07034	84.3
107.04929	7.6
107.08599	34.1
109.02867	1.9
109.06478	5.3
109.10168	14.1
111.08070	4.9
117.06347	2.0
117.07021	26.3
119.08582	62.3
121.06501	4.4
121.10146	16.4
123.08044	6.0
123.11691	4.0
125.09592	2.6
127.03880	2.5
127.07587	2.7
128.06206	4.7
128.10847	1.6
129.07010	28.6
130.07796	1.7
131.08572	36.2
133.06488	1.7
133.10126	37.8
135.08043	3.8
135.11685	12.9
137.09581	2.2
141.06976	3.5
143.08545	24.1
145.10114	28.6
147.08020	3.6
147.10510	2.9
147.11684	56.9
149.09578	3.6
149.13242	8.2
155.07172	1.4
155.08513	9.4
156.09372	2.3
157.10097	14.6
159.11696	23.5
161.09619	4.4
161.11992	2.4
161.13269	32.5
163.11179	3.7
163.14827	3.3
166.07730	1.8
167.08551	3.4
169.10129	14.3
171.07976	2.6
171.11696	34.8
173.13220	13.0
175.11185	2.0
175.14806	14.3
177.12712	2.5
181.10129	6.7
183.11688	7.6
184.07309	3.9
185.13271	18.1
187.11194	3.8
187.14777	6.3
188.38036	2.0
189.12729	8.4
191.08379	1.8
193.10089	2.9
195.11632	6.0
197.13261	7.6
199.14792	8.0
207.11871	3.2
207.13785	17.1
209.13225	6.8
211.14801	5.3
213.16373	5.1
215.17903	1.8
217.19542	1.8
221.13380	2.3
223.14848	4.2
231.21066	6.9
237.16249	2.1
241.19495	20.3
251.14912	1.6
257.19012	5.2
259.20596	48.3
261.22134	3.5
267.05438	1.7
271.36700	2.2
275.20126	2.2
277.21881	2.0
279.15869	9.4
281.17468	54.0
315.23105	7.3
323.23706	2.5
333.24289	40.0
429.31412	2.6
437.34109	5.4
447.32468	12.6
465.33646	13.0
483.34671	6.4
505.66574	2.1
509.36160	2.5
511.37622	2.4
521.36102	5.9
529.39038	3.7
539.37311	100.0
540.37476	4.7
557.38397	46.5
647.39264	2.2
701.41931	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	719.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29100	0.4
56.68135	0.4
59.06128	0.6
69.46595	1.2
69.47016	1.8
71.70360	0.4
72.38830	0.4
79.05486	0.6
80.94846	0.5
82.94550	1.2
85.54266	0.4
92.88270	0.4
95.04377	0.4
98.20752	0.8
101.07169	0.4
104.51315	0.5
107.08567	0.4
117.30500	0.4
118.65776	0.4
119.15191	0.4
184.07465	0.6
195.09132	0.5
209.10742	0.9
210.11569	0.9
211.12405	0.7
221.10582	0.9
223.08711	1.0
223.12434	1.0
224.12982	0.8
225.10272	1.3
225.13820	2.4
226.14632	0.8
235.12260	1.1
237.13911	2.0
238.14909	0.5
239.04771	0.4
249.13905	1.3
251.08281	1.6
270.13876	0.5
275.15405	0.7
277.06140	0.4
312.14957	0.5
314.12888	0.7
326.12762	0.5
344.30463	0.4
352.14670	0.7
358.54614	0.5
375.15927	0.7
387.17700	0.4
389.17657	1.0
398.15030	0.6
399.19476	0.5
403.15640	1.3
404.16235	0.6
405.20996	1.0
412.16855	0.8
415.16077	0.5
417.16800	3.3
418.17648	2.4
419.18188	0.5
430.18216	0.9
431.18964	2.2
432.19443	2.7
433.19974	3.5
434.21252	0.7
445.16681	1.5
446.16724	0.7
447.21930	10.7
448.22433	1.4
458.17142	0.5
459.22470	0.8
460.18921	1.2
461.19431	1.2
473.20059	0.5
474.20264	1.0
475.21292	24.8
476.22018	5.3
477.23099	0.7
479.24976	0.9
487.21381	1.5
489.22729	1.5
493.22162	1.0
503.20178	3.7
507.23999	0.8
519.23938	1.6
534.26385	1.2
535.23309	16.7
536.23834	1.0
547.23187	2.7
549.24976	2.0
551.26093	0.5
561.25037	5.8
562.26019	3.0
563.26538	3.2
575.22644	0.7
590.25311	0.9
607.25433	1.8
621.27167	11.2
622.27838	100.0
623.28009	5.3
701.33228	1.5
719.34564	1.7
719.46405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36397	0.4
56.32046	0.4
59.06115	1.6
69.74228	1.0
69.74639	1.6
78.40862	0.4
81.07038	0.8
85.07677	1.1
86.65701	0.4
95.08593	0.6
101.07132	1.2
103.08701	3.0
120.08083	0.6
204.06540	0.7
209.10646	0.5
210.11710	0.6
211.12091	0.5
222.11681	0.8
223.08696	0.6
223.12389	0.8
224.13060	1.0
225.10376	1.0
225.13782	3.3
226.14723	1.0
234.11737	0.4
235.12370	0.9
237.10262	0.6
237.13770	2.2
238.14690	0.4
239.15508	0.5
249.10408	0.5
249.13873	1.3
251.08237	2.0
251.11983	0.5
252.12456	0.5
265.13541	0.5
274.97299	0.4
275.15469	0.5
301.12094	0.8
309.08737	0.5
318.04926	0.5
326.12964	0.7
328.14514	0.6
337.11694	0.5
353.15436	0.5
368.14075	0.6
389.17859	1.0
403.15173	0.9
403.19681	0.7
404.15982	0.6
412.16663	0.5
415.16412	0.8
416.16711	0.7
417.16833	2.9
418.17978	2.5
419.18149	1.0
419.22937	0.6
431.18799	2.2
432.19565	2.6
433.20035	4.5
434.20883	0.5
445.16605	1.4
446.21527	1.1
447.21863	9.8
448.22708	0.9
458.17294	0.8
459.17322	0.8
459.22678	0.7
460.18420	0.9
461.19699	1.4
474.20645	1.4
475.21286	26.3
476.22009	5.7
477.23120	0.5
487.21213	0.8
489.23172	1.0
493.22672	0.5
503.20508	3.8
505.22073	0.6
507.23721	0.8
519.23920	1.7
521.25781	0.8
533.21399	0.6
534.26587	0.6
535.23334	17.5
536.23700	0.6
547.23187	2.7
549.25134	1.9
561.24927	4.7
562.25549	5.5
563.26837	3.4
579.25494	0.5
589.24725	0.8
590.25354	1.2
607.25690	1.9
621.26971	8.2
622.27832	100.0
623.28510	3.8
701.33514	2.8
719.34296	5.0
719.45160	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64204	1.2
53.03935	3.7
55.01863	4.7
55.05277	1.2
55.05518	18.1
57.03436	11.2
59.04988	4.3
61.02912	4.9
65.03926	2.0
67.05508	100.0
68.05837	1.8
69.03419	6.9
69.07070	19.1
69.07420	2.1
69.69245	2.3
69.69655	5.6
71.05002	6.4
71.92124	1.4
73.02895	2.0
79.05069	1.9
79.05499	26.0
79.05956	1.3
80.05857	1.5
81.03417	9.7
81.07060	42.0
83.04986	6.6
83.08621	11.9
85.02903	6.1
85.06557	3.8
86.09711	1.5
91.03948	2.8
91.05486	25.5
93.07043	27.7
95.04977	5.8
95.08603	16.8
96.08960	1.2
97.02911	6.2
97.06538	10.0
97.10159	5.1
98.21588	1.6
99.04508	1.6
99.08068	1.4
105.07044	19.9
107.04967	5.4
107.08592	20.4
109.02897	1.7
109.06508	3.3
109.10158	69.0
111.08060	3.9
117.07011	9.7
119.08578	16.9
121.06499	2.0
121.10158	8.2
123.08066	3.4
123.11732	2.8
125.09639	6.5
127.03945	3.5
129.07010	4.5
131.08591	9.3
133.10133	10.4
135.08052	4.1
135.11700	5.7
137.05994	1.4
137.09612	5.7
137.11703	1.2
143.08525	2.5
145.10133	9.4
147.08026	1.5
147.11708	8.0
149.02315	1.6
149.09630	6.5
149.13263	4.9
153.09102	1.5
155.08606	2.2
155.10704	4.1
157.10117	2.5
159.07986	2.0
159.11726	6.9
161.13275	1.6
163.11176	4.2
169.10144	1.7
171.10159	1.3
171.11694	3.8
173.04501	2.9
173.11737	19.1
173.13249	3.9
177.12674	1.6
179.14291	1.6
183.11754	2.0
184.07410	5.3
185.13284	1.4
189.11230	3.9
195.13864	1.9
201.09181	1.6
227.12796	13.7
229.14357	73.6
239.17860	1.7
255.15930	5.9
257.19034	8.3
269.17462	9.9
275.20081	21.0
293.21085	1.6
331.22806	2.0
340.25562	1.4
349.23724	21.6
367.24597	3.5
383.24109	2.1
399.23764	4.6
407.28015	1.8
409.20450	1.2
409.25787	17.0
423.27441	61.9
424.27615	1.8
429.11905	1.6
461.26434	1.5
493.27881	1.4
503.33688	39.1
521.34625	8.7
543.28174	1.9
556.36725	3.0
567.31555	2.2
718.41125	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	718.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01875	5.1
55.05513	17.9
57.03437	10.4
57.07066	1.8
57.50470	0.6
59.04996	4.3
61.02932	3.5
65.03937	3.0
67.05505	100.0
69.03426	5.8
69.07069	17.9
71.04990	5.2
71.08625	0.6
71.56789	0.6
73.02917	2.0
79.05495	28.7
79.95317	0.6
81.03425	5.8
81.07059	38.8
82.07399	0.7
83.04978	5.0
83.08617	12.0
83.09106	0.7
85.02905	4.9
85.06043	0.7
85.06525	2.8
86.09723	0.7
87.04523	0.6
91.03973	2.1
91.04899	1.1
91.05482	25.1
93.07046	26.9
95.04980	5.1
95.08610	15.8
97.02884	4.0
97.06529	8.4
97.10169	8.3
99.08073	1.1
103.05477	1.1
105.04533	0.6
105.07031	18.4
107.04965	5.9
107.08595	19.8
109.02898	1.4
109.06520	3.1
109.10157	69.9
110.10509	1.1
111.04475	1.2
111.08076	4.9
113.09675	0.6
115.04001	0.7
115.05434	0.7
116.06271	0.7
117.07020	8.5
119.05056	0.7
119.08573	15.5
119.09340	1.0
121.06561	2.0
121.10147	7.6
123.08086	2.4
123.11754	1.7
125.09629	7.1
127.03957	1.6
128.06224	0.7
129.05502	1.0
129.07016	3.0
131.08572	9.6
133.06502	0.8
133.10117	12.0
135.08080	2.6
135.11684	6.3
137.05998	1.3
137.09627	3.2
141.07021	0.9
142.07875	0.5
143.08569	2.9
145.06531	1.3
145.10123	10.0
147.04364	0.7
147.08099	0.9
147.11694	6.4
149.09625	7.1
149.10583	0.6
149.13274	3.6
151.11218	1.0
153.09209	0.8
155.08565	1.1
155.10651	3.8
157.10153	1.7
159.11682	6.9
161.09662	1.4
161.13332	2.2
163.11180	4.3
165.12836	0.9
169.10123	1.1
171.10240	1.3
171.11703	1.2
173.04495	1.0
173.11761	18.0
173.13272	3.2
173.59349	0.6
175.11177	1.0
177.12804	2.2
179.14371	2.5
183.11705	1.4
184.07228	1.2
185.13351	1.1
187.14932	0.9
189.11171	4.8
189.12701	0.7
195.13925	2.2
197.13362	0.9
199.14871	0.6
213.12762	0.7
213.16316	0.6
215.14337	0.6
227.12799	17.9
229.14355	59.6
230.14845	0.9
239.18066	2.1
247.20732	1.1
249.14981	0.8
253.18159	0.8
255.15875	3.2
257.19016	5.2
269.17496	7.4
275.20053	19.9
284.13287	0.6
293.21222	2.4
321.24622	1.0
322.82852	0.6
325.20346	1.2
331.22882	2.2
349.17346	1.0
349.23734	22.9
350.24393	0.8
367.25018	1.7
383.24487	1.8
399.23721	4.9
407.28189	2.5
409.25888	11.2
413.22202	0.7
416.24338	0.7
423.27423	38.1
424.27756	1.3
439.27429	0.8
463.30969	1.3
485.33029	1.3
503.33688	37.6
504.34155	1.5
521.34674	4.6
543.28217	1.0
567.32074	1.6
718.42157	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	718.282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.01859	1.3
57.27443	1.0
61.02929	1.3
62.42704	0.7
65.03912	1.7
67.05506	1.5
69.03426	3.9
70.06584	1.9
71.56332	1.1
74.98850	0.8
76.65079	0.9
79.05485	2.7
80.05013	1.2
81.03407	2.5
82.06571	2.0
84.08131	1.2
85.02908	7.8
86.09702	1.2
89.03957	0.8
91.05482	3.3
92.05055	1.2
93.07058	6.2
94.06559	7.4
95.04974	2.1
95.07356	6.7
95.08614	1.2
96.07563	1.2
96.08138	17.1
97.02908	2.1
97.06525	7.5
98.97565	0.8
103.05485	1.9
105.07027	1.2
106.06600	1.4
107.07353	0.9
108.08121	15.0
109.02909	1.0
109.08882	1.5
110.06039	1.0
110.09684	31.3
116.04992	1.8
119.04933	0.9
120.04492	1.7
120.08113	20.5
121.06519	1.1
122.06033	4.2
122.09665	2.5
124.07602	11.7
127.03912	2.5
134.06026	1.3
136.07585	16.5
137.06023	4.5
138.05504	3.7
138.09149	41.3
138.10225	2.0
139.06302	1.7
144.04465	6.0
145.05057	0.9
146.06003	8.4
148.07574	9.4
148.16388	0.9
150.09126	5.8
152.07080	10.9
154.08609	0.9
157.06564	1.2
160.03972	2.3
162.05550	3.3
164.07072	1.4
166.08646	82.7
172.03926	30.0
174.05544	3.9
180.06551	1.3
190.04990	18.9
192.06459	1.1
198.07666	2.8
199.08475	1.2
204.06577	40.5
206.08147	2.5
211.08757	1.5
219.09448	1.3
223.08643	4.5
225.10129	4.0
226.11267	1.0
227.08055	1.3
227.11641	1.0
233.11771	3.4
235.08517	1.2
237.10257	7.8
239.08170	5.0
239.11707	1.5
241.09714	3.9
243.10980	1.8
249.10133	1.4
250.14436	6.5
251.08212	9.0
251.11812	1.6
252.08997	1.5
253.09746	9.4
255.11195	4.6
264.09039	1.0
265.09735	18.6
265.51660	0.9
266.10455	2.9
267.07736	6.4
267.11270	6.7
269.09320	2.1
277.09677	1.6
279.07669	14.5
279.11218	3.3
280.08307	1.5
281.09268	12.1
281.12357	1.4
283.10767	12.8
287.05353	1.0
287.10400	2.1
293.09195	15.3
294.07257	1.2
295.10794	10.7
297.08987	1.4
297.12317	6.8
299.10297	8.0
299.13934	2.8
300.10910	1.2
301.11932	1.3
307.10828	2.7
309.08740	5.7
309.12134	2.0
311.10217	13.4
313.11838	2.3
315.13431	3.4
321.08722	23.3
325.11850	22.3
327.09753	11.5
327.13513	2.7
328.10748	1.1
334.09042	1.1
336.08594	4.1
339.09778	24.1
339.13507	1.0
341.11304	10.5
341.15091	1.4
343.12872	4.0
351.64676	0.9
353.11346	19.3
357.14490	7.7
359.12320	38.6
368.11072	1.8
371.12439	19.2
372.13361	1.7
374.12247	1.8
391.15042	4.4
400.16556	1.4
404.15558	1.4
418.17639	3.9
432.15555	1.7
436.18756	2.1
446.17148	5.4
448.18674	2.7
464.18301	11.9
469.33514	1.9
474.16641	8.7
478.19443	1.4
480.21405	9.1
487.17181	11.0
489.16559	2.7
492.17694	63.4
493.18237	1.9
506.12280	1.3
506.19321	21.4
507.18329	1.2
510.18817	1.2
524.20325	100.0
525.20215	3.7
538.21704	5.7
539.19714	1.1
556.22534	2.4
636.22308	1.5
654.22900	6.7
668.24213	2.7
686.25116	3.5
700.27234	1.9
701.25226	1.3
718.26929	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.351
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63073	0.2
67.05490	0.2
69.38431	1.0
70.53470	0.1
79.05492	0.2
81.07062	0.2
83.01131	0.3
85.02937	0.2
93.07014	0.2
97.02785	0.2
98.97607	0.2
102.96864	0.2
105.07034	0.3
107.08536	0.2
119.08589	0.3
121.10149	0.2
123.04176	0.2
127.92886	0.1
135.11646	0.2
149.52693	0.2
157.04758	0.4
165.81761	0.2
169.04819	0.4
173.02902	0.3
184.03438	0.3
185.04211	2.7
201.03720	1.3
203.05252	0.8
243.08528	0.2
259.07956	1.3
275.07422	0.6
277.21802	0.2
287.07419	0.3
301.08978	0.8
317.08578	0.7
317.19443	0.2
319.10010	0.5
321.17081	0.2
331.09979	3.3
331.13550	0.3
345.11737	0.6
347.09518	4.4
359.13199	0.3
359.65771	0.3
363.09012	4.0
365.10486	0.2
373.14749	0.8
387.16589	0.4
391.24579	1.1
401.18030	0.5
415.19366	1.1
417.17822	0.2
421.13266	0.6
437.12692	1.7
441.20804	0.3
455.22495	0.9
463.14197	0.5
471.58255	0.2
483.21927	2.2
493.15274	5.1
507.16681	1.1
521.18439	1.1
530.54010	0.2
535.20087	1.4
535.28888	0.5
549.21295	0.6
553.29822	17.1
554.30310	0.2
563.23309	0.9
577.24500	1.8
603.26422	0.4
617.28003	0.9
645.27338	1.4
697.33429	0.3
715.35077	100.0
716.35437	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	715.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.2
64.31789	0.2
67.05508	0.3
70.95361	0.5
77.33236	0.2
79.05479	0.3
83.01093	0.5
83.22504	0.2
84.01896	0.5
88.79713	0.2
90.18900	0.3
90.78719	0.2
93.07063	0.5
95.01089	0.5
95.08633	0.3
96.01892	0.3
97.02698	0.2
102.96878	0.4
111.00680	0.2
156.03886	0.3
157.04794	0.6
169.04640	0.2
171.11726	0.2
184.03441	0.3
185.04210	2.1
185.10121	0.2
201.03700	2.0
203.05275	2.7
215.09195	0.2
239.25122	0.2
241.06914	0.3
257.06354	0.9
259.07861	2.1
275.07593	0.5
297.05148	0.2
301.09399	0.3
306.94391	0.2
317.08450	1.0
319.09995	1.5
329.08542	0.3
331.09906	2.3
345.11813	0.3
347.09521	4.5
359.15738	0.4
359.65619	0.9
363.09027	1.7
365.10541	3.8
373.14594	0.5
391.24606	0.9
401.18121	0.5
415.19550	0.7
421.13177	2.7
437.12952	0.6
441.21185	0.4
455.22668	0.6
483.22028	2.0
493.15305	4.2
507.17041	0.6
521.18500	1.0
535.20532	1.1
535.28204	0.3
553.29803	13.4
563.23132	0.8
577.24475	1.6
617.27759	0.9
629.27765	0.3
645.27203	0.8
715.35089	100.0
716.35474	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	710.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
53.87302	0.8
55.05516	5.9
57.03432	3.1
57.07062	2.0
61.02657	0.7
61.02930	10.5
67.05175	1.1
67.05509	16.1
69.03419	2.1
69.07071	5.3
69.97473	3.6
71.04985	2.1
73.02914	4.7
79.05492	22.6
80.45589	0.7
81.03378	1.1
81.07055	16.4
83.04956	1.5
83.08608	3.2
85.02428	1.2
85.02906	14.2
85.06519	1.6
91.03957	12.3
91.05486	21.5
93.07044	29.7
93.07636	1.5
95.04967	2.4
95.08617	11.5
97.02892	6.2
97.06532	2.0
97.10178	0.9
99.04424	1.6
99.08076	1.5
101.94851	0.7
105.07030	26.5
107.04935	1.0
107.08597	16.6
109.10162	5.5
111.08088	1.4
113.09644	0.9
115.05463	0.8
117.07036	7.5
119.08590	22.0
121.10152	14.6
123.11663	0.8
127.03918	3.5
129.07007	5.0
131.08574	11.6
133.10129	20.3
135.08014	0.9
135.11693	13.4
137.09666	1.5
142.07732	0.9
143.08546	5.1
145.04984	4.2
145.10121	10.0
147.11696	18.8
149.09595	1.2
149.13257	8.5
155.08537	1.4
157.10109	4.5
159.11697	10.1
161.13261	13.7
163.06010	9.4
163.11232	1.4
163.14786	2.0
171.11711	5.9
173.13248	5.4
175.14818	7.7
177.12830	1.5
185.13222	4.9
187.14787	1.1
189.12836	0.8
199.14857	3.9
201.12729	1.1
213.16327	1.2
218.21649	0.8
231.21069	4.4
241.19539	14.4
246.23958	0.9
259.20584	45.6
260.20953	1.5
261.22177	1.1
277.21646	1.1
301.21753	1.0
333.24176	3.2
349.21277	1.3
351.25293	100.0
352.25751	4.4
363.25156	1.2
365.15433	2.6
367.22580	1.4
375.25266	2.2
417.26352	1.5
429.26328	1.3
441.26489	3.5
442.55316	1.0
459.27402	2.7
477.28363	3.5
495.29300	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	710.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01861	1.0
55.05520	5.4
57.03434	4.8
57.07062	1.7
61.02925	11.3
62.69169	0.7
67.05507	15.5
69.03422	1.8
69.07074	6.6
70.81548	2.4
71.05004	1.4
73.02902	4.2
77.77024	0.9
79.05493	22.0
81.03405	1.6
81.07062	15.6
83.08623	2.9
85.02905	11.3
85.06519	1.0
86.26192	0.9
91.03944	9.3
91.05479	19.3
93.07044	33.6
95.04962	1.9
95.08614	14.9
97.02872	5.8
97.06529	1.3
97.10146	1.5
99.04452	1.1
99.08064	1.2
105.07039	23.3
107.08589	16.8
109.02830	1.5
109.06557	1.1
109.10135	5.7
113.87077	1.1
117.07018	5.2
119.08589	19.3
121.10143	14.8
123.11720	0.9
125.09647	1.0
127.03947	3.0
128.06224	0.9
129.06998	5.7
131.08562	9.7
133.10124	20.0
135.08046	1.1
135.11690	15.2
137.09627	1.3
143.08557	4.1
145.04930	4.9
145.10120	7.8
147.11694	18.1
149.09610	1.7
149.13243	8.8
151.11200	1.1
157.10152	4.4
159.11707	9.3
161.09622	1.0
161.13260	14.7
163.06033	5.8
163.11165	1.3
163.14838	3.7
171.11717	5.1
173.13246	4.0
175.14806	5.6
177.12764	1.4
185.13248	6.9
187.14830	0.9
199.02306	1.0
199.14821	2.3
203.13971	1.0
213.16420	1.6
217.19565	1.4
231.21104	2.6
241.19487	12.9
259.20596	34.6
277.21616	4.7
301.21555	1.4
333.24332	9.0
351.25290	100.0
352.25674	2.3
363.25269	2.0
375.25339	3.1
381.75296	1.0
417.26117	1.0
441.26242	4.6
459.27524	4.1
477.28360	4.4
495.29575	7.7
513.29895	1.4
532.04016	0.9
723.72375	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.3
55.01876	7.0
55.05513	15.1
57.03444	8.0
61.02927	6.4
61.32677	1.1
67.05503	32.4
69.03431	10.5
69.07073	18.5
69.25639	1.9
69.26041	10.1
71.04992	3.6
72.05317	1.3
73.02923	3.1
79.05494	26.4
81.03409	7.5
81.07063	35.0
83.04983	6.0
83.08617	11.3
85.02908	10.8
85.06532	1.7
91.03939	3.0
91.05483	23.3
93.07053	27.0
95.04977	6.1
95.08605	13.7
96.08983	1.3
97.02898	5.9
97.06537	10.6
97.10168	11.5
105.06387	2.0
105.07031	21.1
107.04968	5.6
107.08601	40.2
109.01404	1.5
109.06508	2.8
109.10168	13.2
111.04430	1.9
111.08070	3.9
117.06985	6.5
119.08582	13.9
121.06538	2.9
121.10133	7.8
123.08067	1.8
123.11710	4.9
125.09632	12.9
127.03934	4.6
129.07005	2.9
131.08588	11.3
133.06435	1.8
133.10143	17.4
135.08047	3.6
135.11703	6.2
137.09618	1.7
141.06976	2.1
143.08577	3.0
145.04889	1.4
145.10141	15.3
147.08025	1.8
147.11687	10.1
149.09628	11.1
149.13327	2.4
151.11183	2.1
153.09096	1.3
155.10709	1.7
157.10150	3.5
159.11708	8.8
161.09674	1.9
161.13271	3.7
163.11182	5.2
171.10223	2.3
171.11635	1.8
173.04521	1.5
173.11736	3.2
173.13272	5.0
175.11208	2.0
177.12750	3.0
179.14304	2.8
184.07449	2.0
189.11238	8.3
197.13318	2.7
227.12743	8.6
229.14397	10.6
235.16812	2.2
239.17969	4.2
245.13841	4.9
247.20724	2.0
255.15892	2.4
257.19052	13.9
267.15820	1.3
268.16342	1.7
269.17407	12.3
275.20068	35.3
276.20566	1.9
283.15582	1.7
285.16895	1.6
293.21045	2.7
309.20593	8.0
331.22656	2.0
349.23724	100.0
350.24057	10.2
367.24805	27.2
374.16086	3.5
374.65991	1.5
413.22125	2.0
493.27914	2.7
511.28931	6.5
512.29321	3.2
529.29840	3.7
665.58203	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01870	8.9
55.05518	20.0
57.03437	7.2
60.53884	1.7
61.02918	8.1
65.03954	1.8
67.05508	39.7
67.20502	1.7
68.03140	1.8
69.03429	7.8
69.07076	17.6
69.98064	4.1
69.98461	4.0
70.06589	1.8
71.04993	3.8
79.05498	31.3
79.97217	1.7
81.03431	9.2
81.07056	33.4
82.07390	2.5
83.04984	5.9
83.08638	12.7
83.64153	1.9
85.02904	9.5
85.06542	2.8
91.03963	6.8
91.05487	27.1
92.05826	2.0
93.07043	24.0
94.07380	2.0
95.04964	5.3
95.08617	20.7
97.02906	6.5
97.06523	13.3
97.10191	16.4
99.08116	2.3
105.07043	26.0
107.04948	6.6
107.08601	44.0
109.02899	3.4
109.06499	2.4
109.10159	17.7
111.08087	3.2
117.06999	10.4
119.08581	19.3
121.06481	4.6
121.10152	12.9
123.11735	4.6
125.09641	14.4
127.03960	4.4
129.06995	4.0
131.08560	16.9
133.10115	20.3
135.08069	5.1
135.11696	9.0
137.09630	3.4
141.07054	2.3
143.08519	4.5
145.04994	3.2
145.10129	24.9
147.11690	11.5
149.09619	13.2
149.13252	4.9
151.11206	2.4
153.09074	2.1
155.10771	2.2
157.10182	2.3
159.07977	2.0
159.11667	10.2
161.09631	2.6
161.13258	4.5
163.11169	5.9
169.10133	3.8
171.10242	3.8
171.11674	4.6
173.11780	4.2
173.13252	5.7
177.12759	5.4
179.14268	3.3
183.11702	3.1
184.07355	2.2
187.11191	4.2
189.11243	10.9
189.12756	2.3
227.12764	14.9
229.14368	19.1
229.19521	2.8
239.18034	4.3
245.13914	9.0
255.15904	3.9
257.19034	18.8
262.58298	2.0
269.17456	15.0
270.17764	2.0
275.20087	51.2
276.20300	4.2
293.20850	2.7
309.20795	2.7
331.22760	2.7
349.23740	100.0
350.24109	11.2
367.24808	33.0
374.15860	2.1
388.59229	2.3
443.24329	1.9
511.28726	3.0
512.29175	3.0
619.21924	2.2
709.37708	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	708.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
55.01868	1.6
65.03932	0.6
67.05508	1.1
69.03432	0.4
69.07068	19.7
69.34241	0.6
69.34647	1.7
70.06590	0.3
79.05496	3.4
81.07058	0.5
83.04997	0.5
85.02908	0.4
85.50214	0.2
89.21183	0.2
89.75967	0.3
91.05482	13.2
95.04980	0.3
95.08620	0.9
97.06533	22.0
98.97600	0.6
105.07032	0.4
107.04954	0.5
109.06527	1.1
109.10162	0.4
112.99173	0.3
119.04943	10.0
119.08575	1.1
120.08942	0.3
121.06485	0.3
123.04465	0.4
133.10120	1.3
135.04414	0.9
135.11679	0.4
136.05203	1.8
137.05977	100.0
138.06306	0.9
144.87985	0.2
145.10080	0.3
147.11693	0.5
149.05968	1.0
158.99654	0.5
162.24797	0.2
163.03944	2.2
163.07529	0.3
173.01216	0.3
173.06009	0.5
175.14827	2.1
176.15050	0.5
185.09581	0.2
186.06693	0.4
187.11206	0.3
193.15880	0.6
215.10658	1.4
233.11723	88.2
234.12067	1.1
250.14383	69.1
251.14673	1.1
276.57074	0.3
501.46710	0.3
532.12769	0.3
627.63074	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.01874	0.5
55.05512	1.6
57.03447	1.6
57.07080	0.4
61.02929	4.0
65.03941	0.3
67.05505	6.4
69.03428	2.2
69.07073	1.1
70.69053	0.3
71.01357	0.3
71.04974	0.7
71.56252	0.4
73.02914	2.7
79.05492	3.9
81.03429	1.1
81.07053	3.3
83.04980	0.4
83.08640	0.8
85.02901	4.0
85.06588	0.3
86.09716	0.8
87.04475	0.4
91.03967	2.5
91.05482	2.9
93.07038	3.2
95.04996	1.0
95.08614	2.5
97.02890	3.5
97.06544	0.3
98.98525	0.3
99.04456	0.9
100.17496	0.3
101.02391	1.2
105.07038	2.4
105.07652	0.4
107.08586	1.8
109.02892	0.5
109.06475	0.6
109.10149	4.7
109.67592	0.3
111.08161	0.3
117.07030	0.7
119.08582	2.1
121.10149	1.2
125.00034	0.5
125.09637	0.3
127.03939	1.1
129.05486	0.4
129.07013	0.5
131.08586	0.8
133.10107	1.4
135.11725	0.9
143.08571	0.5
145.04858	0.3
145.10143	0.7
147.11717	1.1
149.13252	0.3
155.10635	0.3
159.11746	0.8
161.13301	0.4
171.11729	0.4
173.11794	1.3
173.13197	0.4
184.07338	2.7
185.04251	0.9
185.07854	0.3
185.13354	0.4
195.09917	0.8
201.03824	0.4
203.05333	0.5
229.14449	0.8
241.19649	0.3
243.08430	2.5
259.20584	0.6
271.06152	0.4
301.09094	1.0
301.88727	0.3
352.12317	0.3
373.10886	0.5
385.18521	0.5
397.18539	0.3
413.17841	6.4
429.17361	0.4
437.21854	0.3
465.21048	0.4
485.20151	1.4
535.28741	6.8
545.38965	0.8
556.34564	0.3
574.72827	0.4
637.31598	0.4
689.41663	0.3
707.39752	100.0
708.40143	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	707.398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
55.05505	1.3
55.73162	0.3
57.03434	2.0
60.91174	0.4
61.00198	0.3
61.02923	4.2
65.03954	0.3
67.05505	7.1
69.03427	2.3
69.07053	1.1
70.73920	0.3
71.01332	0.4
71.04999	0.7
71.56503	0.6
73.02914	2.4
74.71795	0.3
76.35494	0.3
79.05483	3.4
81.03416	1.8
81.07050	3.7
83.08619	1.0
85.02900	4.5
85.06530	0.4
86.09710	1.0
91.03970	2.7
91.05481	3.2
93.07051	3.9
95.04963	0.6
95.08605	2.5
97.02895	4.1
97.03907	0.3
97.06538	0.3
97.10171	0.5
99.04447	0.9
101.02366	1.7
105.07028	2.8
107.04948	0.4
107.08590	2.4
109.02896	0.6
109.06524	0.4
109.10158	5.0
111.08133	0.3
117.07022	1.1
119.08588	2.1
121.10154	1.3
125.00003	0.4
127.03916	1.5
129.06982	0.6
131.08540	0.9
133.10138	1.5
135.08138	0.4
135.11691	1.1
143.08522	0.5
145.10133	0.6
147.11688	1.0
151.15424	0.4
157.10207	0.4
159.11700	0.9
161.13258	0.5
171.11662	0.4
173.11774	1.2
173.13239	0.6
184.07349	2.2
185.04189	0.8
185.07465	0.4
195.09952	1.2
203.05438	0.4
229.14375	0.9
243.08398	2.9
259.20410	0.8
301.08966	1.4
315.16510	0.7
333.17294	1.2
351.18405	0.5
373.10965	0.6
391.24576	0.6
413.13559	0.3
413.17847	8.0
413.23071	0.5
429.17474	0.5
431.13773	0.5
443.08331	0.4
465.21112	0.8
466.58774	0.4
480.57849	0.4
485.20102	1.2
535.28687	6.2
569.29285	0.5
637.31976	0.4
689.25922	0.6
707.39728	100.0
708.40131	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	707.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01868	4.8
55.05273	1.6
55.05515	21.0
57.03433	10.1
61.02929	9.3
63.53114	1.0
65.03964	2.0
67.05506	24.7
69.03127	1.2
69.03434	11.4
69.07072	15.3
71.04993	4.2
73.02914	3.1
79.05494	19.3
81.03422	47.4
81.07059	27.6
83.04988	10.9
83.08626	20.1
85.02908	16.3
85.06544	1.8
87.14906	1.1
91.03961	5.5
91.05485	21.8
92.05791	1.3
93.06492	1.7
93.07049	20.3
94.07337	1.2
95.04969	20.6
95.08614	11.1
97.02901	12.4
97.06561	6.1
97.10175	12.3
99.04450	1.7
99.08036	1.1
103.05460	1.3
105.07038	16.8
107.04962	8.0
107.08598	14.9
108.08892	1.0
109.02887	4.5
109.06517	3.7
109.10159	8.5
111.04446	3.7
111.08078	7.7
117.07019	7.4
119.08591	18.3
121.06512	4.6
121.10136	10.6
123.08091	8.2
123.11707	2.1
125.09652	11.0
127.03918	5.7
128.06230	1.4
129.05507	2.6
129.07016	6.4
130.07700	1.4
131.08585	10.6
133.06494	4.2
133.10165	9.1
135.08015	3.7
135.11711	3.8
136.26173	1.3
137.05984	1.6
137.09613	4.0
142.07797	2.3
143.08554	3.3
143.10669	1.2
145.04982	1.4
145.10114	6.7
147.08017	6.7
147.11694	11.1
149.09645	6.1
151.11172	3.0
153.12791	1.8
157.10123	9.2
159.08032	1.6
159.11736	2.1
161.09608	3.6
161.13190	1.4
163.11166	3.8
165.09081	1.8
165.12756	2.9
171.11659	2.9
173.04320	1.6
173.09595	1.5
173.13127	1.5
175.11165	10.6
177.12711	1.3
184.07280	2.1
185.13232	1.8
189.11227	5.2
189.12796	2.1
191.10663	1.3
193.12247	38.4
211.13274	18.8
223.11424	1.3
223.13213	5.9
227.12825	9.7
229.14365	4.1
235.13359	1.5
243.12218	1.4
245.13846	2.5
245.19124	1.6
249.14931	2.7
253.14432	1.6
255.17537	1.3
263.20291	1.3
267.15884	16.3
273.18475	16.7
273.93842	1.2
276.06534	1.2
281.17136	1.3
285.16983	100.0
291.19562	59.5
291.22928	1.8
292.12396	1.3
292.20001	1.5
301.14081	1.3
308.09222	1.3
309.17075	2.5
309.20493	2.3
347.22180	4.5
363.18256	1.7
365.23242	75.2
366.23169	1.6
373.15143	4.4
383.24411	6.0
393.19022	1.8
407.24277	2.3
429.21088	6.0
435.24078	1.5
473.24823	2.1
474.29370	1.7
509.27304	3.0
527.28656	8.0
645.38129	1.2
689.36566	1.3
707.38977	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	707.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.01873	5.8
55.05513	17.5
57.03438	13.0
57.90393	1.1
61.02933	9.0
61.59045	1.2
65.03941	1.2
67.05505	28.4
69.03430	12.3
69.07074	15.6
71.01371	1.9
71.04989	4.1
73.02917	4.0
79.05497	22.9
81.03419	43.7
81.07057	30.5
81.78688	1.1
83.04988	7.6
83.08623	18.4
85.02902	17.8
85.06573	2.7
85.65298	1.1
87.04468	1.5
90.91276	1.1
91.03963	5.0
91.05484	21.5
93.07041	22.4
95.04971	16.5
95.08605	10.1
97.02898	16.2
97.06542	4.7
97.10165	11.6
98.20667	2.1
99.04453	2.7
99.08098	1.9
105.07034	19.0
107.04953	9.9
107.08586	17.3
109.02868	3.1
109.06516	5.7
109.10159	12.7
111.04453	3.1
111.08073	8.0
113.05992	1.4
115.05414	1.1
117.07016	6.7
119.04913	1.3
119.08579	18.6
121.06505	5.0
121.10149	8.7
123.04424	1.9
123.08088	7.3
123.11723	2.3
125.09619	12.4
127.03912	7.2
128.06133	1.3
129.05547	2.0
129.06995	5.8
131.00194	1.1
131.08565	11.3
133.06490	4.3
133.10139	15.4
135.08017	6.4
135.11693	3.8
137.09639	2.8
143.08556	3.1
145.04979	2.6
145.10126	6.7
147.08076	8.1
147.11665	9.1
149.09621	6.8
151.11180	4.9
152.28838	1.4
157.10110	9.7
159.08096	2.7
159.11673	3.7
161.09627	4.4
161.13263	1.5
163.06140	2.0
163.11206	3.9
165.12756	2.1
169.12234	1.1
171.10353	1.4
171.11687	2.0
173.04498	2.0
175.11215	10.4
177.09132	1.9
184.07329	2.8
185.13330	1.4
187.11316	1.3
187.13316	1.6
189.11195	6.2
189.12753	1.5
193.12247	29.8
199.11324	1.1
211.13290	23.3
213.12746	1.5
223.13228	9.3
227.12735	6.9
229.14316	2.6
235.13234	1.6
245.19029	2.5
249.14778	2.5
253.14368	6.1
255.17557	2.5
267.15851	13.7
269.13882	1.2
273.18478	17.3
278.82892	1.3
285.16959	79.2
291.19550	51.7
291.22858	1.8
309.17157	2.0
347.22189	8.8
352.52960	1.3
365.23227	100.0
366.23538	2.2
373.14999	2.6
373.65311	1.5
383.24243	5.1
393.19116	1.5
429.21310	14.3
435.23276	1.7
473.25409	2.2
491.26712	2.3
495.27911	1.4
509.27277	3.9
527.28510	17.7
527.64624	1.3
597.71545	1.2
707.38763	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	707.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01874	4.0
55.05513	4.1
57.03440	15.6
57.07058	0.5
61.02935	2.3
61.03170	0.4
65.03917	1.2
67.05506	21.2
69.03413	1.1
69.07067	3.0
69.58965	2.2
69.59377	0.8
70.28271	0.4
71.04973	1.6
73.02907	1.1
75.30840	0.5
79.05496	12.3
81.03400	1.6
81.07060	11.5
83.04954	1.2
83.08646	2.1
85.02912	2.8
85.06548	13.2
91.03912	1.7
91.05484	10.6
93.07037	9.9
95.04971	32.9
95.08614	6.2
96.42562	0.4
97.02869	1.8
97.06513	2.1
97.10160	1.0
99.04410	0.7
103.05470	0.5
105.06396	0.7
105.07030	7.0
107.04967	3.7
107.08598	8.2
109.02817	0.6
109.06522	35.3
109.10150	2.2
111.08048	1.3
113.06007	38.0
115.05466	0.7
116.06207	0.7
117.07026	6.1
119.08584	5.1
121.06522	2.9
121.10155	2.8
123.08031	2.0
128.06209	0.6
129.07019	3.3
130.07793	0.5
131.08577	10.2
133.06453	1.8
133.10135	4.4
135.08060	27.8
135.11650	3.9
137.09624	0.8
141.06990	0.9
143.08569	4.2
145.06464	0.6
145.10130	6.4
147.08046	3.0
147.11646	1.9
149.09648	3.6
149.13240	1.5
155.08446	0.7
157.10110	3.6
159.08005	1.2
159.11671	3.7
161.09631	4.9
161.13194	0.5
163.11147	2.1
165.09175	0.7
169.10109	0.7
171.11652	1.4
173.13246	1.6
175.11198	1.5
177.12750	1.8
180.06483	0.4
183.11708	0.9
185.09575	0.5
185.13306	0.9
187.11235	0.7
187.14725	0.5
189.12706	0.7
195.11713	0.4
195.13832	0.6
199.11290	0.4
199.14821	2.6
201.12750	1.2
217.15892	8.3
219.13817	0.5
227.17863	1.0
233.15347	0.9
245.18887	1.0
250.09842	0.4
255.17372	1.3
256.89124	0.5
257.04169	0.4
273.18509	15.1
291.19550	65.3
292.19955	0.9
307.19067	1.6
309.20667	0.9
338.60974	0.5
347.22183	12.7
360.06271	0.4
365.23242	100.0
366.23630	1.9
370.03674	0.5
383.11160	0.9
383.24277	3.6
467.82089	0.5
491.26459	0.5
509.26974	0.8
527.28564	1.0
560.90564	0.5
709.17603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
54.83210	0.3
55.01879	3.1
55.05513	2.7
55.28456	0.4
57.03438	16.1
57.07075	0.6
61.02924	2.3
65.03937	1.6
65.12467	0.4
67.05505	20.4
69.03425	1.4
69.07056	1.7
71.04971	2.0
71.36221	0.4
73.02929	0.7
79.05067	0.6
79.05499	9.3
81.03416	1.5
81.07050	8.4
83.04979	1.4
83.08620	1.2
85.02894	3.3
85.06544	13.8
91.03950	1.4
91.05480	9.3
93.06477	0.7
93.07041	9.6
95.04967	29.2
95.08603	5.5
97.02895	1.9
97.06497	2.0
97.10155	0.8
99.04444	0.7
103.05547	0.5
103.44890	0.4
105.07031	7.9
105.52995	0.4
107.04965	4.6
107.08595	7.3
109.02846	0.4
109.06520	27.0
109.10149	1.6
110.43354	0.3
111.08106	0.6
112.31027	0.4
113.06004	42.3
115.05453	0.9
116.06223	0.4
117.07012	5.4
119.08595	4.1
121.06548	1.9
121.10141	2.5
123.08052	1.8
123.11809	0.4
124.03902	0.4
125.02360	0.5
127.03940	0.7
128.06229	0.9
129.07016	2.8
131.08560	8.0
133.06482	1.4
133.10126	3.4
135.08058	20.8
135.11690	3.5
136.08318	0.4
136.71568	0.4
137.06013	0.5
137.09619	0.7
141.25812	0.3
142.07732	0.4
143.08559	2.9
145.06406	0.5
145.10127	5.2
147.08025	1.9
147.11656	1.3
149.09598	3.3
149.13229	0.9
155.08577	0.7
157.10120	2.8
159.08031	1.0
159.11719	2.2
161.09625	4.4
161.13225	0.9
163.11180	2.0
165.09180	0.9
169.01347	0.6
169.10104	0.8
171.11690	1.6
173.09615	0.5
173.13271	1.3
175.11171	1.2
177.12744	1.6
179.14215	0.6
181.10178	0.5
183.11708	1.1
185.13223	0.5
187.11205	0.5
189.12785	0.5
199.11168	0.6
199.14850	1.8
201.12724	0.8
217.15881	5.2
219.13867	0.6
227.17999	1.0
233.15388	1.0
237.16354	0.5
245.19138	0.9
255.17435	1.3
273.18488	10.4
273.21268	0.8
291.19537	36.4
292.19733	0.6
293.05014	0.4
300.36819	0.4
307.19070	2.5
309.20456	0.6
347.22125	4.7
365.23230	100.0
366.23587	2.0
407.24579	0.4
455.23959	0.6
491.26407	0.7
509.27579	2.5
527.28540	4.2
707.36090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.01871	6.6
55.05512	17.0
55.31157	1.1
57.03434	11.6
57.07071	1.3
61.02935	7.9
65.03950	1.8
67.05175	2.0
67.05508	25.7
69.03441	10.2
69.07073	16.2
71.04986	3.9
71.56808	1.3
73.02908	4.1
79.05067	0.7
79.05490	26.6
81.03423	34.6
81.07058	35.7
83.04990	10.6
83.08619	13.1
85.02432	1.7
85.02909	17.6
85.06538	2.6
88.48534	1.0
90.83424	1.0
91.03938	6.5
91.05479	26.3
93.07051	22.9
95.04976	15.1
95.08607	12.2
97.02887	13.4
97.06523	4.8
97.09578	1.5
97.10163	9.2
99.04488	2.5
99.08126	1.5
103.03953	1.4
105.07036	21.8
107.04959	8.7
107.08600	17.8
109.02893	3.9
109.06522	6.4
109.10159	16.9
111.04453	4.9
111.08086	6.0
113.06020	1.6
117.07008	7.1
119.04974	1.7
119.08566	12.7
121.06500	5.8
121.10162	9.6
123.04504	1.7
123.08040	6.5
123.11717	3.0
125.09623	9.6
127.03917	5.5
128.06169	1.4
129.07007	6.7
131.08586	10.1
133.06514	7.0
133.10132	20.0
135.08032	7.5
135.11674	3.5
137.06001	2.1
137.09584	3.2
143.08554	3.4
145.04939	2.4
145.06496	1.4
145.10118	7.3
147.08035	6.1
147.11703	8.2
149.09593	6.5
151.11203	6.6
153.09105	1.4
157.10118	5.7
159.08035	2.6
159.11685	2.3
161.09647	5.1
163.06017	1.3
163.11179	3.4
165.12744	1.3
167.08595	1.4
167.73387	1.2
169.12274	3.0
171.11676	1.9
175.11176	10.3
177.09102	2.4
184.07306	1.5
187.11301	1.8
189.11229	4.9
189.12717	1.8
193.10619	2.3
193.12257	24.7
199.11203	1.6
211.13310	14.7
217.12268	1.3
223.13217	6.0
227.12756	4.9
227.17802	1.6
245.13713	2.3
245.19035	2.3
249.14894	1.8
253.14375	9.4
255.17413	2.3
263.20081	2.5
267.15802	7.8
271.15427	3.4
273.18472	17.4
285.16962	57.9
291.19556	44.6
309.17072	1.7
309.20575	2.2
334.95798	1.4
347.22171	8.3
365.23245	100.0
373.15182	3.9
373.65100	1.6
374.65042	1.7
383.24265	4.3
389.23254	2.6
403.79593	1.4
407.24063	2.5
411.20093	1.6
429.21237	8.5
491.26126	2.2
509.27310	5.9
511.94260	1.3
527.28284	12.7
702.26599	1.4
707.40118	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	0.5
57.07052	0.3
58.06606	0.4
59.07367	0.2
60.08165	6.4
67.05510	0.2
69.91103	0.3
69.91500	0.6
71.07370	3.3
72.08087	0.1
73.48058	0.2
79.05446	0.2
81.07063	0.4
86.09705	29.5
87.04460	1.3
87.10013	0.2
91.05482	0.2
93.07040	0.3
95.08601	0.2
98.98464	3.0
104.10748	2.7
105.07067	0.2
119.08559	0.2
125.00005	20.2
128.04097	0.2
143.01091	0.2
157.26404	0.2
184.07338	100.0
185.07677	0.6
227.09840	0.1
336.39615	0.2
355.42279	0.2
496.34219	0.3
544.35156	0.2
609.26416	0.2
643.51190	0.2
688.45850	0.2
706.46844	9.6
707.48743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
67.81379	0.3
70.28582	1.0
72.95183	0.3
74.96145	0.2
78.46916	0.3
82.99792	1.4
93.83317	0.3
94.97433	0.2
94.99842	0.5
97.02856	0.4
101.00874	5.2
109.02867	0.3
111.72603	0.3
113.00829	1.1
116.66139	0.3
119.01913	7.5
122.01379	1.3
122.51453	0.3
125.00951	0.3
127.02391	1.7
128.01324	0.4
129.00343	0.4
129.03987	0.3
131.01891	4.5
137.00937	0.3
137.01891	1.2
137.02904	0.5
139.02373	1.1
143.01895	19.9
143.51855	0.3
144.01836	0.4
145.03470	6.5
147.01357	0.7
149.01851	0.6
152.02383	1.2
153.03909	0.3
155.01889	10.7
157.03458	4.3
158.02435	0.5
161.02959	12.8
162.03065	0.3
163.04536	0.4
164.02383	0.6
167.01878	8.8
169.03496	2.7
171.01447	0.4
171.05017	2.1
173.02959	14.7
173.53017	0.8
175.04521	0.8
179.01785	3.2
181.03482	0.4
182.03543	0.4
184.04596	0.3
185.02954	32.8
186.03081	0.4
187.04515	2.4
191.03990	0.5
194.03371	0.5
197.02946	12.4
199.04613	0.6
202.12344	0.3
203.03998	9.9
203.54085	1.0
204.04230	0.3
208.04623	0.4
209.02936	1.4
215.04019	7.0
221.05098	0.5
224.04507	0.5
227.03996	8.0
227.06160	0.4
233.05092	0.5
239.04111	0.8
245.05067	100.0
246.05278	1.7
254.05537	0.4
257.05099	5.3
263.06128	11.9
275.06110	11.6
284.06580	2.2
284.56787	0.8
286.07581	0.4
287.06180	0.5
293.07138	2.9
305.07147	12.0
317.07187	0.6
323.08148	0.3
335.08221	3.5
347.08240	1.0
364.09424	0.5
365.09286	39.1
365.59476	1.0
366.09534	0.8
383.10345	1.2
407.10330	0.7
425.11404	41.1
426.11871	0.7
437.11487	2.5
455.12515	2.9
485.13525	0.8
517.70587	0.3
527.14398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88721	1.3
53.03942	10.0
55.01875	14.6
55.05515	28.3
57.03439	14.6
57.07072	2.9
61.02914	5.1
65.03938	6.0
67.05506	82.0
69.03428	25.2
69.07072	36.1
69.29593	12.7
71.05003	12.7
73.02903	2.7
73.06587	1.8
79.05495	63.9
81.03421	53.1
81.07058	100.0
82.15714	1.5
83.04984	22.9
83.08618	20.7
85.02913	14.0
85.06547	6.1
86.09681	2.0
91.03987	2.4
91.05484	62.9
93.07046	68.8
95.04971	17.6
95.08606	44.6
97.02888	13.6
97.06532	20.9
97.10178	9.2
99.04449	6.0
99.08089	4.8
103.03951	1.8
103.05490	3.9
105.04504	2.1
105.07034	58.5
107.04952	17.0
107.08595	46.2
109.02899	12.6
109.06518	10.6
109.10145	16.7
111.04462	9.5
111.08080	6.2
113.06040	2.4
115.05449	3.4
117.07022	27.5
119.08572	37.5
121.06487	9.4
121.10147	23.0
123.08064	5.8
123.11713	9.1
125.06044	2.4
125.09652	7.7
127.03921	11.0
127.07558	1.6
128.06247	4.9
129.05478	5.2
129.06990	15.5
131.04909	2.2
131.07593	2.7
131.08566	38.2
133.06490	4.0
133.10136	34.7
135.08064	7.9
135.11678	14.2
137.05972	2.4
137.09598	3.2
141.06993	6.9
142.07788	2.5
143.08568	13.0
145.06483	7.1
145.10126	25.7
147.08061	6.0
147.11681	18.1
149.09615	19.9
149.13266	14.5
151.11185	1.9
155.08504	7.6
156.09309	1.8
157.06490	2.7
157.10115	10.9
158.34607	1.6
159.08087	3.9
159.11700	25.0
161.09605	4.9
161.13239	6.7
163.11198	7.2
163.14816	1.7
165.12814	3.9
167.08578	3.6
169.06598	1.8
169.10168	9.6
171.08052	3.1
171.11655	9.4
173.04477	14.0
173.09644	4.1
173.11899	3.1
173.13220	9.4
175.11200	6.7
175.14772	1.5
177.12799	8.7
179.14395	1.8
181.10161	5.1
183.08028	1.7
183.11699	6.7
184.07269	2.9
185.09601	3.1
185.13301	5.6
187.11235	4.5
187.14856	2.7
189.11230	1.7
189.12791	1.9
191.14223	2.1
193.10117	1.6
195.11781	3.7
195.13808	7.7
197.13307	5.5
199.11253	2.4
199.14867	3.6
201.12814	3.4
203.14336	1.9
207.11810	1.8
209.13310	2.8
211.11298	1.8
211.14825	3.5
213.16470	1.8
220.10269	1.7
227.12810	5.6
229.14217	2.4
239.18002	4.4
241.19695	1.7
247.20621	4.2
249.14705	1.9
253.18001	1.8
257.19083	11.4
258.08969	1.6
267.15936	4.9
269.17447	21.5
275.16949	3.0
275.20068	45.2
293.21161	5.7
299.23770	1.9
301.21671	1.6
313.21606	2.0
315.23126	2.2
321.16815	2.4
337.21503	2.1
339.18076	4.2
349.23776	22.0
383.21994	2.7
395.20496	4.1
401.23145	2.1
413.21698	12.0
423.27316	2.8
431.27835	1.9
433.30753	4.0
445.29514	3.1
451.31857	5.7
463.30527	2.2
469.33221	1.9
475.26920	2.6
507.34775	2.7
515.37335	6.1
525.35834	23.1
535.61267	1.8
543.36823	77.2
544.37469	2.1
561.37726	3.8
567.36963	3.3
585.37311	1.8
607.34546	3.3
613.36957	1.9
651.38733	2.6
669.39252	6.3
687.40936	30.1
705.41998	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14680	1.2
51.02366	1.4
53.03944	6.7
55.01878	5.3
55.05267	1.4
55.05511	18.2
56.96544	1.5
57.03442	6.6
57.07066	1.7
60.08162	2.3
60.51706	1.0
61.02932	11.0
61.47369	1.0
65.03933	2.8
67.05505	34.4
69.03437	11.9
69.06796	1.0
69.07069	11.0
70.66948	2.2
70.67317	2.5
71.01347	1.0
71.04987	6.3
71.07357	1.4
73.02916	6.3
79.05065	1.9
79.05495	27.3
81.02930	1.3
81.03416	31.4
81.07055	36.0
83.04967	9.0
83.08616	11.9
85.02901	16.3
85.03386	1.9
85.06553	2.2
86.09708	10.6
87.04464	1.3
91.03965	5.2
91.05479	30.7
93.06479	1.8
93.07044	28.5
95.04967	12.0
95.08611	17.6
95.09180	2.1
96.56676	1.0
97.02882	13.8
97.06521	4.5
97.10163	9.0
99.04431	3.0
101.02352	1.5
103.05460	2.0
105.07030	29.4
107.04948	6.2
107.08606	16.8
109.02861	3.2
109.06506	3.6
109.10156	10.6
111.04421	4.5
111.08057	5.2
115.05430	2.7
117.07021	13.7
119.07801	1.8
119.08582	22.2
121.06499	3.5
121.10139	11.5
123.08038	3.1
123.11684	3.5
125.00009	7.6
125.09596	6.6
125.81248	1.0
126.68387	1.0
127.03910	3.3
128.06212	3.5
129.05466	1.9
129.07008	11.1
131.08565	20.9
133.06482	2.3
133.10132	16.3
135.08054	5.4
135.11688	7.3
137.09608	2.2
141.06975	3.4
142.07764	2.3
143.08563	12.1
143.09592	1.8
145.06482	2.8
145.10127	17.6
147.08023	2.4
147.11659	14.0
149.09601	4.3
149.13275	3.2
153.09097	1.2
153.12743	1.3
154.07695	1.9
155.08540	8.7
157.06448	2.0
157.10143	10.0
159.08069	2.9
159.11691	11.1
161.09641	2.2
161.13269	5.3
163.11192	3.8
165.07031	1.2
167.08539	3.2
169.10095	7.0
169.12300	1.2
171.08014	2.3
171.11659	10.1
173.04449	3.3
173.09605	2.0
173.11832	1.8
173.13173	5.9
175.11185	3.4
175.14825	3.0
179.08493	2.1
181.10124	4.9
181.12196	1.3
183.08008	1.3
183.11751	5.5
184.07335	33.2
185.07677	4.2
185.09515	2.3
185.13219	6.9
187.11147	3.0
187.13232	1.4
187.14769	2.6
189.11205	3.1
189.12711	1.9
191.10605	2.0
193.10495	1.5
193.12250	8.6
195.11771	5.4
195.13397	1.1
197.13239	4.4
199.14847	3.3
201.12689	1.6
207.11723	1.5
209.13289	4.1
211.13214	9.7
213.12816	1.6
213.16310	1.7
219.11577	2.0
221.13231	1.9
223.14777	1.9
225.12714	1.2
225.16371	1.6
227.12744	3.9
229.14276	2.6
239.14308	1.3
239.18158	1.3
241.19516	5.7
257.19009	1.6
259.20514	9.4
267.15826	2.6
275.20200	5.2
281.18973	1.6
283.20557	3.5
285.17050	4.2
297.21973	1.7
299.20242	1.6
299.23679	4.0
301.21613	2.2
313.21512	1.8
315.23273	1.9
325.21671	1.5
333.24429	6.7
335.25681	1.6
337.16968	1.2
337.21475	1.7
339.23221	1.5
343.22720	1.5
349.24139	1.3
357.24203	2.2
367.22519	1.4
371.25989	1.7
379.26266	1.3
385.23703	2.2
403.24835	1.6
413.21747	1.2
415.29977	1.9
421.25708	3.1
429.21283	1.9
433.30936	4.5
435.27438	1.9
451.32111	8.4
469.33008	4.0
507.34894	2.5
515.37415	1.5
518.31799	1.4
523.98749	1.3
525.35675	23.6
526.36273	1.5
541.34589	1.5
543.36786	100.0
544.36969	3.9
561.37238	1.5
585.37396	3.2
639.38928	1.3
651.38953	5.7
669.39661	5.2
677.39911	1.8
687.40741	11.6
705.31860	21.3
705.41486	22.8
706.31976	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92231	1.5
55.05494	3.2
56.05035	2.1
58.05541	1.3
59.79017	1.4
66.36525	1.5
69.03429	3.5
70.06576	2.3
71.49248	1.3
71.55649	2.3
81.03416	3.5
82.06129	1.7
82.06583	27.8
84.04506	14.3
84.04984	2.2
84.08128	5.3
85.90520	1.5
96.04501	15.5
97.02884	3.0
98.06066	8.3
98.97600	4.0
99.04487	1.6
100.07643	1.7
102.05553	2.3
103.93835	1.4
109.02875	3.9
116.07124	8.2
126.05526	17.8
128.07082	100.0
130.04970	2.1
138.05504	85.5
144.06549	20.1
145.09764	3.3
147.07611	2.1
156.06512	1.7
168.06551	16.1
170.77596	1.3
173.09218	66.9
185.09241	19.1
186.07626	12.2
193.09760	2.1
219.01726	2.5
226.38203	1.5
230.11554	3.2
237.02898	1.8
239.10271	17.5
248.12444	34.0
257.11276	2.5
284.12524	3.9
301.13953	13.6
302.13455	47.0
314.13492	4.4
329.13345	11.2
333.10318	1.7
377.12192	2.6
377.16672	29.4
427.18021	2.3
445.19397	9.3
520.22467	21.1
537.31580	1.7
630.25677	3.2
705.17407	1.7
705.29480	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89855	0.1
55.05512	0.2
56.05040	0.7
57.07066	0.2
58.06620	0.4
59.06094	0.1
59.07388	0.1
60.08165	6.1
67.05489	0.4
69.07041	0.2
69.71320	0.7
71.07372	2.9
71.59145	0.1
72.08133	0.1
79.05488	0.3
79.81804	0.1
81.03397	0.2
81.07048	0.4
81.11617	0.1
83.08639	0.1
85.07693	0.1
85.58287	0.1
86.09704	29.0
87.10023	0.2
89.06014	0.3
91.05477	0.3
93.07027	0.2
95.08614	0.2
97.06510	0.2
98.97860	0.2
98.98460	2.8
101.92821	0.1
104.10736	2.5
105.07011	0.2
107.08568	0.1
109.10180	0.2
117.97891	0.1
119.08530	0.1
122.79472	0.1
125.00002	19.5
133.08646	0.3
143.01065	0.1
166.02669	0.1
184.07336	100.0
185.07664	0.6
510.12787	0.1
519.40234	0.2
531.82007	0.1
573.48810	0.4
656.44891	0.3
670.29169	0.1
702.47040	8.4
703.47510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.7
57.07061	0.3
57.74815	0.1
58.06627	0.6
60.08163	6.7
64.14310	0.1
67.05511	0.2
70.95895	0.2
70.96247	0.3
71.07374	3.6
74.26045	0.1
77.00742	0.1
78.41859	0.1
79.05476	0.1
80.25786	0.1
81.07047	0.3
83.08608	0.2
86.09703	33.8
89.06016	0.2
93.07043	0.2
95.08626	0.3
98.98459	3.0
104.10748	3.0
107.08637	0.2
113.88968	0.1
118.40270	0.1
125.00003	22.2
135.11742	0.2
143.01024	0.2
161.87012	0.1
163.11249	0.2
184.07335	100.0
185.07730	0.6
227.12767	0.2
241.56628	0.1
466.22253	0.2
496.34338	0.2
704.44940	18.1
705.45593	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.8
57.07069	0.2
58.06357	0.2
58.06628	0.4
59.07415	0.1
60.08163	7.2
66.71345	0.1
67.05499	0.2
69.26557	1.1
70.06590	0.1
71.07374	3.8
71.08632	0.2
78.15476	0.1
79.05475	0.2
81.07046	0.3
86.09703	34.9
89.06026	0.3
91.05489	0.2
93.07044	0.2
95.08607	0.1
98.98465	3.5
100.11339	0.1
104.10743	2.9
105.07028	0.2
119.08592	0.1
121.78063	0.1
125.00002	23.8
143.01060	0.1
166.02661	0.2
184.07335	100.0
185.07652	0.4
312.10147	0.1
446.22681	0.1
541.27692	0.1
552.25452	0.1
580.25836	0.2
591.56158	0.1
612.29114	0.3
656.45093	0.2
670.29205	0.7
702.31628	4.6
702.46362	9.7
703.32703	0.2
703.46399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01880	1.7
55.05515	15.4
55.66779	1.2
56.96556	1.5
57.03436	9.7
57.07080	2.8
59.05001	3.1
61.02918	3.5
65.03928	2.9
66.60140	1.2
67.05506	100.0
69.03419	4.1
69.07067	12.5
70.06570	1.2
71.04984	3.9
71.56628	2.2
73.02913	1.3
75.23424	1.1
78.36764	1.3
79.05497	31.9
81.03410	4.8
81.07059	33.6
83.04983	4.4
83.08623	8.0
85.02892	4.8
85.06534	4.0
86.09712	2.1
86.28043	1.4
90.98318	1.7
91.03956	3.0
91.05479	39.4
91.06014	2.7
93.07051	36.5
95.04975	3.8
95.08617	18.3
97.02879	3.5
97.06527	3.7
97.10148	3.0
99.08092	2.0
105.07034	37.1
107.08601	20.1
109.06576	1.9
109.10157	74.9
111.08083	4.0
117.07019	14.4
119.08580	39.7
120.02105	1.3
121.10143	13.4
123.08036	1.7
123.11663	2.5
125.09618	2.8
128.06183	1.5
129.06999	8.4
131.08580	12.1
133.10130	28.7
135.08090	2.1
135.11714	12.8
137.05969	3.2
137.09627	5.9
139.68611	1.3
143.08528	7.3
145.10104	10.9
147.08075	1.3
147.11694	27.0
149.09581	3.3
149.13275	6.5
155.08614	2.7
155.10669	5.5
157.10135	6.6
159.11662	12.2
161.13263	15.5
169.10123	1.7
171.11671	8.3
173.11740	18.6
173.13264	5.6
175.14803	8.2
183.11748	1.8
184.07350	3.1
185.13258	8.7
187.14809	2.6
189.11273	1.7
193.05022	1.4
195.11668	1.5
199.14851	3.8
201.08978	1.5
227.12737	8.5
229.14354	74.2
231.17433	1.5
231.21098	4.7
241.19539	20.3
259.20584	67.8
261.22141	3.4
315.23077	4.6
333.24243	50.1
351.25214	1.6
395.29285	1.4
413.30383	2.0
459.60251	1.3
487.34210	28.5
505.35248	29.3
522.35925	1.5
595.35986	1.8
702.37787	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	701.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76944	0.2
55.05503	0.2
67.05495	0.9
69.07057	0.4
73.88929	0.2
79.05491	0.5
81.03422	0.4
81.07057	0.7
81.92738	0.2
86.09724	0.6
91.05518	0.4
93.07060	0.4
95.08616	0.4
97.06544	0.2
98.20788	0.5
105.07057	0.5
107.08569	0.5
109.06514	0.3
109.10113	0.5
110.10509	0.2
117.07007	0.2
133.10149	0.5
136.27827	0.2
176.51761	0.3
184.07335	0.4
185.04330	0.8
185.11040	0.2
229.20795	0.2
259.08002	0.7
272.72168	0.2
299.23041	0.2
321.22693	0.5
324.53094	0.3
347.09564	1.0
504.34210	0.8
539.31915	20.6
540.32452	0.7
569.89209	0.2
701.37177	100.0
702.37488	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	701.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.8
55.72009	0.3
56.96548	0.5
57.03435	0.3
61.02902	0.3
67.05505	2.6
69.03426	0.6
69.07072	0.6
71.00503	0.7
79.05489	0.9
81.07058	1.4
82.01603	0.3
83.08617	0.4
85.02888	0.4
90.65134	0.3
91.03970	0.3
91.05499	1.3
93.07047	0.9
95.08611	1.0
97.02886	0.7
97.10162	0.3
98.97566	0.3
105.07047	1.1
107.08604	0.3
109.10157	1.1
119.01946	0.3
119.08602	1.0
121.10138	0.5
129.06979	0.3
133.10167	0.6
135.11768	0.4
147.11670	0.4
157.10114	0.5
158.03435	0.3
179.42091	0.4
185.04247	0.7
203.05287	2.1
229.07533	0.8
229.14357	0.5
245.06018	0.3
247.08492	0.7
259.07950	1.4
259.20670	0.7
321.23074	0.3
333.17203	0.6
347.09598	1.1
353.18051	1.4
359.17175	0.5
361.67233	0.5
365.10602	3.4
421.13135	1.5
453.44281	0.3
539.31842	21.1
540.32294	0.5
640.07343	0.4
701.37134	100.0
702.37567	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	701.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.1
59.06116	1.0
71.00573	1.7
81.07067	0.9
83.08630	3.1
85.07671	1.0
93.07055	0.8
95.08659	0.7
98.03902	0.7
99.75236	0.7
105.07020	0.9
111.08076	7.4
112.19530	0.6
129.09138	1.8
146.86928	0.7
148.07526	0.6
175.68971	0.7
223.12242	0.7
224.13081	0.8
237.13792	0.8
238.14760	1.7
239.15901	0.7
261.13962	0.8
293.11603	1.5
314.16727	0.7
377.17685	0.8
393.21252	1.3
394.19370	0.6
409.20499	1.3
421.19876	1.6
423.22162	6.2
435.22101	1.2
436.22864	1.5
437.23566	4.6
438.24466	1.3
448.18536	1.0
463.20975	1.3
464.22055	1.4
465.22928	1.0
468.24500	0.8
475.22031	1.8
480.21396	1.2
491.20230	1.5
492.21899	1.7
507.23831	1.1
509.25751	1.3
519.23792	1.2
521.25232	0.9
523.27478	3.9
524.27728	1.5
529.35010	0.9
535.23578	1.2
539.26794	1.4
549.24664	0.9
550.24487	1.2
551.26892	3.7
561.25244	1.1
566.25342	0.9
577.24207	1.1
578.25024	1.2
579.26141	4.3
580.26465	1.0
581.27307	0.8
589.24176	1.0
589.48315	1.0
595.25031	0.9
605.24066	1.4
610.27606	2.3
611.28632	7.5
612.26520	0.7
637.26453	2.3
642.30280	0.7
651.28247	6.9
655.27618	2.3
669.29205	17.7
670.29419	1.1
701.31799	100.0
702.31702	3.0
733.07153	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	1.4
69.07072	0.9
69.90260	3.0
79.05502	1.0
81.03384	0.9
81.07054	1.8
83.04976	0.8
86.09690	0.9
91.05473	1.4
91.46773	0.7
93.07066	0.8
95.04941	1.3
95.08641	0.8
97.06554	1.9
105.07050	1.1
107.08566	1.0
109.10152	0.8
117.07022	0.8
123.04430	0.8
125.00044	1.3
184.07355	5.0
187.45181	0.6
235.12971	1.6
237.13954	1.0
238.02533	0.8
238.14958	1.0
238.17967	1.3
279.12183	1.2
306.89044	0.9
317.17297	0.8
362.53247	0.9
367.19519	1.0
405.21130	0.7
407.22858	0.9
423.21909	5.8
435.22217	0.8
437.23654	2.4
438.24246	1.5
457.88037	0.8
463.21085	0.9
467.24542	1.2
475.21298	1.2
491.21014	1.7
492.21234	1.2
507.24075	1.2
521.25348	1.0
523.26624	2.6
524.28094	0.9
532.61505	0.9
539.26355	1.4
551.26898	3.0
553.24371	0.8
567.26447	1.0
579.26312	3.6
595.25745	1.3
599.28638	0.9
611.28845	5.9
655.27911	2.4
655.43445	1.5
669.29242	11.5
670.29401	0.8
701.31830	100.0
702.32703	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	700.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
54.03461	0.8
55.01871	0.6
56.96535	0.2
57.03436	0.2
61.02901	0.4
65.03956	0.3
68.99799	0.4
69.03432	1.9
69.07059	0.6
70.10767	0.7
73.02914	0.4
79.05502	0.4
80.05016	0.9
81.03429	2.4
85.02906	2.8
86.06035	0.2
87.00818	0.9
88.79035	0.2
91.05473	0.6
93.07068	0.2
95.04942	0.3
95.08628	0.2
97.02906	1.2
97.06535	3.3
98.21494	0.2
98.97578	0.3
99.04449	0.7
101.62238	0.2
103.05482	0.2
104.04971	0.2
105.01844	1.0
105.07015	0.3
107.08620	0.3
108.04487	0.3
109.02884	2.0
109.10147	0.3
115.03972	0.2
117.01853	0.2
120.04449	0.4
121.02879	0.7
123.04396	0.3
127.03925	3.2
129.01817	0.2
131.04919	0.4
132.04451	0.5
133.06458	0.2
135.04401	0.3
137.02350	21.5
137.03395	1.6
137.05980	2.3
145.04970	1.4
146.06032	0.5
147.04422	0.4
148.03903	0.2
149.02380	0.3
149.05952	0.2
155.04929	0.4
158.06018	0.2
159.02901	1.2
159.04549	0.3
163.03923	0.7
171.04510	0.3
172.07573	0.2
174.05574	0.6
183.04390	0.5
184.07454	0.2
187.03947	1.3
189.03911	0.2
189.09132	0.4
191.03307	0.2
199.03870	0.7
200.04755	0.3
200.07140	0.2
201.05492	1.4
203.03403	0.6
207.08156	0.3
210.05487	0.2
211.03915	3.1
212.07089	0.6
213.02014	0.3
213.05499	0.4
214.05028	0.4
215.03442	2.4
224.07063	0.2
227.03424	1.8
228.06436	0.4
229.04939	0.8
231.05042	0.9
233.11713	2.6
235.07616	0.4
238.05023	0.4
239.03503	0.5
240.06558	0.5
241.05019	0.3
242.04564	0.4
247.07568	0.3
250.14380	3.3
252.06467	0.3
253.08510	0.4
255.02921	0.4
256.06015	1.3
257.04459	0.3
263.06967	0.7
264.15970	0.9
266.04459	0.8
268.05945	0.2
275.06937	0.4
280.06009	0.3
281.08142	0.8
284.05527	1.2
287.05521	0.3
291.06506	0.7
293.07953	0.3
303.06323	0.5
308.09213	0.2
309.07565	0.7
311.05627	0.5
315.05066	0.8
319.06137	0.7
321.07523	0.7
323.05490	0.3
325.07022	0.6
331.06015	0.4
332.09317	0.4
336.08780	0.4
337.07104	1.4
339.05035	1.0
349.06992	1.4
350.10431	0.4
353.06656	2.0
360.08588	0.4
361.06921	0.6
363.04880	3.0
364.08585	1.0
365.06570	20.1
366.07251	0.7
376.05481	0.5
377.06561	22.0
378.06616	1.2
378.10254	0.7
379.03995	0.4
379.08563	1.2
380.07758	0.6
381.06049	0.8
388.08200	0.5
389.06406	1.8
391.07535	1.8
392.07742	1.8
393.06058	0.5
404.07578	0.7
405.05969	4.4
406.09290	16.5
407.08655	0.4
409.05417	2.1
416.07587	1.1
419.06424	1.3
423.07306	0.7
424.10226	2.0
434.08719	100.0
435.08917	2.4
452.09766	20.9
453.10278	0.4
464.09991	0.4
476.09732	0.9
490.11548	0.3
518.10669	0.9
542.10638	0.3
603.52484	0.2
638.14435	0.5
646.11359	0.2
654.14691	1.1
664.12909	1.5
682.14032	17.3
683.13074	0.5
700.15186	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	696.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.05277	1.1
55.05515	16.3
57.03434	7.2
57.07072	8.9
61.02927	23.1
65.03946	1.8
67.05505	63.9
68.69619	1.1
69.03412	4.1
69.07069	23.2
70.07204	3.0
71.04984	0.9
71.08637	4.9
73.02920	8.9
75.04491	1.1
79.05064	1.5
79.05492	17.8
81.03403	1.7
81.07058	82.3
83.04985	1.7
83.08160	1.0
83.08623	19.4
85.02908	26.0
85.06532	3.2
85.10161	2.7
91.03960	25.2
91.05479	14.0
93.07048	19.0
93.07632	1.4
95.05020	1.4
95.08608	74.1
97.02894	13.2
97.06526	7.2
97.10175	12.3
98.20847	1.7
99.04440	1.5
99.08089	4.5
103.03977	1.0
105.07030	8.3
107.08584	16.9
109.10156	32.8
110.10502	1.1
111.08082	4.1
111.11708	3.5
113.09651	2.2
119.08577	12.6
121.10138	21.3
123.11716	18.6
125.09647	2.4
125.13274	2.0
127.03922	10.3
127.11180	1.9
128.49890	0.9
129.68248	0.8
133.10132	14.1
135.11681	10.7
135.27818	0.9
137.09624	1.2
137.13248	8.2
141.12756	2.7
145.04997	10.7
147.11691	11.0
149.13260	8.3
151.11186	1.5
151.14809	5.9
151.25647	0.9
155.14268	3.3
159.11736	1.0
161.13258	13.9
163.06013	19.1
163.14822	9.1
165.12737	1.4
165.16364	10.0
175.14787	8.7
177.16315	1.6
179.14278	1.2
179.17981	8.2
181.15858	1.1
189.16377	4.9
193.15944	1.3
203.17924	2.1
207.17464	1.9
217.19469	2.4
245.22644	62.7
246.22981	1.6
263.23700	100.0
264.24167	1.1
265.25272	1.6
281.24765	4.0
337.27353	69.5
338.27786	1.1
355.28436	15.7
436.96515	1.0
499.32645	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	696.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.05257	1.1
55.05511	11.3
56.96551	1.6
57.03437	4.3
57.07076	5.7
57.94183	0.9
61.02927	17.1
64.23292	0.7
65.03924	1.2
67.05505	44.9
67.25240	0.8
69.03435	3.8
69.06733	1.0
69.07073	14.7
71.04984	0.9
71.08614	2.2
71.56783	0.9
73.02917	7.7
79.05063	1.0
79.05494	12.5
81.03407	1.4
81.07056	52.0
83.04980	1.3
83.08622	11.6
85.02908	24.0
85.06520	1.3
85.10173	1.8
91.03410	1.1
91.03957	21.2
91.05473	10.1
93.07046	17.0
95.08607	48.8
97.02894	9.3
97.06546	5.0
97.10170	7.9
98.97568	2.7
99.04459	1.2
99.08087	2.8
105.02090	1.1
105.07034	8.1
107.08590	12.0
109.10159	26.7
111.08054	1.9
111.11700	2.8
113.09641	1.2
116.93277	0.8
116.98582	1.0
119.08582	8.0
121.09318	1.3
121.10141	15.3
122.29208	0.7
123.11703	13.9
125.09614	1.2
125.13237	1.0
127.03930	7.5
127.11204	1.1
131.00186	4.4
131.08557	0.9
133.10130	10.3
135.11697	9.8
137.13254	6.7
137.48225	0.8
139.11208	1.3
141.12717	3.0
145.04965	9.6
147.03113	3.1
147.11667	7.7
149.01224	5.8
149.13278	7.3
151.14821	3.7
155.14299	2.2
156.03616	6.3
158.99689	1.0
159.11754	0.7
161.13246	10.4
163.04715	1.4
163.06021	21.3
163.14796	8.6
165.16385	8.5
167.54428	3.1
169.65627	0.7
175.14822	7.0
177.16411	2.0
179.14264	1.2
179.17944	8.3
181.15887	1.2
189.16386	3.0
191.02321	0.9
193.15797	1.0
203.17978	1.1
217.19507	1.6
245.22646	57.2
246.23085	1.0
255.08990	0.7
259.19098	0.8
263.23706	100.0
264.24152	1.3
265.25162	2.0
277.13815	5.2
281.24734	3.8
293.05414	1.3
317.18024	2.4
320.24747	0.8
331.15860	1.1
335.18906	1.1
337.27362	40.4
338.27652	0.8
349.16754	3.4
355.28448	13.6
390.19601	0.8
411.69101	0.8
439.24188	2.4
453.26672	1.3
471.47708	0.8
499.32654	1.1
534.29474	29.6
534.79700	12.8
613.91650	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11586	0.4
53.03930	2.0
55.01876	6.8
55.05510	4.8
57.03432	1.8
58.40649	0.5
61.02913	1.8
67.05503	10.9
69.03417	1.1
69.07065	12.0
71.04973	1.0
73.02917	0.7
77.03922	0.6
79.05081	0.7
79.05495	9.8
81.03414	5.1
81.07056	15.8
81.07500	0.5
83.04978	3.3
83.08598	2.4
85.02894	1.9
85.06556	0.6
91.03922	1.3
91.05479	15.0
93.07040	12.9
95.01337	3.1
95.04970	3.3
95.08607	9.5
97.02890	1.2
97.05920	0.8
97.06525	11.5
97.10152	1.7
98.21121	2.9
103.05506	0.5
105.07027	23.3
107.04957	6.7
107.08588	5.8
109.06514	1.4
109.10145	3.0
111.08089	1.0
117.07023	4.9
119.04929	0.6
119.08578	12.4
121.06485	1.2
121.10132	2.9
123.04431	1.2
123.08034	1.8
125.09623	1.2
127.03901	0.9
129.06984	0.6
131.08566	6.8
133.10127	14.2
135.08028	1.5
135.11685	2.4
137.09645	0.8
137.13264	0.5
138.91898	0.4
139.07494	0.7
139.11237	0.5
141.06941	0.6
143.08530	1.4
145.06525	0.8
145.10130	4.7
147.11681	5.4
149.09601	3.6
149.13222	1.6
151.11189	1.0
157.10118	1.3
158.13406	0.4
159.11678	4.3
161.09587	0.6
161.13205	1.9
163.11157	1.6
165.09201	0.8
168.09451	0.4
168.45348	0.5
169.10101	0.8
171.11778	0.7
173.13242	0.7
177.12724	1.8
179.14299	4.7
183.11713	0.7
184.07474	0.7
185.13350	0.6
187.11174	1.6
195.13808	0.6
197.13220	0.6
205.12260	0.6
229.19469	0.5
236.86302	0.5
241.07256	0.4
242.76648	0.5
247.16966	0.5
247.20541	1.3
257.19006	2.0
264.95163	0.5
269.17429	0.9
275.20062	26.7
276.20355	0.6
287.05524	1.2
293.21124	1.0
349.23724	100.0
350.24051	2.0
365.15482	0.7
367.18011	0.7
367.24771	2.6
449.18616	0.5
449.33221	0.4
457.18851	0.7
479.16864	1.6
483.12949	0.7
484.13828	1.2
493.27783	0.6
498.15015	1.2
511.19406	1.0
511.28568	1.0
512.17145	1.1
513.17804	3.3
523.16278	0.9
527.19244	0.8
529.20795	2.0
601.23730	0.5
691.26117	12.4
691.37097	0.7
692.26141	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.3
54.03989	0.4
55.01875	5.9
55.02112	0.4
55.05471	4.1
57.03439	2.0
61.02929	2.4
64.68591	0.4
65.03921	0.5
67.05508	10.8
69.03392	1.3
69.07071	12.4
69.07410	0.5
71.04952	0.6
72.71454	0.3
78.07929	0.3
78.53472	0.3
79.05498	10.3
81.03416	5.7
81.07059	15.9
83.04988	2.7
83.08608	2.0
85.02903	2.0
91.03917	1.2
91.05483	13.1
93.07045	11.4
95.01328	3.6
95.04982	3.0
95.08608	10.0
97.02845	1.5
97.06535	11.2
97.10130	1.1
99.08043	0.5
100.77219	0.3
105.07034	19.8
107.04319	0.6
107.04961	7.3
107.07889	0.3
107.08599	5.7
109.02840	0.5
109.06492	1.2
109.10159	2.8
111.04393	0.8
111.08038	0.7
115.05400	0.6
117.07027	4.4
119.04889	0.5
119.08584	10.5
120.08854	0.3
121.06509	1.9
121.10139	2.6
123.04378	1.1
123.08107	2.4
123.11638	0.8
125.09584	0.6
125.13760	0.3
127.03893	0.6
128.06177	0.4
129.06960	0.9
131.07750	0.5
131.08571	6.3
133.06474	0.7
133.10129	12.1
135.08029	1.2
135.11697	3.0
137.09593	0.4
139.07489	0.5
141.06978	0.8
143.08565	1.1
145.04912	0.5
145.06493	1.6
145.07477	0.3
145.10124	4.9
147.08040	0.5
147.11676	4.8
149.09654	2.3
149.13281	1.7
151.11131	0.7
154.07738	0.4
155.08513	0.4
157.10075	1.0
159.07994	0.6
159.10475	0.4
159.11697	4.8
160.61034	0.3
161.09624	0.4
161.13232	1.5
163.11194	1.9
165.09000	0.6
165.49028	0.3
169.10088	1.1
171.11694	0.7
173.13211	1.5
174.84015	0.3
175.11163	0.4
177.12753	1.5
179.14297	4.9
183.11702	0.8
187.11191	1.8
187.14838	0.5
193.33333	0.4
197.13345	0.5
202.73734	0.3
207.13808	0.4
212.46013	0.4
223.13321	0.4
229.04178	0.3
229.19487	0.6
233.15289	0.6
239.18042	0.4
241.14378	0.4
247.20580	0.7
257.19046	1.9
275.20059	18.3
276.20361	0.6
287.05420	0.5
293.21149	1.3
345.73749	0.4
349.23734	100.0
350.24097	2.8
365.15436	1.4
377.23062	0.4
391.25113	0.5
430.16925	0.3
431.16751	0.4
443.17395	0.5
457.19360	0.8
457.25574	0.6
479.17114	0.9
483.12979	0.6
484.13550	1.7
493.28073	1.3
497.15073	1.0
498.15479	1.1
499.15933	0.9
511.29037	2.9
512.17169	1.3
513.17749	4.6
514.18341	1.1
523.16547	1.4
525.17755	0.5
526.18860	0.5
527.19342	1.3
529.20740	2.0
555.19183	0.4
573.23706	0.4
599.20831	0.6
601.22821	1.4
614.23364	0.4
659.23132	0.4
660.24249	0.7
691.26105	23.3
692.26410	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	691.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.0
55.01668	1.1
55.01873	11.7
55.05267	1.7
55.05510	18.2
55.92862	1.1
57.03443	7.2
61.02649	1.5
61.02930	23.2
63.19843	1.2
65.03934	2.3
67.05506	30.9
69.03433	12.5
69.07076	14.2
69.29535	11.2
69.99310	1.1
71.04969	3.3
73.02918	8.4
79.05496	31.3
81.03427	12.1
81.07059	29.6
83.04988	6.0
83.08629	10.1
85.02905	26.8
85.06547	1.5
91.03949	12.5
91.04906	1.4
91.05486	26.3
92.25504	1.3
93.06479	1.9
93.07043	29.1
95.04976	8.0
95.08609	16.1
97.02901	15.3
97.05928	1.5
97.06535	19.0
97.10178	14.5
99.04427	2.3
99.08109	2.4
101.02382	1.1
103.03954	1.3
105.07035	26.7
107.04957	11.0
107.08597	33.5
109.02888	4.8
109.06517	3.6
109.10143	14.8
111.04443	1.2
111.08087	3.1
115.03904	2.1
117.07013	11.3
119.08572	18.0
121.06503	3.2
121.10139	11.3
123.04514	1.5
123.08060	3.8
123.11675	3.4
125.09641	15.2
127.03905	10.2
129.05453	1.8
129.06993	4.2
131.08565	13.7
133.06555	2.4
133.10135	18.2
135.08031	4.1
135.11667	4.2
137.09619	3.3
139.07530	1.8
143.08525	3.7
145.04933	5.4
145.10129	17.6
147.11687	11.2
149.09612	14.5
149.13213	4.0
151.11169	2.3
153.09047	2.3
155.08577	1.6
157.10135	2.7
159.08134	1.9
159.11700	13.0
161.09596	2.2
161.13278	5.6
163.05989	3.4
163.07266	1.6
163.11169	7.7
169.10063	3.0
171.10120	5.3
171.11674	4.4
173.04504	1.7
173.11838	2.2
173.13232	6.2
175.11276	2.7
177.12723	6.7
179.14301	4.6
183.11687	2.9
187.11189	1.6
187.13231	2.2
187.14758	1.6
189.11249	11.6
191.14357	1.4
195.13838	1.4
197.13237	2.9
199.09686	1.2
201.12915	1.7
207.10048	1.4
213.12741	1.3
219.13811	1.9
227.12769	17.3
229.12114	1.8
229.14276	11.6
229.19505	1.5
239.17874	4.3
245.13861	12.1
247.20728	1.7
253.17973	4.2
257.19028	13.4
269.17487	22.9
275.20081	50.8
293.21021	2.8
297.16949	1.7
309.20508	1.5
341.21420	1.4
349.23740	100.0
350.24130	2.0
367.24771	40.3
373.23810	1.5
376.44348	1.4
389.18250	1.8
391.24893	6.3
413.21780	1.6
419.24374	1.5
433.25677	3.6
457.25677	2.0
475.26730	2.7
493.27786	4.8
511.29068	10.0
529.29956	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	691.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91793	1.0
52.77872	1.1
53.03934	3.3
55.01870	14.3
55.05264	1.5
55.05510	19.5
57.03440	11.5
57.32698	0.9
61.02926	22.9
65.03935	1.5
67.05504	31.3
69.03429	10.8
69.06731	1.5
69.07072	18.3
71.01360	1.3
71.04981	2.9
72.74691	1.0
73.02917	8.9
79.05492	29.9
81.03417	11.5
81.07056	33.4
83.04995	6.8
83.08614	10.2
85.02901	24.6
85.03375	2.1
91.03970	12.1
91.05479	22.9
93.07043	27.5
95.01376	1.4
95.04969	6.4
95.08604	14.5
97.02901	20.6
97.06524	15.0
97.10163	18.4
99.04452	4.0
101.02395	1.3
102.52417	0.9
103.03963	1.2
105.07029	23.5
107.04955	8.2
107.08593	33.6
109.02873	4.0
109.06522	2.9
109.10153	14.7
111.04495	1.1
111.08073	3.4
115.03940	2.3
117.07027	10.1
119.04955	1.4
119.08578	16.1
121.06493	4.2
121.10143	10.3
123.04449	1.1
123.08063	3.1
123.11684	4.2
125.09622	16.7
127.03910	10.7
129.07011	3.1
131.08557	12.3
133.06459	1.6
133.10135	14.7
135.08054	4.9
135.11674	5.4
137.09601	3.0
141.06999	1.4
143.08556	2.8
145.04942	4.8
145.06509	1.2
145.10098	11.3
147.08034	2.8
147.11687	9.1
149.09613	15.1
149.13232	3.6
151.11296	1.2
155.08514	1.7
155.10645	1.5
157.10179	2.6
159.11719	11.2
161.09601	2.0
161.13300	3.3
163.06053	2.5
163.11197	7.7
165.09229	1.2
169.10078	2.3
171.10159	7.9
171.11694	3.1
173.11771	2.6
173.13274	5.3
175.11172	1.9
177.12672	5.2
179.14285	2.6
181.08606	1.0
183.06523	2.0
183.11707	3.2
185.13289	1.2
187.11220	1.6
187.13289	2.6
189.11221	15.0
189.12758	2.2
195.13808	1.9
197.13275	1.1
201.07503	1.5
205.12410	1.1
227.12784	22.4
229.14333	8.6
229.19548	2.0
233.15327	1.3
239.17986	4.0
243.15991	1.3
245.13785	9.7
247.20561	1.3
249.11214	1.2
253.18039	3.3
257.19034	11.9
269.17496	12.5
275.20062	39.8
293.21182	4.1
309.20419	1.2
331.22708	2.2
345.72110	1.2
349.23724	100.0
350.24261	1.9
367.24805	23.8
373.23590	1.1
373.70001	1.1
389.18103	2.8
391.25037	6.2
395.20584	1.8
413.21698	3.7
433.25848	1.6
438.48380	1.4
457.26215	1.6
493.27875	6.1
511.29080	9.6
529.30280	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01870	0.9
55.05502	1.6
57.03429	1.5
61.02937	1.7
64.64278	0.3
67.05512	2.7
69.03435	0.6
69.07074	2.5
69.59980	1.8
73.02912	0.7
79.05489	2.8
81.03419	1.6
81.07063	4.7
82.83836	0.4
83.04990	0.8
83.08625	1.2
85.02901	2.3
85.06514	0.4
91.03904	0.8
91.05489	3.8
93.07047	3.6
95.01374	0.4
95.04971	1.2
95.08604	3.3
97.02892	1.6
97.06546	1.8
97.10178	0.4
99.08125	0.5
105.07040	4.2
107.04961	1.9
107.08598	2.4
109.06538	1.0
109.10172	1.0
111.08057	0.6
117.07040	1.4
119.08604	3.3
121.06507	0.4
121.10150	1.2
123.08082	0.8
127.03944	0.9
131.08589	2.2
133.10126	2.7
135.11717	1.1
145.10173	1.3
147.11703	1.1
149.09610	0.7
149.13324	0.5
157.10197	0.4
159.11722	1.4
161.13326	0.6
163.11214	0.5
169.10193	0.4
173.13293	0.9
177.12915	0.4
179.14360	0.7
185.13260	0.5
187.11070	0.5
187.49492	0.4
194.62334	0.3
219.17470	6.2
219.19379	0.6
224.19203	0.3
239.17790	0.4
247.20599	0.3
248.72440	0.3
257.19266	0.6
275.20004	3.3
293.21106	3.8
328.03238	0.4
349.23755	19.2
357.15781	1.3
367.24948	1.4
400.15253	0.4
428.14984	0.7
429.15808	0.7
430.16302	0.4
438.12634	0.4
439.17792	0.6
441.15961	0.5
442.16467	0.6
443.16962	0.7
444.17957	0.5
455.13388	0.8
457.18735	3.4
465.15405	0.5
467.17099	0.6
470.12085	1.4
470.17197	0.6
479.16995	0.9
483.12531	4.7
484.13733	11.0
484.20163	0.6
485.13953	2.5
488.17294	0.5
495.16568	0.7
496.18066	0.5
497.14975	4.9
498.15298	7.5
499.15778	2.9
500.16675	0.5
508.13974	0.6
509.18860	0.6
510.19067	1.4
511.15598	2.4
511.29004	1.0
512.16980	6.9
513.17731	24.8
514.18365	5.6
515.19409	0.5
523.16046	9.5
524.16333	0.7
525.17493	1.7
526.18445	2.2
527.19543	7.4
529.21161	1.0
531.19135	0.5
554.20306	0.8
555.18658	3.2
556.19843	0.7
557.23987	0.9
568.19727	0.9
569.20404	0.6
572.18805	0.7
573.20233	1.4
599.21198	1.9
600.22064	1.9
601.23090	3.7
614.23950	2.8
659.24097	1.9
660.24371	3.6
673.25378	1.9
691.26147	100.0
692.26251	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	690.434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.3
56.05039	0.6
56.96565	0.5
57.80869	0.1
58.06333	0.3
58.06639	0.5
60.08168	6.0
61.02916	0.3
67.05508	1.4
67.23850	0.1
69.03431	0.2
69.07072	0.5
71.07372	2.9
71.56264	0.1
71.56724	0.3
73.02892	0.2
79.05485	0.4
80.40144	0.2
81.03419	0.3
81.07061	0.8
85.02889	0.3
86.09707	29.4
87.10016	0.2
91.05462	0.6
93.07034	0.6
95.08608	0.5
97.02880	0.4
97.06559	0.2
98.30046	0.2
98.98463	2.8
102.32135	0.2
104.10747	1.8
104.67676	0.1
105.07027	0.3
107.08547	0.4
109.10105	0.4
115.14909	0.2
119.08563	0.2
121.10167	0.2
125.00007	18.2
131.08600	0.2
133.10136	0.3
145.10126	0.2
147.11711	0.2
176.10725	0.2
184.07343	100.0
185.07684	0.6
191.85318	0.2
193.49583	0.1
199.06467	0.4
199.14732	0.2
217.07478	0.2
267.08920	0.2
271.05988	1.6
331.15768	0.3
349.16733	0.4
351.18405	0.2
365.15982	0.4
366.16608	0.2
367.17651	0.4
382.14917	0.2
412.20859	0.3
453.70468	0.2
520.26392	0.2
672.42365	10.4
673.42175	0.4
690.39868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.0
55.01870	3.7
55.05515	25.6
57.03444	12.4
57.07073	6.1
61.02941	10.3
65.03948	4.1
67.05508	49.4
69.03429	22.5
69.07078	16.8
70.82259	5.3
71.01363	2.9
71.05009	11.4
73.02918	7.2
77.91589	1.9
78.67281	2.3
79.05493	43.1
81.03427	48.6
81.07063	60.4
83.04974	15.0
83.08659	10.7
84.00677	2.0
85.02921	11.2
85.06557	4.5
86.09705	8.6
91.03989	3.4
91.05489	48.1
93.07042	47.9
95.04976	8.9
95.08607	34.2
97.02888	24.0
97.03442	3.2
97.06527	7.6
97.10181	3.8
99.04456	7.6
99.08116	4.3
103.03956	2.2
105.07033	44.1
107.04973	3.3
107.08606	27.5
109.02863	5.2
109.06547	4.6
109.10134	11.2
111.04478	2.6
111.08076	4.3
115.05465	2.5
116.06214	2.6
117.07027	22.1
119.08582	27.8
121.10168	20.1
123.08080	6.6
123.11723	7.3
125.00006	5.9
125.09618	3.0
127.03898	11.2
128.06216	4.7
129.05492	6.3
129.06992	19.7
131.08585	31.4
133.06487	2.5
133.10138	20.9
135.08102	3.5
135.11693	13.1
137.09665	2.7
141.06966	6.2
142.07753	3.6
143.08589	24.7
145.05049	2.2
145.06541	3.9
145.10132	26.3
147.08109	2.4
147.11681	22.4
149.09689	2.5
149.13246	9.7
155.08530	12.8
157.06471	2.4
157.10144	19.8
159.08095	2.6
159.11703	18.1
161.13255	8.7
163.11192	2.1
163.14853	2.8
165.12775	5.0
167.08615	7.0
169.10143	18.3
171.11716	15.6
173.04431	10.5
173.13254	12.0
175.11197	4.1
175.14856	5.9
177.12764	2.5
179.08641	4.1
181.10139	6.9
183.11693	15.0
184.07368	23.6
185.07755	3.7
185.13258	14.0
187.14865	4.0
193.10149	3.5
195.11754	5.5
195.13681	2.7
197.13274	9.8
199.14832	8.1
201.16472	4.1
205.10138	2.3
207.11638	4.4
208.56221	2.1
209.13396	5.3
211.14902	5.0
213.16391	2.8
221.13275	3.9
223.14832	6.7
225.16484	3.4
235.14932	3.1
239.18085	2.8
241.19559	5.6
257.18994	3.0
259.20590	7.9
261.22049	4.6
267.15915	7.6
269.17542	7.4
283.20413	2.2
285.17090	2.9
295.20435	3.0
297.22260	2.4
301.21674	3.3
333.24368	3.5
335.25687	3.1
367.22473	3.6
369.24347	2.5
385.23853	2.7
386.14063	2.2
398.13663	2.9
399.14584	4.2
400.15457	7.0
411.20105	3.6
412.15131	3.1
413.16190	4.3
413.21771	3.7
414.16821	3.2
417.31363	3.3
427.17896	3.0
429.19107	6.1
435.32437	11.1
442.16589	3.4
444.17636	2.9
453.33615	4.6
456.18106	4.1
457.18652	4.2
471.34494	3.6
483.16714	3.7
509.36743	10.5
525.35419	5.2
527.37372	100.0
528.37354	4.9
529.38922	3.2
539.37579	3.5
543.22333	3.3
543.36237	4.0
545.38269	8.6
546.24860	3.8
551.36829	3.8
569.38037	5.0
571.21851	15.6
581.20502	4.1
587.21057	3.2
593.38770	2.7
599.21851	3.3
602.23376	8.1
617.37811	3.1
623.39734	3.7
627.20551	4.9
631.23975	3.7
635.39563	10.0
641.22272	5.7
653.40460	9.9
657.21002	3.2
658.22296	4.0
659.22803	9.0
660.23572	2.3
671.41699	15.0
689.25006	14.5
689.42590	61.3
690.24738	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	689.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.6
55.01867	5.4
55.05302	2.0
55.05515	21.5
57.03449	12.8
57.07073	3.8
60.08163	4.7
60.34759	2.2
61.02929	13.9
65.03933	3.8
67.05505	48.3
69.03431	22.1
69.07069	20.5
71.04983	9.3
71.21442	2.1
71.56625	2.7
73.02910	6.9
79.05495	39.2
81.03426	42.1
81.07059	54.1
83.04987	13.1
83.08611	9.9
85.02894	9.6
85.06535	4.1
86.09711	11.5
91.03962	4.4
91.05479	44.2
93.07043	45.2
95.04954	7.5
95.08607	34.8
95.09186	3.9
97.02911	21.1
97.06512	8.1
97.10183	3.7
99.04458	4.2
99.08102	2.4
105.07040	36.8
107.04969	5.8
107.08601	25.0
109.02871	7.7
109.06508	4.8
109.10162	15.2
111.04449	4.5
115.05476	2.4
117.07016	18.7
119.08594	24.8
121.06445	2.9
121.10132	17.7
123.08018	2.8
123.11708	6.0
124.99995	7.2
127.03911	9.7
128.06224	3.8
129.05487	5.4
129.07030	14.7
131.08588	27.7
133.06477	4.4
133.10138	23.6
135.11682	12.2
136.60793	2.7
137.09651	2.7
141.07005	9.7
142.07794	4.6
143.08574	19.3
145.06490	2.5
145.10112	20.9
147.08049	3.2
147.11708	20.4
149.09642	4.5
149.13245	8.4
155.08549	15.4
157.10132	18.6
159.11679	20.4
161.13287	8.0
163.11195	2.9
165.07051	3.0
165.12816	2.7
167.08569	4.9
169.10184	16.7
171.11685	19.5
173.04420	11.1
173.09665	2.5
173.11801	2.2
173.13275	9.3
175.11153	4.1
175.14824	2.6
177.12741	4.4
179.08586	2.7
181.10072	8.6
183.11688	14.1
184.07347	37.7
185.07698	6.1
185.09460	2.1
185.13249	10.3
187.14792	4.0
189.12695	3.2
193.10150	2.7
195.11717	7.1
195.13499	2.9
197.13197	9.7
199.14832	6.2
207.11696	3.5
209.13295	5.6
211.14807	6.7
213.12936	2.6
213.16446	3.8
223.14804	4.6
226.80310	2.3
235.14757	3.3
241.19618	4.5
259.20581	9.1
267.15915	6.9
269.17456	7.2
323.23785	3.9
333.24066	5.2
349.21631	3.2
385.23987	3.4
399.14468	2.8
400.15408	7.1
413.16174	4.4
413.21426	5.6
417.31561	4.9
427.17609	6.9
429.19263	4.1
435.32565	8.9
442.16599	3.2
453.33475	5.4
455.16861	3.0
456.17654	4.0
483.16785	4.5
509.35959	10.0
511.16821	3.0
527.37354	100.0
528.38281	3.1
539.18475	4.2
543.22388	6.4
543.36249	3.4
545.38226	7.6
546.24359	2.6
569.38403	3.3
571.21686	20.4
572.22241	3.7
581.38977	2.6
602.23810	12.0
603.23096	2.4
611.40057	2.8
629.22009	4.2
630.22552	6.8
635.39502	7.3
641.21796	5.5
653.40839	10.6
657.21661	6.5
658.22748	5.8
659.22864	5.1
671.23077	4.9
671.41614	20.2
674.21747	3.8
689.24872	13.8
689.42590	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	689.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
54.39577	0.2
55.01863	0.4
55.05508	1.8
56.96539	0.3
57.03429	1.2
61.02927	3.8
65.03917	0.4
67.05507	4.7
69.03416	2.0
69.07067	1.5
71.04988	0.6
73.02917	2.7
79.05495	5.9
81.03419	2.3
81.07054	4.2
82.07389	0.4
83.04978	1.0
83.08624	1.2
85.02909	3.8
86.09667	0.6
87.04457	0.3
91.03946	2.4
91.05473	4.8
92.05806	0.3
93.07041	6.0
95.04952	1.5
95.08607	2.7
97.02895	3.8
97.06540	0.9
98.20776	0.6
99.04444	0.7
101.02385	1.3
105.07032	3.8
107.04942	0.8
107.08597	2.1
109.02878	0.6
109.06506	0.6
109.10152	0.8
109.95409	0.3
111.08135	0.2
117.07027	1.0
119.08572	2.9
121.06480	0.6
121.10159	0.7
123.08054	0.5
125.00014	0.3
127.03929	1.2
128.06264	0.4
128.28082	0.3
129.07010	1.8
131.08562	0.7
133.03513	0.3
133.10156	1.3
135.11696	0.8
143.08578	1.0
145.10162	1.0
147.08128	0.4
147.11687	2.6
156.09305	0.3
161.09700	0.5
161.13289	0.9
163.11180	0.4
169.10226	0.3
171.11639	1.8
178.19902	0.3
184.07298	1.5
185.04367	0.3
189.12808	0.4
203.05510	0.3
207.13893	0.8
220.25008	0.3
229.07535	0.4
239.13857	0.3
243.08412	2.3
244.98323	0.3
247.13036	2.7
261.96024	0.3
277.07733	0.3
281.17566	0.6
301.20145	0.6
302.20560	0.3
303.15823	0.9
329.14130	0.4
347.15488	0.6
349.16858	0.9
350.17612	0.9
350.67798	0.5
445.78461	0.3
465.20963	13.0
526.80524	0.4
527.30164	0.6
657.22205	0.6
689.35010	100.0
690.35358	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	689.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.9
55.01876	10.1
55.05512	27.0
57.03437	12.8
57.07059	1.5
59.04982	1.4
61.02925	30.6
61.03774	1.3
65.03934	4.2
67.05509	42.1
69.03083	2.4
69.03429	33.9
69.07070	17.8
71.01346	1.3
71.04991	7.5
71.56764	1.6
72.87790	1.2
73.02921	13.3
79.05493	41.6
81.03421	39.2
81.07057	36.5
83.01342	1.7
83.04983	10.3
83.08619	14.5
85.02904	42.1
85.06525	2.5
87.04456	3.0
91.03957	15.7
91.05482	27.4
93.06483	2.2
93.07045	29.1
94.04208	1.3
95.04971	36.8
95.08603	25.3
97.02891	41.4
97.06540	7.9
97.10174	20.8
97.35533	1.3
98.97543	1.8
99.04469	8.9
99.08097	1.6
101.02384	4.4
103.03945	2.7
103.05460	1.5
104.10712	2.4
105.04516	1.6
105.07029	26.3
107.04961	14.6
107.08594	26.6
109.02902	10.8
109.06526	8.6
109.10162	10.2
111.04424	5.4
111.08070	5.4
115.03906	1.6
115.05446	2.1
116.18889	1.2
117.07018	14.8
119.04895	1.8
119.08581	19.9
121.06509	11.3
121.10142	12.1
123.04437	2.1
123.08066	18.3
125.09624	17.6
127.03928	16.3
128.06223	2.5
129.05493	3.2
129.07001	8.5
131.04886	1.5
131.08577	17.2
133.06474	6.7
133.10129	11.9
135.04352	1.5
135.08061	7.8
135.11676	10.0
137.06007	3.3
137.09601	4.4
139.03931	1.6
142.07732	2.3
143.08578	8.5
145.04971	7.6
145.06476	2.4
145.10110	17.5
147.08073	11.2
147.11713	7.2
149.09570	7.9
149.13312	1.8
151.07538	5.3
151.11224	2.0
153.09099	3.1
155.08525	1.9
157.06491	1.5
157.10123	6.3
159.08011	2.4
159.11719	5.7
161.05960	1.8
161.09605	6.0
161.13298	2.0
163.06091	1.5
163.07518	1.5
163.11197	14.2
164.11609	2.4
165.05606	1.5
165.09087	4.0
169.12239	1.6
171.10280	2.5
171.11668	6.5
173.04480	10.0
173.09575	3.2
173.11819	2.5
173.13197	1.7
175.11198	6.3
177.09146	1.4
177.12704	2.4
181.12239	1.9
183.06522	3.4
184.07333	3.1
185.09697	2.5
185.13298	2.3
187.11221	2.4
189.09702	1.7
189.11208	11.8
189.12718	2.9
191.10693	2.2
193.12184	7.4
195.11732	2.8
199.11151	2.3
201.07597	2.8
203.10692	2.1
205.12254	2.7
211.11433	1.6
211.13243	5.8
223.13326	12.6
227.12801	17.3
227.17891	2.6
228.13062	1.8
229.12241	2.0
233.15581	1.9
235.13293	2.5
237.16418	2.1
243.12296	5.4
245.13782	5.0
249.14838	4.8
255.17496	6.0
263.19940	2.2
267.15939	3.9
273.18484	36.3
275.20081	3.4
283.15359	6.2
284.15723	4.3
285.17029	3.0
290.28925	1.5
291.19547	100.0
292.19656	2.3
297.16986	2.1
309.17209	1.8
337.23651	1.8
347.22162	56.6
349.23569	1.8
351.17935	2.0
365.23233	84.7
381.20273	1.3
383.24457	1.7
389.23108	5.5
393.22720	2.4
407.24268	2.6
413.17694	1.4
431.24136	2.5
435.23703	4.4
473.25165	2.7
491.26248	9.5
492.26611	8.9
509.27444	25.3
525.12292	1.5
527.28552	12.9
569.28613	1.6
585.28040	2.3
689.33167	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	689.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.9
62.40331	0.5
67.05477	1.2
69.45110	4.0
78.35447	0.5
79.05493	0.6
81.07050	0.9
91.05486	0.7
93.07033	0.5
95.04981	0.5
98.20792	1.1
121.10233	0.6
140.44479	0.5
171.37552	0.6
264.42557	0.4
344.01892	0.4
383.11398	0.6
384.12216	0.9
385.13977	1.1
397.13260	1.1
398.13770	6.9
399.14670	4.5
400.16455	7.4
401.16061	0.8
411.14658	2.1
412.15317	9.8
413.16119	11.1
414.16833	1.2
416.14725	2.6
418.17441	2.8
424.15643	0.9
425.12134	1.2
426.17224	3.8
427.17783	12.0
428.18701	12.8
429.19064	1.8
430.16693	0.7
437.15665	0.6
439.18036	0.7
440.14856	2.1
441.15021	4.0
443.13599	1.5
444.14496	2.1
445.18958	1.0
446.17133	1.3
453.15488	0.7
455.17142	46.9
456.17810	5.5
457.14700	3.4
458.15961	7.9
459.16690	5.7
460.17380	0.6
467.17786	0.5
469.14227	2.4
470.15579	0.7
471.16840	3.4
472.17801	3.0
473.18411	2.3
480.14450	0.7
483.16650	37.4
484.16995	2.1
485.19043	0.6
486.19089	3.7
487.20584	7.9
488.17053	0.8
495.16650	2.0
497.17877	0.7
499.16467	1.6
500.16855	0.6
501.17648	2.5
509.17999	0.5
512.13385	0.8
515.18982	5.7
516.20258	1.8
523.16016	2.5
524.16522	0.8
527.15320	8.5
528.19299	0.6
537.17688	1.2
538.17834	1.5
539.19513	0.6
541.20337	1.7
542.21924	0.8
555.18628	3.2
569.20520	2.8
570.20795	3.7
573.23230	1.0
574.24207	14.4
575.24335	0.9
587.21429	3.1
597.19794	0.9
601.22980	9.9
602.23712	100.0
603.24127	4.7
612.22144	1.2
614.20306	0.7
615.20551	1.0
629.22406	26.3
630.22845	2.6
633.25629	5.2
643.23975	7.0
657.21899	20.4
658.22821	1.1
661.25140	5.8
689.24628	11.9
689.39087	0.8
689.41113	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
61.52066	0.8
67.05437	0.7
70.95481	1.2
74.41740	0.6
81.06979	0.9
93.06965	0.7
143.08412	0.6
184.07159	1.0
239.90884	0.6
244.97670	0.6
384.12051	2.5
385.13031	5.5
386.14130	1.7
397.12741	1.7
398.13708	7.3
399.14542	12.0
400.15457	19.4
411.14404	2.0
412.15347	7.7
413.16153	14.9
414.16998	10.4
416.15195	0.7
418.17432	1.4
424.15244	1.3
425.16348	1.2
426.17529	3.5
427.13208	2.9
427.18427	12.2
428.18741	13.0
429.19260	11.2
434.20419	1.1
439.17862	0.8
440.14270	1.3
441.14807	7.4
441.74521	0.6
442.16382	13.2
443.16492	0.7
444.14011	1.3
445.14246	0.9
446.17352	1.0
454.16388	0.7
455.17181	30.9
456.17889	14.6
457.14551	1.0
457.19165	0.7
458.15982	2.6
459.16913	4.9
466.12357	0.8
467.13058	0.6
469.13998	2.9
470.19952	1.0
471.16953	1.1
472.17896	1.5
473.18134	1.9
479.13428	0.8
481.14999	1.4
482.15732	1.4
483.16599	26.2
484.15851	1.1
484.21808	1.4
485.17355	0.8
486.19391	1.6
487.15973	2.5
487.20190	1.9
495.16519	1.8
496.17383	1.3
499.16080	7.4
500.16675	1.6
501.17395	1.1
506.40125	0.6
509.14630	1.3
511.20413	3.1
512.13080	0.9
513.13818	0.6
515.19562	2.2
516.20239	0.8
523.16113	2.9
524.16357	0.8
527.15582	27.7
528.15735	4.3
537.17639	2.0
538.18109	0.9
539.19202	11.1
540.19611	0.8
541.20819	0.7
542.21021	1.4
543.22491	14.9
544.22571	0.8
551.19092	0.8
555.18256	1.1
569.20190	1.8
571.21887	100.0
572.22186	6.3
573.19409	0.9
574.24286	6.5
586.20667	1.7
587.21301	1.3
601.22968	6.9
602.23694	30.7
603.23987	1.3
614.20111	1.1
615.21204	2.9
617.26172	2.4
629.22467	27.8
630.22894	17.3
633.25421	1.1
643.23706	1.2
657.21899	62.6
658.22064	3.1
661.25415	6.0
689.24585	22.6
690.24432	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01858	0.6
56.04992	0.4
56.96544	0.6
57.03418	0.6
59.97956	0.4
61.02911	1.0
64.16814	0.5
67.05468	1.3
69.03432	2.7
69.07040	1.7
69.20734	4.7
70.06565	1.8
71.04967	1.0
73.02893	0.4
74.89017	0.4
76.18457	0.4
79.05499	2.2
80.05036	0.5
81.03413	2.2
81.07044	1.0
82.06546	1.9
84.08115	0.9
85.02901	4.8
86.09687	0.9
89.03920	0.5
91.03925	0.7
91.05475	2.5
92.94865	0.5
93.07034	2.1
94.06562	3.3
95.04945	1.3
95.07335	1.0
96.08133	5.9
97.02853	2.0
97.06537	11.9
98.97562	0.7
103.05452	0.9
105.07017	0.8
106.06559	1.1
107.07291	0.8
107.08548	0.7
108.04479	10.3
108.08128	5.6
109.10087	0.5
110.09703	4.3
112.07556	0.6
116.04963	1.9
119.04913	1.0
119.08562	0.5
120.08106	5.4
122.05312	0.6
122.06043	7.1
122.09631	0.4
124.07594	20.9
127.03908	0.7
129.06931	0.6
132.12355	0.4
133.10118	0.7
134.05988	0.5
135.04382	0.6
136.07573	7.1
137.05986	10.6
138.06339	0.6
138.09131	9.6
139.25175	0.5
140.07050	1.9
144.04466	3.2
146.06007	9.0
147.04330	0.5
148.07594	3.4
149.05969	0.7
150.05554	2.0
150.09007	0.5
152.07043	4.4
160.03935	3.5
162.05444	1.1
163.07474	0.5
164.07088	0.9
166.08635	10.0
168.06563	11.5
172.03943	16.7
173.04652	1.0
174.05502	7.5
177.00685	0.5
177.05605	0.5
189.09116	1.4
190.04996	30.9
191.05551	0.8
192.06602	0.6
193.12292	0.6
197.11835	0.6
204.06570	21.9
206.08112	7.8
211.12453	0.5
212.09383	0.5
219.01825	0.5
223.12267	1.5
225.10196	0.8
226.10982	0.5
233.11720	10.2
234.12123	1.0
235.12514	0.6
236.09453	1.2
237.02875	0.6
237.10216	1.0
238.10980	0.6
250.14404	12.7
251.11827	3.0
251.14391	0.7
252.08910	1.5
259.14478	0.5
264.08905	1.2
264.15897	2.4
267.15891	0.6
268.09058	0.5
279.11270	6.1
281.09412	0.6
285.17075	0.7
287.10339	1.2
295.10779	1.7
297.12320	12.3
299.10242	2.3
302.17426	0.8
305.10910	0.6
307.10785	6.6
311.10376	0.7
313.11914	3.0
323.10309	4.5
325.11841	58.8
326.12238	0.8
329.11258	2.1
339.05731	0.5
341.11356	5.4
343.12930	6.0
353.11432	1.0
357.14539	0.7
359.12537	0.9
361.13803	1.7
373.13937	5.4
448.18680	1.0
452.18326	1.7
455.12271	0.5
466.20059	0.9
473.19879	0.5
476.18222	2.8
494.19241	100.0
495.19376	1.4
498.21896	0.6
508.20523	3.8
512.20270	6.1
526.21808	19.1
688.29181	0.6
688.87415	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20636	1.0
54.05868	0.9
64.42854	0.8
67.05492	2.7
69.07085	1.6
69.25485	1.4
69.25881	7.5
79.05476	1.4
81.07068	1.5
83.08597	1.1
91.05502	2.2
93.07048	2.3
95.08591	1.7
97.06464	0.8
105.07048	1.7
109.10167	1.0
117.06963	1.0
135.11751	1.1
185.10730	1.1
197.10684	1.0
209.10991	1.2
221.10675	1.2
223.12325	1.5
224.13228	1.7
235.13084	10.9
237.13879	1.6
249.14178	1.2
251.10439	1.6
261.14279	0.9
265.08173	1.3
265.10556	3.4
277.13950	2.7
293.11581	3.0
304.14688	1.2
318.16306	2.0
338.16409	1.1
346.21106	1.7
347.22070	4.1
354.18469	1.4
354.50284	0.9
365.17789	1.1
366.18762	1.1
367.19437	2.5
377.17792	2.1
379.19241	2.2
380.20242	1.4
381.16739	1.4
381.20920	3.5
382.17636	1.2
393.21005	1.5
395.18829	2.4
396.19568	1.6
397.20468	2.0
405.17108	2.4
407.18411	2.0
409.20172	5.8
410.21051	4.0
411.21835	7.3
420.19449	4.1
421.20297	2.6
422.21185	3.6
423.22540	4.2
433.20761	1.1
435.17816	1.5
437.23706	2.9
437.77914	1.1
447.22070	2.1
448.18866	9.2
449.19958	2.2
451.21808	1.5
453.23111	2.2
461.20386	1.0
465.23669	1.5
466.24445	1.6
467.20459	1.3
468.25522	8.9
469.26102	1.4
475.17926	3.7
476.18408	2.0
477.19144	1.3
480.21255	11.8
481.22272	1.9
483.23984	1.4
490.35284	1.0
493.18179	1.7
494.19412	1.3
495.24683	1.3
496.24683	6.3
497.25647	7.8
498.26248	15.0
507.20435	1.4
508.21362	3.0
509.21924	1.3
511.26996	3.4
512.27777	2.3
524.24023	4.5
525.24884	6.5
534.22858	3.8
535.23480	2.4
539.26428	5.2
540.27222	5.4
552.23767	1.3
553.24554	2.2
563.22827	3.2
566.24976	1.5
567.26349	5.9
580.23407	1.4
584.26086	5.2
585.27106	5.8
594.24615	9.9
595.25470	2.5
599.28912	3.8
609.27478	1.2
612.25714	17.6
613.26727	6.1
627.28204	25.7
637.26575	2.8
641.42645	1.4
655.27643	43.9
656.27673	2.0
687.30212	100.0
687.42169	7.2
688.30389	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	686.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57033	1.2
53.03944	2.1
55.05511	15.8
57.03436	9.4
57.07067	2.8
59.04999	3.2
61.02917	4.8
65.03936	3.7
67.05505	97.3
68.04996	1.8
69.03425	2.8
69.07066	9.7
71.04991	4.7
71.08619	1.2
71.57543	2.2
73.67442	1.6
79.05495	24.5
81.03421	4.5
81.06579	2.5
81.07054	39.8
83.04980	2.9
83.08611	11.8
85.02906	4.6
85.06526	4.5
91.05478	18.6
93.07043	30.4
93.07623	1.7
95.04961	3.4
95.07982	1.8
95.08605	32.2
96.08101	1.8
97.02894	2.1
97.06520	11.2
97.10143	1.3
99.08125	2.0
100.11244	1.3
105.07032	10.4
107.08603	19.2
109.06503	2.2
109.10155	81.0
111.08080	5.9
117.07013	2.5
118.63689	1.3
119.08577	14.1
121.10143	14.3
123.04425	6.9
123.08018	1.5
123.11720	5.2
125.09604	2.7
131.08588	7.1
133.06436	1.8
133.10158	7.7
135.11668	8.9
137.06007	4.6
137.09615	3.2
137.13225	2.2
145.10127	5.0
147.11694	5.4
149.09566	1.2
149.13266	4.9
155.10651	6.7
157.10199	1.6
157.32765	1.8
159.11699	5.4
159.37740	1.5
161.13226	3.7
163.07481	1.9
163.14832	2.7
171.11717	1.3
173.11739	21.2
173.13235	3.8
175.11288	1.5
175.14838	1.9
187.14883	2.0
193.12216	3.7
206.15419	5.7
211.13387	1.7
219.10199	3.6
224.16423	5.8
227.12750	4.9
229.14345	100.0
237.09198	1.6
238.18007	2.9
243.21086	8.1
261.22116	20.6
317.24643	4.0
335.25797	84.6
347.18442	4.2
365.51932	1.6
397.30927	1.7
489.35764	79.4
490.35959	2.2
507.36481	5.7
534.79669	1.6
640.42120	13.9
668.41168	6.1
669.41876	1.4
686.42908	1.7
687.29846	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	684.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.0
53.03937	3.0
55.01875	0.8
55.05508	7.4
56.96555	1.1
57.03428	2.5
61.02911	1.7
62.53385	0.7
65.03942	1.6
67.05506	23.8
69.03421	1.7
69.07065	6.8
71.04987	1.8
71.56956	0.7
73.02904	1.7
73.06544	1.0
77.03907	0.9
77.35933	0.7
79.05492	35.6
81.03416	5.3
81.07054	22.4
83.04983	7.0
83.08625	3.9
85.02911	2.3
85.06528	1.9
91.03977	0.9
91.05479	26.4
93.07042	34.0
95.04953	8.2
95.08054	1.2
95.08605	14.4
97.02890	2.5
97.06525	3.9
97.10176	1.8
98.97594	1.7
99.04421	0.8
105.04524	1.7
105.07030	22.1
107.04928	3.5
107.08591	10.4
109.06557	3.6
109.10150	4.0
111.08086	1.1
113.86797	0.7
116.01349	0.6
117.07011	5.7
119.08588	12.6
121.06505	1.3
121.10147	3.1
123.08040	2.2
127.07576	0.9
128.06236	0.9
129.06996	9.5
131.00189	2.6
131.08568	2.4
133.10118	6.5
135.08020	0.8
135.11684	2.2
137.05980	1.3
143.08557	6.3
145.10106	6.4
147.03116	1.9
147.08011	0.8
147.11691	21.7
149.01190	2.9
151.03917	1.3
156.03633	2.8
159.11696	1.6
161.09616	2.9
161.13240	6.2
163.11159	0.9
167.54399	1.5
171.11681	14.1
186.66473	0.8
189.12743	6.5
203.02185	0.8
207.13805	16.8
225.14848	1.8
263.16486	1.7
265.12753	1.8
275.88412	0.7
281.17471	40.9
282.17627	1.0
283.13968	0.9
293.05545	1.2
345.17032	1.0
345.67355	1.8
346.16522	7.2
358.16364	4.8
358.66571	2.1
469.29459	2.0
487.30533	100.0
488.30865	3.9
490.61261	0.7
522.28979	1.5
543.36963	2.8
603.32086	2.4
603.82007	1.0
684.35480	1.5
684.84906	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
55.05518	0.4
57.03425	0.9
57.39388	0.3
61.02929	0.4
65.03954	0.7
65.68526	0.4
65.76176	0.3
66.23145	0.3
67.05508	1.2
69.03431	1.7
69.07068	14.4
70.06565	0.4
71.04995	0.9
73.06545	0.7
76.46564	0.3
77.03942	0.4
79.05493	6.4
81.03409	0.8
81.07031	0.6
83.05025	0.4
85.02903	1.4
86.09712	0.6
87.00822	0.3
91.03937	0.5
91.05477	9.6
93.07047	0.3
95.04987	0.7
97.02900	1.5
97.06530	68.9
98.06850	0.4
98.97618	1.0
105.07059	0.6
107.04964	0.6
109.02921	0.4
109.06523	1.0
115.07558	1.5
119.04935	6.8
121.02876	4.2
121.06527	0.5
121.10187	0.3
127.03931	0.9
131.00153	0.4
133.06485	1.1
133.10118	0.4
135.04420	1.1
137.05977	80.3
138.06340	0.7
145.05008	0.5
146.06064	0.5
147.04410	4.2
149.01186	0.6
149.05975	1.1
159.08002	0.5
161.05916	0.3
161.09637	0.5
163.07559	0.8
164.07062	0.6
187.06165	0.5
189.09097	9.6
191.10735	0.6
197.11717	0.7
201.05708	0.4
205.12242	0.7
215.10657	1.1
219.10104	0.5
224.08057	0.7
233.11722	67.2
234.12006	0.8
250.14380	100.0
251.12756	24.9
252.12901	0.5
264.15915	0.8
268.08887	3.5
268.15427	8.7
282.09119	0.4
315.06738	0.4
337.07016	0.6
347.05402	0.5
349.07022	2.3
361.07043	3.5
373.07031	0.4
375.07489	0.5
389.06244	0.9
390.09900	2.8
393.06165	0.6
408.10300	0.5
418.09192	19.7
419.09332	1.2
436.10342	4.1
437.10638	0.5
453.45233	0.4
455.12033	0.4
666.14563	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	684.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48311	0.3
53.68743	0.3
55.01867	1.3
55.05520	0.6
57.03434	0.6
65.03951	0.3
67.05512	1.6
69.03420	1.6
69.07069	13.0
69.34933	0.4
70.06590	0.4
70.72881	0.6
70.73198	0.7
71.05006	0.4
73.06559	0.7
79.05494	6.4
81.03390	0.5
81.07041	0.8
83.08574	0.4
85.02894	1.2
86.09699	0.4
88.04031	0.3
91.04900	0.5
91.05482	9.6
91.08817	0.3
93.07038	0.4
95.04959	0.4
97.02905	1.0
97.06533	68.3
98.06832	0.4
103.51517	0.4
105.07050	0.6
106.82279	0.3
107.04958	0.4
107.08541	0.4
109.06490	0.7
115.07574	1.2
119.04939	6.5
121.02869	1.7
121.06501	0.4
123.21793	0.3
133.06471	0.6
135.04411	0.8
137.05980	74.9
138.06317	0.8
145.05006	0.4
147.04404	4.0
147.11684	0.5
149.05978	1.2
149.10794	0.3
163.07579	0.6
164.07080	0.5
189.09109	8.9
191.10696	0.5
205.12195	0.7
215.10655	1.5
233.11728	62.8
234.12096	1.0
237.02730	0.6
250.14386	100.0
251.12756	22.5
252.95888	0.3
264.15942	0.6
265.27048	0.3
268.15445	7.5
302.17648	0.6
320.18555	0.7
349.06985	0.5
361.06955	1.5
364.21014	1.1
389.06332	0.3
390.09534	1.0
418.09213	7.8
419.09558	0.6
436.10315	1.8
449.10449	0.5
594.24335	1.0
666.14185	1.3
692.33850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.6
53.14832	3.4
55.01862	13.5
55.05513	44.1
57.03422	7.2
65.03950	5.0
67.05508	100.0
68.05029	7.2
69.03426	13.1
69.06731	4.2
69.07069	58.5
69.73862	15.0
71.01337	8.9
71.04984	12.2
79.05492	73.0
81.03430	21.3
81.07059	85.8
83.04989	15.4
83.08607	25.9
84.02107	4.2
85.06542	7.4
91.05483	67.4
93.07043	75.5
95.04974	32.7
95.08608	54.7
97.02899	6.3
97.06543	28.4
97.10168	28.8
98.21110	11.7
98.68387	3.2
105.07029	51.0
107.04939	17.2
107.08591	46.5
109.06506	10.8
109.10156	29.3
111.08089	19.3
115.05499	3.3
117.07043	16.4
119.08586	42.6
121.06503	7.4
121.10157	26.6
123.08064	11.9
123.11721	6.2
125.09644	28.4
129.06995	14.2
131.08580	31.6
133.06546	4.4
133.10115	37.0
135.08049	11.1
135.11682	26.9
137.09610	22.0
139.07600	3.6
143.08580	10.5
145.10133	24.9
146.07309	3.2
147.08035	7.0
147.11693	19.1
149.09631	18.9
149.13252	10.7
151.11177	9.6
155.08482	4.3
157.10120	13.2
159.11710	13.4
161.13286	6.4
163.11185	16.4
165.12735	4.9
169.10115	3.5
171.11729	5.6
173.11743	10.2
173.13252	10.1
175.11185	12.8
177.12729	8.8
179.10696	3.3
179.14284	4.4
181.12227	10.0
183.11729	5.4
187.11093	3.9
187.13310	3.4
193.12196	12.4
194.13071	7.1
195.13901	5.2
197.13118	4.7
201.12723	3.8
203.12796	12.4
211.13335	8.3
213.14790	7.1
223.13243	4.5
225.14890	6.8
226.15669	7.7
247.20609	4.9
257.18967	6.5
273.18484	6.9
275.20020	58.9
289.21606	10.2
307.22650	9.9
449.52750	3.8
682.42670	6.3
713.53345	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	681.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.1
55.05506	0.2
57.03426	0.3
61.02917	0.3
67.05499	0.2
69.03086	0.1
69.03432	1.9
70.06589	0.2
71.04959	0.1
73.02903	0.1
79.05479	0.2
80.87231	0.1
81.03427	0.7
81.07060	0.1
83.04987	0.3
83.64558	0.1
85.02902	1.5
87.00812	0.3
87.04459	0.6
93.07076	0.1
97.02900	1.3
98.97585	0.2
100.11242	0.5
105.01868	0.3
109.02887	0.6
111.04417	0.3
115.03931	0.7
122.06176	0.1
127.03909	0.8
129.05502	0.3
133.04980	0.6
145.04997	0.3
149.05959	0.2
153.01839	0.6
156.06575	0.3
159.02866	0.4
163.06190	0.2
164.88849	0.1
173.83156	0.1
182.15321	0.2
188.07120	0.1
213.03897	0.2
229.04945	0.3
231.05064	0.2
241.07056	0.2
258.05261	10.9
259.05679	0.1
265.05179	0.2
271.06039	1.1
283.06259	0.9
286.04730	34.4
287.05103	0.4
301.07068	100.0
302.07327	1.3
339.09259	0.2
343.08090	0.3
357.09906	0.2
392.62305	0.1
409.15179	0.1
463.12292	0.5
482.56400	0.1
501.14395	0.1
505.13260	0.2
511.70248	0.1
519.15515	0.7
519.31427	0.2
531.11578	0.2
549.04309	0.2
549.12457	2.7
595.16217	0.3
649.24811	0.2
680.36041	0.5
680.51227	0.7
681.16589	2.1
681.36584	0.6
681.49677	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	679.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09777	1.0
58.55533	1.0
60.37963	1.2
70.14522	1.9
70.14920	2.5
73.74094	1.1
79.05466	1.2
81.07050	2.5
86.09700	2.3
93.07019	1.5
107.08635	1.7
121.10139	1.6
124.99997	1.9
144.97067	1.2
149.80573	1.1
166.28641	1.1
184.07349	9.0
189.95396	1.1
224.22806	1.2
238.39397	1.2
243.15794	1.2
353.24533	1.3
356.71539	1.2
451.45175	1.4
461.23141	2.3
468.96616	1.1
469.19766	1.3
489.22992	2.1
494.24298	1.6
511.20770	1.6
515.24402	1.5
517.21899	3.5
529.22772	1.5
532.24426	1.2
533.22552	1.7
543.23480	4.6
544.23547	1.5
545.21539	2.2
548.25421	1.5
560.24182	2.5
561.24524	2.8
571.23120	4.0
575.26324	21.5
576.24915	1.8
588.23071	1.7
603.25891	23.6
604.26038	2.4
605.23816	4.1
619.25079	2.7
620.26099	8.1
635.28394	100.0
647.24640	6.7
661.26160	2.3
679.27295	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	680.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07306	4.5
51.01476	5.2
53.03933	11.9
55.01863	15.2
55.05513	55.8
57.03431	13.2
67.05507	100.0
68.05010	12.8
69.03419	17.6
69.07074	75.1
71.01345	5.7
71.04984	13.1
79.05502	73.6
81.03409	32.1
81.07063	81.6
83.04963	15.7
83.08619	20.6
85.06544	10.2
85.07630	5.2
91.05480	67.1
93.07047	75.3
95.04968	26.5
95.08613	43.5
97.02917	7.7
97.06523	69.1
97.10158	39.2
99.08041	5.1
103.05476	4.7
105.07044	48.3
107.04951	12.6
107.08588	43.6
109.06500	25.8
109.10150	29.6
111.08070	14.6
117.06992	24.4
119.08580	37.7
119.09308	8.2
121.06497	13.1
121.10136	19.5
123.04434	6.7
123.08071	10.9
125.09609	36.8
129.07011	9.6
131.08585	31.4
133.10124	31.1
135.08038	19.4
135.11673	21.3
137.09598	25.8
143.08629	5.3
145.10126	18.7
147.11684	12.3
149.09619	23.6
159.11636	15.2
161.09566	5.8
161.13239	6.8
161.74388	5.2
163.11209	11.8
165.09088	5.8
168.09370	7.5
169.10081	7.8
171.11661	7.1
175.14865	6.2
177.12740	7.7
181.12163	5.4
184.07332	10.9
184.13289	14.5
187.11249	7.9
205.12268	10.0
213.14771	9.4
223.13387	8.1
237.14793	7.3
247.17136	6.3
247.20502	6.5
257.84744	5.0
266.52585	5.5
275.20071	19.9
289.21561	6.3
291.19379	6.1
305.21136	14.5
307.22510	7.5
319.91507	5.6
461.44623	5.3
635.37122	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	677.374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05722	1.4
52.91279	1.4
53.03941	3.8
53.41262	1.3
55.01862	2.1
55.05505	14.3
57.03437	8.8
57.07070	3.4
60.67542	1.3
61.02923	18.3
65.03933	2.7
67.05505	75.7
69.03423	3.9
69.07065	11.4
69.96889	2.5
69.97287	3.1
71.04989	3.0
73.02911	8.1
79.05490	44.0
81.03410	2.4
81.07056	93.6
82.29689	1.2
83.04958	2.4
83.08616	9.4
85.02898	20.6
85.06525	3.8
91.03954	16.6
91.05476	24.1
93.07040	60.3
93.91948	1.3
95.04987	3.1
95.08605	66.4
97.02888	10.6
97.06526	4.7
97.10165	3.6
98.21461	2.3
99.04482	1.5
99.08089	1.8
105.07032	19.1
105.83992	1.3
107.08590	38.0
109.06505	1.7
109.10155	37.9
111.11726	1.9
113.09649	2.2
117.07004	10.0
119.08567	17.6
121.09315	2.7
121.10138	33.5
123.08082	2.3
123.11703	21.1
124.99979	1.1
125.09592	2.6
127.03903	8.9
131.08571	20.2
133.10129	16.0
135.11685	31.0
137.13252	8.1
139.11182	1.8
142.51833	1.3
145.04982	7.2
145.10132	15.0
147.11687	13.6
149.12169	0.8
149.13258	23.5
151.14804	3.0
159.11694	16.5
161.13245	14.4
163.06012	10.7
163.11267	1.6
163.14812	14.1
165.12779	2.6
173.13235	16.2
175.14839	3.3
177.12796	2.1
177.16408	7.4
179.14290	2.9
184.07329	5.8
187.14821	9.5
189.16423	1.2
191.14291	1.6
201.16431	4.0
215.17850	2.8
233.22736	3.5
243.21074	36.0
246.02521	1.3
261.22131	100.0
262.22620	1.4
263.23566	2.1
279.23209	4.7
286.52307	1.3
317.24530	2.2
335.25775	35.9
353.26819	39.7
358.16452	1.6
402.77716	1.3
431.78989	1.2
497.31015	6.2
506.98639	1.5
581.07483	1.7
677.34583	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48378	0.2
58.14460	0.2
67.05517	0.2
71.56194	0.2
104.93723	0.2
119.08567	0.3
133.03461	0.3
143.01909	0.2
168.45876	0.2
169.53740	0.2
184.07343	0.2
185.04272	0.6
259.08005	0.3
333.25107	0.4
347.09454	1.3
421.12814	0.3
515.31934	24.6
516.32227	0.3
519.78717	0.2
595.84100	0.3
677.37152	100.0
678.37433	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	677.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.05515	13.6
57.03416	5.3
57.07074	3.2
61.02928	28.4
65.03943	2.2
66.38919	1.7
66.87000	1.8
67.05504	70.5
69.03426	6.0
69.07067	11.6
69.91355	8.1
71.04999	3.6
73.02924	10.0
75.04490	2.0
78.14730	1.4
79.05495	46.6
81.03414	2.6
81.07059	72.3
83.04984	1.4
83.08614	9.2
85.02903	27.7
85.06542	3.6
91.03951	27.1
91.05478	25.1
93.07045	50.9
95.04964	3.8
95.08607	59.4
97.02885	13.7
97.06539	4.1
97.10150	3.9
99.08088	4.4
100.51334	1.6
103.03926	2.0
105.07030	19.1
107.08599	35.1
109.06507	2.1
109.10157	32.3
111.08060	2.7
115.03905	2.1
117.07001	12.2
119.08593	19.2
121.10146	36.7
123.08115	1.9
123.11723	16.6
124.45716	1.4
125.09608	1.9
127.03938	11.4
131.08566	21.5
133.10127	15.1
135.11694	26.6
137.09583	2.4
137.13231	5.0
145.04968	14.2
145.10146	17.3
147.11697	10.5
149.13264	21.5
151.11276	2.1
159.11700	12.7
161.13246	11.7
163.06020	18.8
163.11153	1.8
163.14838	16.4
165.12848	1.9
173.13264	17.7
175.14792	3.8
177.12685	2.5
177.16399	6.4
179.14310	2.6
181.12122	1.5
187.14804	9.8
201.16391	3.1
205.15788	1.9
215.27103	1.6
220.13551	1.4
233.22583	2.4
243.21109	36.3
261.22150	100.0
263.23615	2.2
279.23218	3.8
335.25833	19.2
353.26862	35.7
369.24475	2.4
452.91125	1.6
497.30975	3.2
499.12946	1.9
555.10645	1.8
617.22241	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.01852	1.4
55.05497	3.2
57.03420	2.4
61.02925	5.8
67.05501	5.4
69.03413	2.7
69.07050	3.0
71.04984	1.1
71.35584	1.4
73.02908	2.6
79.05495	5.4
80.74843	0.7
81.03419	60.4
81.07054	6.1
82.88210	0.7
83.04959	2.2
83.08620	15.7
85.02911	6.9
89.19678	0.6
91.03955	5.5
91.05477	7.7
93.07049	4.0
93.75552	0.6
94.61446	0.6
95.04371	1.2
95.04971	20.7
95.08566	1.0
97.02885	5.3
97.06537	6.7
105.07033	5.4
107.04966	3.9
107.08604	2.4
109.02892	1.1
109.06515	1.4
109.10148	1.4
111.04438	2.0
111.08077	8.3
117.06977	0.8
119.04915	1.2
119.08568	6.4
121.06496	1.9
121.10148	3.8
123.04408	1.6
123.08037	0.8
123.11744	0.9
125.05975	0.7
127.03915	3.0
129.07019	6.6
131.04906	0.7
131.08574	4.7
133.06474	1.9
133.10132	3.4
135.07997	0.6
137.05966	7.9
137.09595	1.8
139.56506	0.9
142.07805	1.4
145.04970	3.5
145.10141	0.9
147.04364	1.7
147.08031	2.7
147.11705	4.7
149.09596	3.0
157.10123	7.9
163.06023	5.5
163.11211	1.5
165.12730	1.0
166.30328	0.7
171.11755	0.9
171.33537	0.8
172.05705	0.7
175.11188	9.8
189.09064	0.8
189.12788	1.0
193.12247	50.7
211.13313	4.6
233.11642	4.4
235.13277	2.8
237.91336	0.7
250.14383	8.5
251.12766	1.3
259.13297	2.1
267.11475	1.1
267.15915	24.1
273.14764	1.1
285.16962	100.0
286.17346	1.6
287.05527	1.8
299.18475	1.3
301.14352	2.0
309.16968	14.2
313.11786	1.0
327.18069	3.7
351.18124	3.4
363.17963	5.5
373.13998	3.6
375.17865	1.7
393.18982	2.8
411.20145	2.9
429.20892	1.4
437.20862	0.7
524.34863	0.7
545.56134	0.7
581.25928	0.9
598.57550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
55.01857	2.6
55.05518	4.1
57.03441	5.1
57.21961	0.9
61.02928	7.8
62.59473	0.7
65.03923	0.8
67.05233	0.7
67.05507	8.3
67.32191	0.8
69.03408	2.8
69.07072	4.5
69.19188	0.7
69.19951	6.8
70.06595	1.4
71.01334	1.1
71.04984	1.2
73.02904	2.6
79.05489	10.0
79.87462	0.6
81.03419	76.9
81.07057	8.8
82.38275	0.6
83.04990	3.6
83.08143	1.3
83.08616	18.2
85.02902	10.9
91.03954	7.8
91.05481	11.6
93.07056	5.8
95.04969	25.6
95.08578	2.3
97.02904	6.4
97.06538	16.9
97.07537	0.7
97.10183	1.5
98.21521	1.7
105.07037	8.7
107.04963	5.4
107.08610	3.7
108.04462	2.9
109.02881	1.6
109.06512	3.0
109.10178	1.4
111.04422	2.8
111.08089	10.0
113.05967	0.8
117.06989	1.5
119.04931	2.2
119.08578	8.3
121.06510	1.8
121.10162	5.1
122.05984	1.1
123.04412	2.4
123.08100	1.9
123.11746	0.9
125.09592	1.4
127.03926	3.4
129.06984	5.4
129.76649	0.8
131.08562	5.9
133.06476	3.0
133.10129	4.7
137.05984	14.7
137.09637	1.0
140.07104	3.4
142.07791	1.0
143.08586	0.8
145.04991	3.6
145.10124	1.8
146.05995	3.3
147.04405	2.2
147.08011	1.8
147.11681	7.7
148.07529	0.9
149.05971	1.0
149.09618	4.6
151.11205	1.1
155.08595	0.9
157.10124	9.4
163.06053	6.4
163.11142	1.8
165.12720	1.7
166.04973	0.8
168.06519	4.5
171.06755	0.9
174.05545	1.9
175.11171	11.6
189.09100	2.1
192.06577	0.9
193.12242	56.9
194.12561	1.0
194.45090	0.7
204.06541	2.4
206.08163	3.0
211.08704	5.1
211.13376	4.9
212.09389	1.3
222.09279	1.6
223.08670	1.6
224.10759	2.1
225.10156	5.2
226.10977	1.3
233.11732	8.3
235.13300	3.7
239.11798	7.4
240.08836	1.0
241.09727	1.9
250.08701	1.5
250.14391	16.7
251.08162	1.0
251.12758	2.5
252.08807	1.6
253.09727	4.3
254.10437	1.1
259.13226	1.2
267.11499	12.6
267.15906	46.6
268.15643	2.1
269.12796	1.4
278.08051	1.1
281.09305	1.5
284.11545	0.8
285.16965	94.3
286.17300	1.1
295.10742	7.6
297.12344	1.3
299.10532	1.0
301.14355	1.7
309.16959	19.0
313.11819	39.9
323.10257	3.1
323.31226	0.7
324.11310	1.3
327.18158	1.7
333.12112	1.1
341.11322	20.2
345.14520	1.1
351.18109	1.7
355.12903	2.3
359.12469	3.2
363.18118	3.6
371.67465	1.0
373.13943	100.0
374.14407	3.6
375.17767	4.4
393.19083	3.6
411.20123	3.7
429.21198	12.4
464.18723	0.7
482.19293	6.3
496.20816	2.0
514.21887	10.7
591.26801	1.2
626.23700	1.3
644.24603	2.1
647.21014	0.8
658.25726	1.4
676.26630	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.01857	2.0
55.05513	7.4
57.03444	4.2
57.07064	2.7
61.02925	21.6
65.03918	1.2
67.05505	19.2
69.03420	4.7
69.07066	8.4
69.38576	5.7
71.01337	0.6
71.04978	2.9
71.08622	1.6
73.02922	8.3
75.04456	1.2
77.03951	0.7
79.05492	25.8
80.05851	0.6
81.03427	5.6
81.06583	1.1
81.07057	21.5
83.04962	1.2
83.08620	4.3
84.69791	0.7
85.02904	22.7
85.06524	1.9
91.03411	1.0
91.03954	17.0
91.04903	1.3
91.05479	32.1
93.07043	34.5
95.04980	4.1
95.08605	16.9
97.02893	12.7
97.06525	3.5
97.10184	1.3
98.20747	1.3
99.04433	1.9
99.08105	1.6
103.03978	0.9
103.05446	1.3
105.07029	34.0
107.04932	1.5
107.08592	20.5
109.02880	0.8
109.06490	2.5
109.10149	8.0
111.04424	0.8
111.08076	1.5
113.09691	1.2
115.03920	1.2
115.05444	0.8
116.97327	0.7
117.07011	10.9
119.08580	29.8
121.06502	1.8
121.10139	15.0
123.08055	1.2
123.11697	1.4
125.09610	1.3
127.03923	6.0
128.06233	1.8
129.06999	9.5
131.08560	13.9
133.06491	1.4
133.10135	25.3
135.08011	2.4
135.11688	14.2
137.06046	0.6
137.09648	1.8
137.13193	0.9
141.06963	1.2
142.07780	1.6
143.08571	10.3
145.04956	6.9
145.06488	1.7
145.10115	16.5
147.08083	1.3
147.11682	22.4
149.09660	3.4
149.13252	9.2
151.11259	1.0
153.09116	0.7
155.08517	2.5
157.06487	1.1
157.10155	7.6
159.08026	1.7
159.11688	12.8
161.05956	0.7
161.09567	2.2
161.11966	1.3
161.13254	16.5
163.06004	6.4
163.11171	2.6
163.14766	2.6
167.08522	0.8
169.10161	3.2
171.08051	1.2
171.11687	11.5
173.09695	1.0
173.13251	9.8
175.11131	1.6
175.14812	9.0
177.12720	2.2
179.08582	1.1
181.10098	1.3
183.07982	1.3
183.11707	2.7
185.09581	1.3
185.13258	9.8
187.11189	1.5
187.14803	3.3
189.12694	1.8
189.16408	0.9
191.14264	1.3
193.15910	0.7
197.09531	1.1
197.13235	2.1
199.11192	0.9
199.14871	5.0
201.12749	1.5
203.14256	1.1
207.11702	1.0
208.21654	0.7
209.13301	1.3
211.11278	1.1
211.14847	1.2
213.16402	1.9
215.17999	1.2
217.15927	1.5
217.19513	2.2
223.11258	1.1
223.14832	0.9
225.12872	0.8
231.17451	1.4
231.21071	4.9
241.19504	18.1
257.19025	1.2
259.20572	47.5
271.20511	1.5
273.22250	1.1
275.20120	1.4
276.20419	1.2
277.21616	1.4
285.22058	1.0
295.20493	1.1
301.21664	2.8
313.21619	1.3
325.21341	1.0
333.24127	2.0
339.23154	0.7
343.22531	0.8
349.23578	4.0
351.25281	100.0
352.25674	2.2
357.15616	0.9
361.23489	0.8
363.25308	4.4
365.27100	1.0
367.22659	3.9
373.23645	0.8
375.25412	3.8
377.27051	0.9
385.23636	1.6
387.25473	1.4
393.26303	2.8
403.24762	1.5
405.26584	1.5
417.26266	4.2
421.25940	1.0
429.26395	2.7
431.27759	0.9
441.26331	8.4
459.27383	7.8
477.28400	8.3
495.29401	9.0
603.31232	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01873	1.9
55.05515	10.3
57.03451	5.6
57.07068	2.7
59.21202	0.9
61.02928	17.7
61.60087	0.9
62.12515	0.9
67.05506	24.2
69.03426	5.3
69.07076	7.4
70.43604	0.8
71.04987	2.6
73.02918	8.4
75.04491	1.0
79.05499	31.6
81.03406	4.4
81.07059	28.1
83.04971	1.9
83.08630	4.4
85.02909	17.4
85.06535	3.0
87.04456	1.0
87.49365	0.9
91.03952	13.7
91.05479	28.4
93.07044	41.6
95.04954	4.2
95.08610	20.3
97.02899	9.7
97.06522	2.9
97.10157	1.8
98.20803	2.4
99.04430	1.2
99.08088	1.7
103.03945	2.0
103.05479	1.0
105.07031	30.7
107.04937	1.3
107.08599	25.5
109.02901	1.2
109.06513	1.9
109.10157	7.5
111.08067	2.5
113.09628	1.3
117.07050	8.1
119.08588	25.6
121.06529	1.4
121.10146	20.4
123.08077	2.2
123.11681	2.4
125.05949	1.0
127.03954	4.7
128.06216	1.6
129.05524	1.2
129.07022	8.9
131.08562	14.3
133.06528	1.3
133.10129	24.9
135.08060	2.6
135.11687	17.5
142.07790	1.1
143.08577	7.2
145.04932	6.2
145.06146	0.8
145.10143	14.8
147.08076	1.7
147.11688	19.8
149.09637	1.5
149.13274	11.5
151.07602	1.0
155.08542	2.1
157.10126	9.0
159.08034	1.3
159.11700	12.0
161.11969	1.8
161.13252	17.8
163.05997	6.8
163.11188	1.8
163.14803	3.9
165.07013	1.1
167.08589	1.7
169.10144	2.9
171.11731	9.4
173.13260	7.5
175.11172	1.7
175.14825	10.4
177.12755	2.2
177.16415	1.1
181.10172	1.3
183.11771	1.9
185.13257	7.3
187.11069	1.6
187.14851	2.8
189.12810	2.2
195.11775	1.6
197.13278	1.7
199.11082	1.1
199.14874	5.5
203.14262	1.5
209.13321	1.3
211.11195	1.2
211.14883	1.2
213.16425	2.6
215.17763	1.1
217.15933	1.1
217.19498	3.1
225.12772	1.4
231.17491	1.2
231.21103	4.3
241.19514	21.8
259.20584	44.5
271.20596	1.8
273.22122	1.1
277.21686	6.1
283.20496	1.8
301.21783	1.7
307.20477	1.0
313.21686	1.1
325.21420	1.4
333.24225	8.3
343.22775	1.3
349.23792	2.1
351.25302	100.0
352.25568	2.1
361.23761	1.1
363.25333	3.4
367.22650	4.2
375.25266	5.7
385.23703	2.4
387.25229	2.6
393.26239	1.4
403.24753	1.8
405.26404	1.0
417.26227	3.3
421.25827	1.4
429.26471	2.3
441.26367	9.9
459.27469	8.8
477.28519	8.0
495.29578	10.4
603.31708	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	0.2
56.96543	0.2
57.03417	0.3
61.02890	0.3
63.62435	0.1
67.05467	0.6
69.07040	0.3
79.05474	0.2
81.03383	0.2
81.07003	0.4
83.04947	0.2
91.03922	0.2
91.05427	0.4
93.07004	0.2
95.08597	0.3
97.02832	0.2
97.06452	0.2
104.10711	0.2
105.07002	0.2
107.08555	0.2
109.10120	0.2
117.06982	0.2
119.08509	0.2
124.99954	0.1
129.06941	0.1
184.07224	0.2
229.14400	0.2
251.27023	0.1
252.96982	0.1
413.15811	0.3
425.16159	0.2
426.17212	0.2
437.12277	0.1
439.13763	0.3
440.14780	0.3
452.15353	0.2
453.15567	0.6
454.16751	1.1
455.13483	0.7
455.18234	0.2
456.14154	0.4
466.16809	0.2
467.13205	0.7
467.17694	0.6
468.13834	2.4
469.14880	9.1
470.15747	1.6
471.16714	0.4
472.17957	0.2
479.17273	0.5
480.17944	0.2
481.14828	2.2
482.15860	12.3
483.16611	11.2
484.17468	2.2
485.18610	0.3
487.16101	0.4
493.19003	0.4
495.17123	1.1
496.17551	6.6
497.18228	47.5
498.18890	4.9
499.20090	0.8
500.16479	0.3
501.17429	0.2
509.18011	0.3
510.19092	2.4
511.19797	6.8
512.20612	1.8
513.19873	0.2
515.19232	1.6
523.16577	0.7
524.18109	0.5
524.79315	0.2
525.21423	0.3
527.15594	0.5
528.16351	2.6
529.17255	0.6
537.18256	0.1
538.20758	1.1
539.22076	0.4
541.17047	1.0
542.17865	2.4
543.18628	0.3
553.21014	0.2
555.18610	1.4
556.19470	3.8
557.20264	4.1
558.20483	0.2
569.20496	0.9
571.21686	0.7
575.21478	0.2
583.21368	0.2
585.23053	0.2
587.21381	0.3
597.22406	0.2
611.21387	0.2
616.21710	1.9
625.23560	0.3
628.21838	0.3
629.22327	0.9
630.23022	0.7
642.22839	0.2
643.23944	8.0
644.24762	9.6
645.24200	0.9
657.25580	8.3
658.25879	0.6
675.26581	100.0
676.26855	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06109	1.5
63.25549	1.0
66.73917	1.1
67.05536	0.9
67.45065	0.9
71.07796	1.7
71.08135	1.2
74.53687	0.9
81.07030	2.0
83.08601	1.7
91.05440	1.4
95.08585	1.5
184.07404	1.3
245.97638	1.0
256.73648	1.0
304.75992	1.2
398.13770	2.3
399.14651	3.4
400.15399	1.1
412.15210	4.4
413.16086	15.2
414.17093	14.4
415.18503	2.3
426.16718	4.4
427.17728	15.1
428.18436	22.0
430.16470	1.3
432.19418	1.8
441.19666	12.1
442.19876	20.0
443.20966	7.4
455.16309	1.5
456.21146	1.4
469.18698	30.6
470.19000	16.0
472.17270	4.1
473.18057	6.8
474.18274	4.4
484.13794	1.3
486.18625	3.2
497.18515	1.6
501.21106	3.6
509.18301	2.6
513.17792	21.9
514.18011	18.5
525.21252	5.6
528.23694	1.3
541.20575	1.4
557.23975	100.0
558.24298	4.9
588.25763	23.7
589.25385	1.5
600.21722	1.5
601.22668	2.0
615.24475	14.1
616.24768	51.7
617.24640	2.0
631.27502	1.3
643.23944	53.1
644.23950	3.1
647.26941	1.7
675.26599	9.1
675.41376	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	675.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.7
56.96567	3.7
57.03440	1.6
57.07079	7.9
58.07409	1.8
61.02933	4.6
63.77340	0.9
67.05498	2.0
69.03445	2.2
69.07063	2.2
69.43887	0.9
69.44382	0.9
70.81738	1.1
70.82069	2.2
71.08636	7.0
73.02504	1.0
73.02914	4.8
81.03382	1.0
81.07042	3.0
83.08620	2.0
85.02901	4.0
85.10169	4.2
91.03942	2.2
95.08604	4.2
97.02882	6.5
98.97578	7.5
99.04435	1.1
109.02945	1.1
109.10140	2.0
110.97558	1.3
111.02036	1.9
112.99112	2.5
116.98665	1.2
119.01786	1.5
123.11723	1.0
127.03905	2.1
131.00171	10.5
134.59570	0.9
143.00214	1.1
145.04932	1.3
146.02266	1.3
147.03091	11.2
147.53278	1.8
149.01228	10.4
156.03627	17.9
156.53789	2.9
158.99655	3.5
167.54413	4.4
168.04643	1.8
170.99605	1.9
177.00677	2.7
182.03345	1.2
191.02258	2.6
219.01619	1.0
228.05737	4.3
233.03328	1.4
239.23630	1.8
239.44432	1.0
266.14651	4.0
266.64896	2.0
286.65976	1.3
293.05423	3.8
311.06494	1.6
313.20392	1.9
313.27371	6.5
314.27615	6.9
315.28070	5.6
318.42825	0.9
331.28473	1.7
332.28833	1.9
347.17227	35.4
347.67389	31.0
348.17520	6.1
367.68365	2.3
368.19058	2.0
384.12332	3.6
385.12985	11.8
386.13657	5.7
397.13147	1.8
398.13840	7.6
399.14566	22.1
400.15341	61.2
401.15747	4.0
408.11841	0.9
411.14423	2.6
412.15277	7.4
413.16238	17.5
414.16901	22.2
415.17465	4.6
418.17737	1.4
425.16446	1.3
426.16843	3.0
427.18185	11.0
428.18762	11.7
429.19272	47.9
430.12158	1.3
430.19360	1.2
440.14331	1.3
441.15274	2.7
442.16245	7.2
443.13525	4.3
444.14374	12.4
445.14371	1.3
447.20129	2.2
454.16617	1.2
455.11523	1.5
455.17200	17.1
456.18076	7.3
457.13971	1.9
457.19284	3.0
458.15488	5.1
459.16324	4.3
469.18790	1.9
472.17184	3.7
473.18283	21.9
481.15210	1.6
482.15698	1.9
483.16733	12.9
484.21307	1.4
487.16165	4.8
491.19186	1.2
495.16669	2.1
499.15820	2.9
500.17090	1.2
501.17612	13.7
502.18246	3.5
511.19623	2.9
512.31238	1.9
512.81213	2.3
513.30615	2.4
516.23700	10.9
523.15979	1.6
524.16968	1.2
527.15576	6.1
539.19360	12.1
540.19495	5.5
541.20233	1.9
543.22400	10.9
544.23279	35.9
555.18805	4.0
560.22754	13.6
569.20129	1.7
570.20642	1.9
571.21912	60.3
572.22217	12.1
573.19464	2.7
575.24725	3.9
585.23273	1.7
587.21490	6.1
588.22205	100.0
589.22076	3.2
593.33508	3.2
593.83856	12.2
594.33588	4.1
597.19525	1.2
601.22681	3.0
603.24261	6.2
615.20886	7.2
616.21039	5.0
619.23499	4.4
629.22382	17.2
631.24127	10.8
647.23505	9.2
657.21973	23.5
674.86438	17.5
675.11139	1.3
675.22583	21.3
675.35651	13.7
675.86548	2.1
676.22632	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.8
55.01873	15.1
55.05515	25.3
57.03439	27.5
61.02932	29.0
65.03935	3.6
67.05506	63.0
69.03083	3.5
69.03430	56.8
69.07064	26.3
69.67057	14.6
71.01357	4.4
71.04980	17.2
73.02911	18.1
79.05499	47.6
80.88303	2.3
81.03417	94.0
81.06585	4.7
81.07057	77.8
83.04979	23.0
83.08612	18.1
85.02432	3.6
85.02906	52.1
85.06535	4.5
87.04475	2.9
91.03949	14.4
91.05479	48.7
93.07044	47.9
95.04953	17.2
95.08610	40.5
97.02892	74.6
97.06522	14.5
97.10162	6.1
98.20757	4.5
99.04445	18.5
99.08094	6.8
101.02383	6.7
103.03931	10.8
105.04508	2.5
105.07039	48.1
107.04939	14.2
107.08599	36.1
109.02887	24.7
109.06498	11.5
109.10147	20.1
111.04424	10.7
111.08054	7.7
111.69633	2.5
112.48561	2.1
115.03949	3.3
117.07015	25.3
119.04955	3.3
119.08585	37.2
121.06509	6.4
121.10138	24.7
123.04413	3.4
123.08081	7.4
123.11686	9.4
125.09637	6.0
125.17500	2.3
127.03899	35.5
129.05464	7.9
129.06989	11.0
131.04941	2.9
131.08583	31.1
133.06494	5.8
133.10130	31.1
135.08040	8.2
135.11696	13.7
137.05971	4.6
137.09593	5.6
139.11119	2.8
142.07785	2.8
143.08557	9.6
145.04945	10.2
145.06421	4.7
145.10126	27.7
147.04379	2.9
147.08047	5.0
147.11682	18.1
149.06026	3.4
149.09612	7.0
149.13251	17.0
151.11176	3.5
153.01820	4.5
155.08537	5.7
157.06514	3.6
157.10109	10.4
159.07993	3.6
159.11676	30.8
161.05988	3.4
161.09631	4.3
161.13272	7.3
163.06076	2.3
163.11180	6.5
165.12756	6.6
169.09998	5.0
171.07895	3.0
171.11682	8.4
173.04457	31.8
173.05873	3.8
173.09598	4.5
173.11816	3.8
173.13271	9.7
175.11200	4.7
177.12724	10.2
179.14363	4.9
183.06544	15.3
183.11676	5.1
184.07404	2.8
185.09613	4.3
185.13226	4.7
187.11221	3.0
189.12801	2.8
193.12190	2.8
195.12085	3.9
195.13766	19.6
197.13252	5.9
201.07552	6.8
201.12787	6.1
207.13681	2.9
213.14844	6.1
215.14296	2.7
219.13828	2.6
227.12692	3.4
229.14244	5.3
229.19437	5.9
239.17909	7.4
247.20616	8.7
255.15967	2.5
257.19046	19.7
261.14972	2.3
267.16116	2.4
269.17484	44.2
275.16852	4.3
275.20053	60.3
275.23074	3.6
285.14670	3.4
293.21100	5.8
297.16946	5.1
299.20221	3.0
301.21158	2.5
303.15826	4.5
311.05811	4.2
321.17014	3.7
323.05435	8.4
325.12473	2.7
331.22681	5.0
339.17972	9.9
342.06052	2.4
349.23752	100.0
350.23862	2.5
355.22485	3.1
367.24936	12.6
373.23648	4.8
374.15872	3.6
374.65958	2.6
377.19391	12.4
383.22171	3.5
391.24805	6.0
395.20401	18.9
413.21796	30.1
421.02475	2.7
435.14398	5.9
442.26389	2.6
457.25592	5.9
475.26819	9.2
493.27957	16.5
511.19974	4.5
511.28839	25.5
673.34509	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	673.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	2.5
53.03951	19.8
55.01875	14.4
55.05515	26.8
57.03439	34.9
61.02932	35.4
65.03929	3.7
67.05508	73.5
69.03432	72.0
69.07071	28.5
69.24535	9.4
69.24960	13.1
71.01347	6.0
71.04997	18.6
73.02911	16.8
79.05068	4.4
79.05496	62.1
81.03417	95.5
81.07059	100.0
83.01366	3.0
83.04987	37.7
83.08610	18.6
85.02904	65.3
85.06546	5.3
91.03961	19.8
91.05483	58.8
93.06477	4.4
93.07049	70.0
95.04972	17.8
95.08606	48.4
97.02894	93.3
97.03522	4.8
97.06526	19.0
97.10151	10.7
99.04449	23.2
99.08070	4.2
101.02374	8.9
103.03960	11.8
103.05453	2.8
105.07030	56.9
107.04934	13.9
107.08589	45.2
109.02886	28.6
109.06506	12.3
109.10159	15.5
111.04444	13.4
111.08067	8.1
115.03930	4.1
115.05452	5.4
117.07029	24.9
119.04900	3.9
119.08597	39.0
121.06494	10.9
121.10152	27.1
123.04425	6.1
123.08060	7.3
123.11687	7.6
125.09630	5.8
127.03927	41.8
128.06239	3.8
129.05527	13.1
129.06979	12.1
130.07756	2.5
131.08574	36.3
133.06471	6.5
133.10129	41.4
135.04427	3.7
135.08034	11.0
135.11670	16.9
135.92905	2.6
137.05960	5.4
137.09647	4.3
141.06976	4.1
142.07755	3.2
143.08549	7.8
145.04955	11.4
145.06480	5.7
145.10136	21.3
147.04405	4.7
147.08028	7.4
147.11707	25.8
149.09613	10.9
149.13249	22.1
151.11217	4.4
155.08553	8.2
157.10149	7.7
159.08034	5.6
159.11674	29.2
161.09595	5.9
161.13284	8.3
163.11208	7.5
168.37682	2.9
169.10109	4.0
171.06612	5.4
171.07983	3.0
171.11662	10.9
173.04468	39.4
173.09593	4.2
173.11897	2.9
173.13185	12.3
175.11180	5.5
177.12776	15.2
179.14267	3.4
183.06535	19.8
183.11688	7.8
185.13260	2.6
187.14772	5.8
195.11832	3.7
195.13800	28.0
197.13150	5.0
201.07639	5.8
201.12776	7.4
211.14888	3.5
213.14867	11.2
215.18102	3.2
219.13860	5.8
225.12802	2.6
227.12770	3.8
229.14319	6.1
229.19444	3.9
233.15239	2.6
239.14265	2.8
239.17946	8.3
247.20581	5.8
257.15298	2.5
257.19061	15.0
261.14841	4.9
267.16086	3.7
269.17474	50.6
269.73575	2.6
273.18243	3.3
275.16858	5.7
275.20068	69.9
285.14566	4.8
293.17834	4.8
293.21161	8.1
297.16876	6.3
303.15933	8.8
311.18771	3.5
321.16943	6.7
331.22690	5.9
335.18643	5.6
339.17908	13.8
347.22461	2.9
349.23761	93.3
350.23978	2.8
355.22531	4.1
365.20010	3.5
367.24805	16.9
377.19437	11.5
391.24704	4.9
395.20560	22.4
413.21692	51.3
415.24692	3.3
419.24478	4.4
426.11975	2.6
439.24811	3.8
457.25659	4.9
475.26700	5.6
493.27997	23.3
511.29074	28.6
575.26587	3.1
655.32684	3.2
673.33612	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	672.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19318	1.5
55.05505	6.1
56.05025	2.0
56.82119	1.7
57.07080	9.5
61.98428	1.6
67.05509	25.5
69.07050	2.6
69.47848	11.6
71.07382	11.7
71.08635	6.6
77.28265	1.5
79.05494	2.1
81.07064	8.4
81.07463	1.7
83.04990	4.6
83.08606	4.4
85.10200	3.5
86.09710	61.2
91.05500	2.8
93.07047	3.2
95.08615	5.3
98.21599	2.0
107.08607	2.1
109.10154	16.8
119.08616	2.8
125.93504	2.0
133.10065	1.7
146.98184	33.3
165.64162	2.0
174.05869	1.7
175.01614	3.0
181.02673	4.0
205.08353	9.1
206.08803	4.6
209.11543	4.8
221.11531	5.3
227.04785	2.6
235.13060	11.6
236.13414	3.9
251.12553	2.4
255.54568	1.9
263.12677	5.5
264.13083	2.7
277.14081	14.5
278.14517	10.9
313.12070	3.2
335.53888	1.6
346.21161	2.6
347.21988	7.2
348.22470	3.8
349.19537	2.1
424.01648	1.7
489.35535	59.1
506.32416	2.3
548.37811	1.9
613.34766	100.0
655.31549	7.0
672.41974	58.6
673.42151	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	673.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.6
53.03944	8.5
55.01870	11.9
55.05516	26.4
57.03443	22.8
57.14480	1.8
61.02933	32.2
64.54786	1.4
65.03928	4.1
67.05505	48.5
69.03074	3.2
69.03431	43.4
69.06720	3.5
69.07069	31.3
69.63432	8.0
69.63834	3.6
71.01357	4.2
71.04990	6.8
72.49359	1.5
73.02920	12.6
75.04446	1.7
79.05066	2.7
79.05499	41.6
81.03425	45.1
81.07061	53.5
83.01336	3.5
83.04985	13.0
83.08630	14.6
85.02911	46.7
85.06535	3.2
87.04458	3.7
90.13704	1.4
91.03952	16.2
91.05492	38.6
92.30216	1.5
93.06470	3.0
93.07047	42.0
93.48077	1.9
94.47485	1.5
95.04984	13.5
95.08611	28.4
97.02895	53.5
97.06551	12.5
97.10175	12.1
98.21426	2.6
99.04462	12.1
99.08107	2.7
101.02377	7.0
103.03944	6.9
103.05493	2.5
105.06380	3.1
105.07031	35.2
105.54522	1.6
107.04963	11.1
107.08596	37.7
109.02888	21.9
109.06521	6.8
109.10165	19.9
111.04448	5.5
111.08104	2.9
115.03988	3.1
117.07030	21.1
119.04932	1.9
119.08594	30.3
119.09367	1.2
121.06500	6.8
121.10131	15.9
123.08060	6.3
123.11697	3.1
125.09637	12.0
127.03927	33.2
129.05469	6.9
129.07002	9.3
130.07761	2.9
131.04832	2.4
131.08580	24.5
133.06512	3.6
133.10139	25.8
135.08072	7.6
135.11725	10.0
137.09619	3.1
139.11169	2.1
141.06981	3.4
143.08549	8.2
145.04944	7.4
145.06454	3.8
145.10126	24.6
146.65710	1.6
147.08008	4.3
147.11711	14.9
149.09654	12.8
149.13258	8.7
151.11194	1.8
153.09111	2.2
155.08609	4.0
157.10143	10.2
159.08118	2.5
159.11688	20.0
161.09579	3.7
161.13290	8.5
163.06055	1.9
163.11224	9.1
165.05534	1.9
165.12772	2.7
169.10127	4.9
171.10255	4.3
171.11722	6.2
173.04497	10.6
173.09615	3.7
173.11746	5.3
173.13281	8.3
175.11179	3.3
177.12788	10.0
179.14342	4.9
183.06538	8.8
183.11658	4.5
185.13292	2.6
187.11111	3.8
187.14886	2.0
189.11209	15.3
193.12234	2.1
195.13843	6.6
197.13319	3.8
201.07622	5.5
201.12675	3.0
205.12244	3.1
211.11182	2.0
211.14818	2.0
213.14861	2.8
215.14459	2.5
219.13780	2.3
227.12747	9.7
229.14377	10.4
229.19493	6.1
239.17978	6.3
247.20619	5.8
251.73209	1.7
255.15875	1.7
257.19019	19.6
269.17462	10.7
273.18414	2.7
275.20078	73.9
293.18100	2.0
293.21143	9.6
299.20273	2.3
303.15848	1.8
321.24277	2.9
331.22678	5.1
339.18039	3.7
349.23740	100.0
350.24237	2.2
365.20987	2.6
367.24719	5.1
371.16928	2.3
373.23746	3.6
377.19067	2.3
377.23462	2.3
391.24701	6.6
395.20596	5.1
401.23352	1.9
413.21796	12.2
415.24802	2.2
419.24216	4.2
439.24628	2.2
445.25705	2.5
457.26166	4.9
475.26785	7.1
493.27890	15.2
511.29156	16.2
673.33710	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	671.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56249	0.4
51.66537	0.4
54.22763	0.4
57.07071	0.4
65.73894	0.4
67.05508	0.8
69.60075	3.0
79.05458	0.4
81.07052	0.9
93.07043	0.9
95.06698	0.4
95.08615	0.6
105.07016	0.7
107.08469	0.5
221.11488	0.5
235.13161	0.8
251.12621	0.7
261.14743	2.1
265.14099	0.6
278.20221	0.5
279.15781	0.8
310.16946	0.5
345.20691	0.6
347.18146	0.6
347.21988	0.6
361.20108	0.6
363.21616	1.0
379.20938	0.8
429.30524	0.5
470.22949	0.5
559.37097	0.6
671.45001	100.0
672.45483	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	672.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.05511	3.8
57.03188	0.4
57.03444	3.8
57.07076	39.2
61.02926	15.4
64.56030	0.3
65.11570	0.3
67.05504	9.6
69.03429	1.9
69.07067	8.0
70.71728	0.9
71.04998	0.6
71.08630	30.3
72.73592	0.3
73.02916	4.3
75.04478	2.2
79.05492	0.8
81.03414	0.8
81.07058	15.0
83.08619	11.0
83.15731	0.3
85.02903	19.4
85.06540	0.7
85.10179	18.5
89.06030	0.7
91.03951	15.6
91.05503	0.4
92.98209	0.2
93.07041	1.0
95.08605	23.5
97.02889	9.0
97.06521	0.4
97.10175	6.0
99.04446	0.7
99.08110	0.3
99.11738	1.1
103.03949	0.5
103.07599	0.6
105.07014	0.3
107.08628	0.5
109.02902	0.9
109.10160	11.9
111.11725	1.2
113.13283	0.7
115.03944	0.9
121.10203	0.4
123.11706	5.2
125.13273	1.2
127.03913	5.4
128.62724	0.2
137.13254	2.1
139.14809	0.3
145.04961	8.0
151.14838	0.9
163.06012	13.7
165.16420	0.5
204.08693	0.4
221.22719	0.9
239.23682	20.4
240.24123	0.5
257.24744	4.8
267.53009	0.3
298.27213	0.4
313.27353	100.0
314.27716	1.6
325.11298	0.4
331.28409	50.1
332.28662	0.9
401.28870	0.3
475.32559	0.6
610.47559	0.4
672.41406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40467	1.1
51.51387	1.4
64.73286	1.5
69.07059	1.6
69.85723	6.5
81.07047	1.5
90.88527	1.4
93.07005	1.8
93.72539	1.2
112.84401	1.4
158.84692	1.4
217.51552	1.5
266.76489	1.6
300.24295	1.3
352.54990	1.4
362.53247	1.8
376.16678	2.0
389.17325	2.8
390.18542	2.3
391.19174	5.3
399.15991	4.7
400.16858	2.0
401.18094	1.7
403.18881	2.4
404.20004	1.5
405.20605	6.7
406.21561	2.6
411.16202	4.4
412.16910	2.9
413.17609	9.4
414.18469	3.2
415.19183	3.3
416.20096	1.7
419.18457	2.3
423.16071	2.0
423.21753	1.6
426.18188	5.7
427.19525	14.3
428.20261	7.3
430.17892	2.6
433.19913	2.6
434.20871	2.1
435.21555	2.1
439.15469	2.3
441.20554	6.6
442.21539	6.0
443.18454	3.2
445.16031	2.4
454.17743	2.7
455.18604	6.2
456.19467	4.2
457.20834	2.4
461.19266	2.1
469.20782	7.6
470.21735	7.4
471.17245	8.2
472.19092	2.6
473.19855	7.0
482.17514	3.8
483.18039	4.5
484.19031	5.8
485.19675	2.1
487.20840	5.0
489.19489	1.9
496.18332	2.4
497.19727	17.0
498.21231	10.8
500.18182	1.7
501.19391	2.8
505.22452	2.2
514.19421	1.5
515.20715	5.5
516.21332	1.6
517.22552	2.1
525.18982	6.0
526.20453	2.3
529.22534	9.0
541.22150	4.0
547.23035	1.8
549.24597	2.5
557.21863	80.7
558.22290	3.2
565.19788	5.6
585.21191	20.8
593.19592	28.1
617.23956	42.3
618.24451	2.4
621.18866	5.4
625.21808	3.2
635.25049	7.4
653.21619	100.0
654.21906	2.4
671.22424	21.2
671.45221	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99728	0.7
51.02940	0.7
56.36225	0.8
57.96580	0.7
59.01764	0.9
71.56228	0.9
73.72167	0.8
84.22697	0.8
95.08584	1.1
119.20492	0.7
180.97383	0.8
396.95392	0.9
397.14307	0.9
398.15259	1.3
399.16156	2.1
405.20877	1.3
413.17746	3.9
414.18539	1.6
415.18869	1.1
425.17603	1.2
426.18475	2.3
427.19028	3.5
427.83499	1.1
428.19977	2.3
429.21112	1.4
435.14063	1.4
440.16449	1.3
441.16486	1.5
448.14587	2.6
449.15125	2.5
455.18481	2.5
463.17444	2.3
469.20126	1.9
477.19028	1.0
478.15326	3.9
479.16251	1.6
483.18246	1.6
485.19498	1.4
490.15582	1.2
491.16226	2.3
492.17087	1.3
497.19537	2.3
501.22629	1.1
501.33716	0.9
505.18085	2.0
506.18695	2.4
507.15826	3.8
515.21191	1.1
518.14667	1.1
519.15570	3.8
520.16675	3.5
533.17401	6.6
534.16986	1.1
537.20435	2.7
551.18073	1.5
557.21631	2.4
558.22638	1.1
561.16602	2.5
563.21216	1.1
565.20062	6.9
577.20325	1.8
579.25690	1.4
586.21716	1.5
593.19476	47.0
594.19849	0.9
621.18915	12.3
638.27588	4.2
653.21606	100.0
654.21118	3.8
671.22327	1.5
671.43054	1.1
691.63818	1.0
701.36652	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2921
Annotation	Agrimol G
Peak:m/z	Relative Intensity
64.05835	0.5
67.05507	1.0
79.05508	0.8
81.03481	0.5
81.07067	0.7
83.89734	0.4
91.05489	0.7
93.07061	0.5
94.92199	0.5
107.08583	0.6
107.64577	0.5
130.52931	0.5
133.10141	0.6
164.35957	0.4
184.07448	0.6
231.77158	0.4
245.86739	0.5
257.94650	0.5
309.66306	0.6
311.26071	0.6
370.25742	0.5
391.19446	1.4
393.21063	0.8
405.17145	1.7
406.17819	1.2
407.23065	2.9
409.23306	0.5
418.17731	0.8
419.18274	3.0
420.19638	1.7
421.20166	3.1
422.20956	0.6
423.21884	1.0
432.19196	0.9
433.20358	11.2
433.25470	0.7
434.21277	4.7
435.22092	5.4
436.22516	0.7
446.21042	0.7
447.22488	2.2
448.18695	0.7
449.19711	5.2
462.20355	1.4
463.21246	2.8
464.22156	1.5
477.22745	0.5
478.24759	0.5
481.22028	0.7
493.22482	1.4
495.24146	1.2
496.24860	0.5
505.22153	1.1
507.19882	0.8
508.20877	0.6
509.21436	0.9
520.24896	1.0
521.26251	6.1
522.22400	3.5
523.23480	3.0
535.23480	1.3
549.25061	4.3
567.22528	1.4
580.26855	1.8
581.27167	1.7
591.25879	0.7
592.26428	0.7
609.27136	16.4
610.27618	1.1
637.26813	0.7
651.28406	0.9
669.29211	100.0
670.29401	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
55.01865	0.9
55.05529	0.3
57.03442	2.0
60.43936	0.2
61.02937	1.1
65.03939	0.4
67.05506	1.1
69.03432	0.4
69.07069	15.1
69.58986	0.5
69.59389	1.0
71.05007	1.1
78.63361	0.2
79.05496	6.8
81.03406	0.2
81.07057	0.8
85.02917	0.3
85.06560	0.5
87.08085	0.3
91.05482	6.1
95.04977	0.6
97.06531	46.0
98.06882	0.3
105.04535	0.3
107.04970	1.0
109.06544	0.5
111.08089	0.9
117.06969	0.3
119.04949	4.2
121.06492	0.6
123.04431	0.8
129.09120	7.8
131.08554	0.4
133.06490	0.9
135.04405	1.7
137.05977	61.6
147.04390	3.0
147.08090	0.3
148.05193	1.3
149.06001	1.0
149.09583	0.5
151.72762	0.3
156.23195	0.2
158.99687	0.3
159.08124	0.6
161.09608	0.4
163.07544	0.8
164.07080	1.7
173.05965	0.3
177.09109	7.5
177.10660	0.5
186.06848	0.3
187.11223	0.4
189.09109	10.8
197.09621	0.3
205.12367	0.3
206.11763	7.6
206.13739	0.4
207.13847	0.5
215.10686	3.0
232.13274	0.5
233.11719	39.3
234.11986	0.4
247.13315	4.7
250.14391	12.5
264.15942	100.0
265.14322	21.7
266.14761	0.4
282.16995	7.7
314.33667	0.2
553.49664	0.2
647.12970	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.7
57.07062	0.6
65.58650	0.4
67.05507	1.7
69.07055	0.6
71.22858	0.7
79.05494	0.9
81.07060	1.8
82.62531	0.4
91.05477	1.2
93.07066	1.3
95.04974	0.4
95.08606	1.0
98.02479	0.4
105.07021	0.7
107.08634	0.7
108.53867	0.4
109.10178	0.6
113.03401	0.4
114.13338	0.4
119.08596	0.7
121.10112	1.3
143.68533	0.4
159.11674	0.5
170.34474	0.4
188.05736	0.4
225.13899	0.5
249.13853	0.5
261.13785	0.5
263.15018	0.5
303.15411	0.4
314.16745	0.4
328.14624	0.5
375.17654	0.4
377.17758	1.2
378.18869	0.5
379.19467	1.6
391.19223	0.7
393.20706	1.8
404.19806	0.4
405.16760	0.9
405.21536	0.6
406.17670	0.8
407.17938	0.9
407.23013	2.4
417.21432	0.7
419.18787	0.9
420.19614	1.8
421.20148	6.2
421.24695	0.5
433.20691	2.0
434.16531	0.7
434.21683	1.2
435.21869	6.2
436.22644	5.3
437.23685	0.9
445.20233	1.0
447.22058	1.6
448.17975	0.9
448.23416	1.0
449.23660	6.2
450.24316	1.4
459.07230	0.5
459.21979	1.4
460.23257	0.6
461.19470	3.4
462.20297	0.7
463.20676	12.9
464.21869	0.9
465.23010	1.0
473.23380	1.8
475.21631	2.5
476.22141	3.4
477.23508	0.9
479.24692	1.1
481.22552	0.6
490.23804	0.8
491.25012	3.6
493.18515	0.8
494.23767	0.6
495.23572	7.7
503.20984	0.6
505.19089	0.5
505.26047	1.6
507.24091	3.7
508.24557	1.0
518.23285	0.5
519.23981	0.6
520.21008	0.6
521.25708	1.4
522.26294	4.0
523.27155	28.2
524.27856	0.5
531.23810	1.3
532.24994	1.5
533.25403	1.2
535.23694	2.7
549.25177	2.3
550.25684	6.9
551.26550	1.8
553.23956	0.5
564.27643	2.5
565.28741	0.9
567.26263	2.8
577.24402	1.8
580.24475	0.7
581.27594	2.0
582.28400	32.4
583.28778	0.8
591.25977	1.4
609.26996	10.3
610.27484	1.1
619.25702	0.6
637.26318	3.1
651.27972	2.8
669.29199	100.0
670.29535	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.9
53.04432	0.4
55.01814	0.7
55.05439	4.1
55.05726	0.6
59.06059	0.7
67.05420	5.8
69.06982	3.9
69.99119	2.2
79.05400	4.8
81.03362	0.9
81.06966	7.3
82.07305	0.6
83.04881	1.4
83.05331	0.5
83.08523	1.5
85.06467	0.8
88.32188	0.4
91.05384	4.8
93.07044	5.6
94.07301	0.5
94.60065	0.6
95.04861	1.8
95.08601	3.9
97.06437	2.0
97.10060	2.4
99.07991	0.5
103.08678	0.6
105.07038	5.0
106.06492	0.6
106.07277	0.6
107.08586	5.0
108.08846	0.8
109.06457	0.6
109.10155	2.3
109.10709	0.5
111.08031	0.7
117.06907	1.6
118.06495	0.5
119.08594	3.9
120.08038	0.6
120.08858	0.6
121.06415	0.5
121.10152	2.6
123.07961	1.0
123.11562	0.6
125.09520	1.8
129.06941	0.9
131.08563	2.5
133.06276	0.5
133.10149	3.8
135.07933	0.9
135.11571	2.1
137.09511	0.7
144.08063	0.8
147.11664	2.2
149.09570	1.2
149.13191	1.2
150.03297	0.5
157.10100	1.0
159.11545	1.7
160.11975	0.5
161.13177	1.0
163.11066	0.9
164.08403	0.5
166.44037	0.5
171.11624	0.7
173.13179	1.4
177.12643	0.9
181.12120	0.9
182.09505	0.5
183.11584	0.9
195.09157	0.5
195.13683	0.9
203.12654	1.8
209.10622	1.6
215.14310	0.6
215.20866	0.5
221.10710	0.9
223.12097	0.9
227.16367	1.1
229.38567	0.6
233.10748	1.0
235.12279	0.9
237.10138	1.1
239.11841	0.5
239.17909	0.6
249.10097	1.8
257.18951	1.4
263.11700	0.7
275.08060	0.5
275.20074	5.9
276.20346	1.8
277.21503	0.8
278.21896	0.5
282.13693	0.9
286.13254	0.5
289.21454	1.3
296.11581	0.5
298.13293	0.6
307.22632	1.7
308.22824	0.6
312.11423	0.8
312.14874	1.0
314.13052	0.7
324.11206	0.6
324.14761	0.9
325.11960	0.7
326.12848	1.1
327.13684	0.7
328.14621	0.7
336.14984	0.6
337.12344	0.7
338.12866	1.3
339.13690	0.8
340.14368	1.5
342.12268	0.8
348.14813	0.7
350.16602	0.6
352.14252	0.7
353.11368	0.8
353.15283	0.6
354.12170	1.1
354.16058	0.8
358.11771	0.6
359.12811	0.6
364.10483	0.6
364.14471	0.8
366.08353	0.5
366.12344	1.2
368.13828	1.3
371.12524	0.6
373.14087	0.6
375.15930	1.6
376.16959	1.7
377.17728	1.6
378.19409	0.5
380.13849	0.8
381.10910	1.1
382.15775	0.5
384.13477	1.1
385.14081	1.3
386.15256	1.6
388.17099	1.1
389.17902	2.6
390.18460	4.1
391.19229	9.1
392.10147	0.8
392.20276	0.8
396.13416	1.1
397.13983	0.6
398.15112	1.7
399.16043	0.6
400.16794	1.2
401.17548	1.6
402.18433	0.8
403.19672	3.1
404.20361	2.3
405.20862	8.9
406.21512	3.4
407.22012	1.0
410.11032	0.8
410.18713	1.1
412.16840	0.5
413.12860	0.6
413.17789	1.3
414.18539	1.0
415.19110	1.6
416.16122	1.4
417.16815	1.7
417.20901	1.8
418.17322	0.9
418.22144	1.0
419.22720	5.7
420.23309	2.3
421.16440	0.8
425.13699	0.9
428.15924	1.7
429.16959	1.5
430.17523	0.9
431.18378	2.5
433.19977	5.4
435.17780	4.1
436.18921	1.6
440.15860	0.8
441.16608	1.1
445.20065	2.2
446.21381	0.6
447.22247	3.8
448.23325	0.6
449.19766	6.0
450.20590	2.3
451.21130	1.4
457.16623	1.4
458.17349	0.8
459.21680	1.7
460.23090	0.7
461.18826	4.9
462.20044	0.6
462.24854	0.6
463.21729	4.6
464.22232	2.5
465.22980	8.9
471.18018	1.0
472.18884	1.7
473.19971	3.4
474.20709	0.9
475.21210	1.6
477.22903	1.9
478.24301	2.2
479.20499	3.8
487.21875	4.7
488.18121	2.4
489.18399	3.5
491.20715	1.7
492.21609	1.6
493.22180	31.8
494.22781	1.6
497.19241	0.8
500.18283	1.1
501.19104	6.4
503.20367	1.1
505.18643	3.2
506.23688	1.1
507.23712	1.5
514.19434	1.0
515.21124	8.4
516.21753	3.7
517.22162	0.9
519.24731	2.8
520.24988	1.2
521.25653	9.6
523.23126	0.8
529.23358	0.5
531.21875	0.7
533.22015	4.6
537.24963	3.5
543.19995	1.0
545.21442	0.6
547.23517	6.9
548.23962	1.0
549.24652	0.9
551.27179	10.4
552.27118	2.0
557.22028	1.6
559.19769	0.8
561.21790	1.8
565.24475	27.6
566.24915	0.7
574.22253	1.8
575.22931	8.4
576.23242	1.3
579.16882	0.7
579.26031	16.4
580.26813	66.9
581.27118	2.0
589.24451	5.3
592.23108	0.8
603.22308	0.7
607.25531	38.6
608.25970	0.8
617.23804	2.0
621.27106	1.0
635.25024	28.5
636.25281	0.9
639.28131	6.4
649.26581	31.7
650.26886	0.6
667.27655	100.0
668.27588	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	667.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.4
59.06131	0.9
67.05500	1.1
69.28078	8.2
70.20967	0.8
74.79361	0.9
79.05509	1.2
81.07055	1.3
91.05441	1.3
103.01431	0.8
105.07033	1.6
119.08562	2.0
121.10130	1.5
133.06425	0.9
133.10175	1.1
141.24222	0.9
144.90764	0.8
363.16199	1.7
375.16199	0.9
376.16910	2.1
377.17667	5.4
378.18481	1.6
386.80975	1.0
390.18500	1.7
391.19177	9.4
392.20029	5.8
401.17657	1.1
405.16364	1.5
405.20938	4.5
406.21533	2.6
407.22366	10.7
417.21124	1.5
419.18210	5.6
420.19455	3.1
422.17566	1.0
431.18695	1.7
433.20163	2.5
434.21097	3.5
435.21878	9.8
436.18939	2.7
445.20828	1.4
447.18057	2.5
449.19839	1.4
451.21341	8.2
459.18063	4.4
461.19034	1.7
461.24359	1.8
462.24454	1.1
463.25381	1.9
465.22858	3.4
473.19971	4.5
474.20502	4.8
475.21277	1.1
477.19089	2.1
479.20853	36.9
487.22107	1.2
488.22104	1.3
489.23630	6.3
491.24490	2.5
493.22208	8.5
494.23114	4.6
501.19040	4.7
502.20172	3.2
505.18185	7.4
515.20636	6.3
516.21454	2.1
517.22382	86.4
521.25641	3.6
547.23224	2.3
549.24994	76.3
564.23730	1.3
565.24176	3.6
575.22992	9.4
576.23413	2.4
579.25635	1.3
580.26648	1.6
593.23950	13.2
607.25281	8.1
608.26318	12.7
631.55804	1.2
635.24988	100.0
636.25385	2.7
667.27496	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33556	1.0
54.24465	0.9
66.53400	0.7
67.05508	1.2
71.56458	1.2
78.12552	1.0
79.05505	1.3
81.07056	1.2
91.05476	0.9
92.53703	1.0
93.07046	1.0
105.07042	1.3
107.08637	1.0
119.08662	1.0
121.10148	1.0
129.07004	0.9
184.07417	1.0
224.09734	0.8
276.84570	0.9
277.52493	0.9
345.20340	6.5
363.16376	1.2
376.17001	2.3
377.17587	6.6
378.18451	1.3
389.17871	1.2
390.18665	1.4
391.19202	9.7
392.19916	6.2
405.21039	5.2
406.21533	1.6
407.22415	9.3
419.18091	6.6
420.19205	1.6
421.16367	1.9
431.18781	1.9
433.20099	2.6
434.21036	3.7
435.21799	10.4
436.18927	1.9
447.17535	1.5
447.22318	1.4
450.20654	1.6
451.21231	9.8
459.17880	5.6
461.19415	2.5
461.24088	1.2
462.24438	1.3
463.25558	1.7
465.23444	4.3
473.19839	3.6
474.20731	4.6
477.19031	1.0
479.20786	33.5
487.17325	1.3
489.23608	5.6
491.24490	1.1
493.22366	8.0
494.23248	4.6
501.19577	5.4
502.20142	2.8
505.18121	7.3
515.20789	6.1
516.21423	3.6
517.22369	80.9
518.22443	1.8
521.25751	2.8
547.23303	3.0
549.24988	76.9
550.25488	1.8
565.24750	4.1
575.22827	9.3
576.23401	1.3
579.26257	1.6
580.26471	1.9
593.23859	14.3
603.23322	1.1
607.25519	9.4
608.26312	10.9
635.25024	100.0
636.25513	3.0
667.27643	67.8
668.28180	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60799	3.3
53.03944	11.5
55.01864	13.6
55.05511	53.4
57.03428	15.1
57.66768	3.0
59.05002	6.2
62.83369	2.6
65.03939	5.7
65.27667	3.2
66.69032	2.9
67.05507	100.0
67.33903	2.8
68.05035	21.0
69.03425	15.6
69.07071	85.4
69.10754	3.1
71.01347	9.7
71.04991	17.7
71.57147	3.8
79.05495	81.9
81.03425	38.8
81.07057	88.0
83.04979	22.4
83.08620	22.0
85.02908	5.2
85.06550	7.8
86.50090	3.0
91.05483	71.0
93.07042	76.0
95.04971	36.0
95.08605	51.0
97.02888	14.3
97.06538	65.6
97.10179	32.1
99.04474	3.2
99.08074	4.9
105.07024	52.5
105.20089	3.2
107.04956	19.8
107.08598	44.2
109.06525	31.2
109.10160	31.8
111.08076	11.7
113.05999	7.2
113.96289	3.0
115.05447	3.7
115.07561	9.0
117.07021	19.3
117.68921	2.9
117.93410	3.1
119.08601	33.2
121.06506	10.5
121.10139	24.6
123.04424	3.5
123.08112	14.6
123.11741	6.1
125.09613	24.6
129.07019	10.6
131.08575	29.7
133.06482	6.1
133.10120	31.0
135.08029	16.7
135.11661	15.3
137.09587	23.4
141.06987	4.0
143.08572	6.9
145.06555	4.5
145.10088	17.4
145.99310	3.4
147.08034	5.2
147.11717	14.4
149.09673	23.0
149.13367	6.7
151.11217	5.7
153.09148	5.6
157.10135	7.8
159.08032	7.5
159.11708	19.8
161.09589	6.5
161.13274	6.6
163.11255	8.4
165.09132	6.1
169.10219	4.0
171.11719	8.0
173.13211	4.2
175.11205	5.3
177.12816	8.2
181.12238	10.2
184.13354	14.0
185.13284	4.0
187.11198	7.7
189.11287	3.7
193.12340	4.2
199.13260	4.2
213.14842	3.7
213.16658	3.7
223.13333	9.3
233.15517	4.5
257.19061	4.2
273.18442	7.9
275.20020	25.6
289.21600	5.0
291.19550	16.2
305.21091	6.5
307.22513	6.4
312.34244	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	666.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.01872	2.1
57.03440	1.1
61.02921	0.5
65.03951	0.6
67.05505	1.5
68.30881	0.3
69.03429	1.9
69.07071	7.8
69.07413	0.6
69.38510	2.4
70.06586	0.8
71.04990	0.3
72.08210	0.3
78.46078	0.3
79.05064	0.5
79.05498	7.1
81.03411	0.6
81.07067	0.6
83.04999	0.4
85.02908	1.4
86.09714	0.7
87.04482	0.8
91.05482	8.5
93.07018	0.5
95.04984	0.5
95.08647	0.3
96.36415	0.4
97.02911	1.2
97.06533	86.6
98.21509	0.7
98.97587	1.2
105.07027	0.7
107.04945	0.8
107.08627	0.4
109.06518	0.7
113.44997	0.3
115.03939	0.5
115.20945	0.3
119.04950	5.1
119.08589	0.4
121.93637	0.3
133.04968	0.4
133.06517	0.6
133.10181	1.0
135.04425	1.1
137.05981	60.4
138.06300	0.5
138.45576	0.4
145.05008	0.6
145.06100	0.4
147.04440	3.6
149.05975	1.4
158.99725	0.4
163.07538	1.0
164.07164	0.5
167.06981	0.4
173.05963	0.4
173.13164	0.4
177.09193	0.4
189.09119	9.1
189.10754	0.7
191.10703	0.5
191.14349	0.3
215.10724	1.3
233.11729	87.2
234.12001	0.5
250.14386	100.0
251.14700	1.2
264.15936	0.6
273.03360	0.3
286.12042	0.5
302.17542	0.9
331.94839	0.3
346.20023	0.9
403.36035	0.3
418.08792	0.5
454.72699	0.3
486.20102	1.3
612.07507	0.4
648.24451	1.5
666.26447	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	666.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.9
53.03949	4.7
55.01873	4.3
55.05508	7.0
57.03426	3.7
57.07064	1.8
57.20121	0.9
60.93152	0.8
61.02926	5.6
65.03938	1.8
67.05505	21.6
68.99774	1.2
69.03078	1.2
69.03427	15.8
69.07062	8.0
69.29177	5.7
69.29586	1.7
71.04991	3.2
73.02928	4.4
77.03911	1.0
79.05489	12.9
81.03421	14.9
81.07058	50.3
83.04981	1.8
83.08595	3.0
84.27485	0.9
85.02906	43.8
87.00307	1.1
87.00827	16.6
87.04475	0.9
91.03963	2.5
91.05476	18.0
93.06482	1.6
93.07050	33.5
93.38988	0.8
94.07333	0.9
95.04965	2.7
95.08607	61.1
95.57702	0.9
97.02888	17.6
97.06528	2.2
97.10181	1.5
98.20746	1.0
98.97570	1.4
99.04459	6.9
103.05408	1.2
105.01868	25.9
105.04527	1.4
105.06301	1.6
105.07025	45.8
107.08592	57.1
109.02876	18.4
109.06513	1.2
109.10158	45.1
111.11718	1.2
115.03927	1.2
116.75382	0.8
117.01867	1.4
117.07031	1.6
119.06128	0.9
119.08578	37.4
121.10143	20.4
123.11714	13.4
125.09610	1.2
127.03919	35.2
129.01813	1.7
131.00114	1.1
131.08533	2.5
133.10127	24.7
135.11702	12.6
137.13251	1.0
145.04941	14.9
145.10114	2.8
147.02913	2.1
147.11690	41.8
149.13217	3.6
151.11185	2.8
159.02873	8.4
159.11685	3.4
161.13266	16.1
163.14833	9.7
173.13199	1.0
175.14856	7.4
189.16383	1.0
201.16379	2.7
203.17955	100.0
204.18237	0.9
205.19542	1.1
213.04010	2.3
213.16286	1.1
215.17802	1.5
221.19031	5.3
229.15999	0.8
231.05026	10.3
249.06079	6.1
250.09592	1.7
293.05502	1.2
311.19940	1.1
331.12192	3.4
383.16168	1.7
451.22897	1.1
501.51004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76385	0.3
53.03939	0.8
55.01870	2.4
55.05513	0.4
56.96551	0.5
57.03432	1.1
61.02921	0.6
65.03955	0.6
67.05498	1.9
69.03442	1.8
69.07070	7.6
70.06584	2.1
70.53313	1.3
71.04996	0.5
72.08157	0.7
72.64646	0.3
73.02919	0.3
79.05490	7.1
81.07057	0.9
83.08636	0.4
84.04495	0.7
84.08144	0.9
85.02910	2.2
86.09716	1.3
87.04487	0.4
91.03940	0.5
91.05473	6.9
95.04954	0.4
95.08575	0.4
97.02893	1.4
97.06530	85.2
98.97560	0.9
105.07014	1.0
107.08583	0.9
109.02886	0.6
109.06521	1.0
110.07178	0.7
115.03909	0.6
117.07005	0.4
119.04942	5.2
119.08574	0.4
123.04461	0.5
127.03924	0.7
129.10248	0.8
131.08580	0.4
133.05020	0.4
133.06499	1.2
133.10121	0.6
135.04393	0.9
137.05978	60.1
138.06430	0.5
138.83147	0.4
145.04974	0.7
147.04410	3.8
149.05960	1.2
149.09766	0.3
150.05583	0.5
151.07610	0.4
158.99635	0.4
161.06017	0.7
161.09616	0.3
163.07625	0.9
167.07002	0.5
177.09052	0.7
189.09106	8.5
189.10762	0.7
191.10733	0.6
197.11757	0.8
215.10680	1.4
219.10266	0.4
233.11722	89.1
234.12056	0.8
250.14383	100.0
251.14641	1.0
267.11063	0.5
271.10892	0.4
278.30276	0.4
295.81888	0.4
308.18347	0.8
316.15704	0.4
341.09399	0.4
342.22833	0.9
418.09161	2.3
455.12152	0.8
504.21237	1.4
666.25342	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	665.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.0
55.01878	12.3
55.05265	2.8
55.05514	38.2
57.03439	14.2
57.07073	2.9
59.05015	3.7
61.02927	5.8
65.03941	6.5
67.05507	100.0
69.03431	28.7
69.07074	24.9
69.20139	14.6
69.20547	4.1
71.01354	2.6
71.04999	9.1
73.02920	5.0
74.64662	1.7
77.62965	1.6
78.23026	1.9
79.05502	42.5
81.03418	49.9
81.07060	64.7
83.04987	17.6
83.08624	12.6
85.02906	13.6
85.06526	3.4
86.09721	2.2
91.03963	4.8
91.05481	47.2
91.06017	3.4
93.07050	39.7
93.56098	1.9
95.01364	1.9
95.04967	12.5
95.08617	28.9
97.02891	15.8
97.06536	16.6
97.10168	14.1
98.20787	3.9
98.97527	2.3
98.98474	4.0
99.04449	8.1
101.02365	2.7
105.07034	37.7
107.04961	12.0
107.08601	36.1
107.78917	1.8
109.02882	15.2
109.06525	11.5
109.10163	67.0
111.04458	11.0
111.08084	6.9
112.62920	1.8
115.05459	2.3
117.07020	19.4
119.08599	34.8
121.06500	4.8
121.10149	17.8
123.04440	1.9
123.08088	11.9
123.11691	5.4
125.09662	13.3
127.03932	15.2
128.06236	3.2
129.05479	5.0
129.06999	8.6
130.07776	2.1
131.08589	25.4
133.10143	28.9
135.08060	12.2
135.11711	7.9
137.05954	4.0
137.09653	7.7
143.08585	9.3
145.10123	24.6
147.08121	3.7
147.11711	18.1
148.52226	2.2
149.05965	1.7
149.09636	16.0
149.13251	2.5
151.07524	3.8
151.11189	2.8
155.08540	4.3
155.10693	5.8
157.10135	9.2
159.08049	2.4
159.11681	16.6
161.09633	3.3
161.13289	7.1
163.11211	10.0
165.09166	3.2
167.10526	1.8
167.89119	2.1
169.10118	5.4
171.10397	2.0
171.11736	7.9
173.04514	7.6
173.09590	2.8
173.11754	17.0
173.13254	5.6
175.11156	3.9
177.05438	2.2
177.12766	3.5
179.14311	6.1
184.07352	3.7
185.09549	2.1
185.13274	2.9
187.11211	4.3
187.14775	2.7
189.11227	8.3
189.12709	2.7
191.08496	2.2
191.10683	3.0
195.11827	2.2
195.13742	2.2
197.13234	2.7
199.11186	2.2
203.10599	2.4
203.14267	2.4
205.12273	2.2
207.13783	2.0
211.11237	2.2
215.14470	2.4
221.15347	3.0
227.12691	11.4
229.14337	26.0
229.19365	3.6
234.04170	2.0
239.17992	3.7
245.13878	4.4
247.20648	3.6
257.18927	11.3
259.20642	3.0
275.20062	68.5
287.16492	2.3
287.20123	2.1
291.19302	2.1
293.21039	5.8
299.14911	4.7
299.19913	2.0
333.20148	2.6
341.21008	2.7
349.23721	28.3
355.18365	15.5
373.18591	22.9
383.22369	3.2
393.27493	2.2
405.29852	9.7
485.32568	5.5
503.33762	47.0
521.34991	3.3
587.35590	3.1
611.35931	2.8
629.36804	6.9
647.37946	30.7
665.39258	28.4
685.34613	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	663.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.4
50.21707	0.4
55.05503	0.6
57.07079	55.1
67.05516	0.5
71.04839	0.9
77.03642	0.5
77.04035	0.8
79.05511	0.6
81.07034	0.7
87.04489	1.1
91.05486	7.0
93.07056	0.5
95.04978	0.5
95.08616	0.6
105.07047	2.2
107.08607	0.8
108.98454	0.4
109.06413	0.4
117.07073	0.5
119.08598	0.9
121.10146	0.5
122.73589	0.4
131.08611	0.6
132.09378	0.9
133.10143	1.0
134.03156	0.4
147.11699	6.6
152.06274	1.0
153.06981	2.9
171.08043	0.7
175.01537	0.6
175.56383	0.4
221.42955	0.4
228.09428	0.7
229.10165	1.2
233.03636	5.4
251.04686	16.4
302.06683	0.4
307.10995	1.8
327.07806	100.0
328.08115	1.1
383.14066	66.0
384.14731	1.0
439.20352	71.4
440.20581	0.9
495.26614	63.5
496.26718	1.0
551.32880	83.2
552.33234	1.5
590.01605	0.4
607.39105	80.1
608.39655	2.2
648.42358	0.7
663.45355	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	663.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	36.4
56.96838	1.9
65.00321	0.6
67.05496	1.3
69.60158	3.9
71.95267	5.5
72.96012	2.2
74.97607	0.6
79.05457	0.9
81.07027	0.7
84.96004	1.3
91.05444	0.9
93.07037	0.8
95.04943	0.8
97.96817	1.0
98.97546	1.4
102.81284	0.6
105.00130	1.2
107.08532	0.8
107.79662	0.5
109.10140	0.7
110.97540	3.4
115.00658	1.9
119.01697	1.0
119.08572	1.0
121.10094	0.9
123.01158	1.1
123.07961	0.6
128.98538	1.9
129.02199	1.1
131.08458	0.7
133.10107	0.8
137.02722	1.8
137.09512	0.7
138.14456	0.6
139.00717	1.4
141.02216	1.2
146.99602	0.9
151.00635	1.4
153.02209	1.8
155.03745	1.6
157.01701	1.3
159.03299	0.9
167.03763	2.4
168.77821	0.6
169.01701	1.1
169.05330	0.9
171.03290	4.3
173.04852	1.3
181.05336	1.8
183.03241	1.0
183.06935	0.9
184.04147	0.7
184.48407	0.6
185.04878	7.2
187.06400	1.2
189.04289	1.6
193.05374	1.1
195.06920	2.9
197.04820	1.4
197.08572	0.8
199.04701	1.0
199.06422	13.8
201.07933	1.1
203.05884	5.1
203.07483	0.8
207.06906	1.8
211.06410	4.0
213.07983	22.7
215.09570	0.7
217.05531	0.7
217.07469	10.6
219.06891	0.9
221.08514	1.9
222.08023	1.1
223.06349	0.8
223.10072	1.6
225.08015	10.3
227.09537	3.5
229.07497	7.7
231.06961	1.1
231.09021	18.0
233.08641	0.8
235.06384	0.7
236.09590	2.0
237.07945	7.1
239.09578	8.9
241.11095	4.0
243.08961	4.8
245.10606	1.9
247.08449	2.5
249.07907	3.8
251.09537	20.4
254.10797	0.9
255.09048	28.3
257.10611	2.3
259.12222	2.5
267.09039	32.1
269.10608	87.6
270.10831	0.8
273.10107	12.1
278.10715	3.9
283.12115	0.9
285.10095	31.1
287.11655	24.9
290.10483	2.8
291.16458	0.7
292.12186	9.9
295.15854	1.4
296.11615	0.7
303.11142	1.5
308.11636	3.0
309.17386	2.2
310.13361	2.1
315.16199	1.9
323.19165	0.7
333.17389	12.8
351.14963	0.6
351.18402	46.6
369.19498	100.0
374.20047	2.7
387.20563	6.9
392.21088	16.2
393.00748	0.7
393.21396	0.7
463.23773	1.5
523.29419	3.6
549.31464	0.8
563.32544	14.1
591.92828	0.8
645.40350	2.5
663.41437	79.4
664.41895	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96515	26.4
56.96825	2.0
61.40986	0.4
67.05458	1.0
70.68010	0.5
70.68347	0.8
71.08587	0.5
71.95263	3.0
72.95987	1.4
79.05426	0.8
81.07011	0.5
81.28288	0.4
84.95973	1.7
85.02880	0.4
93.07019	0.6
95.04939	0.4
97.96809	0.6
98.97521	1.3
105.00114	1.5
105.07011	0.9
110.96954	0.4
110.97553	2.9
115.00629	1.8
119.01659	0.5
119.08579	0.5
123.01192	0.7
127.00601	1.2
127.82494	0.4
128.98637	2.2
129.02179	0.8
133.01688	1.0
137.02686	1.5
139.00639	1.2
141.02162	1.5
146.99564	0.7
147.03214	0.6
151.00578	1.1
153.01039	0.4
153.02216	2.2
155.03723	1.7
157.01688	0.7
159.03232	1.1
161.01166	0.6
165.02223	0.7
165.05962	0.5
167.03740	2.0
169.01714	1.0
169.05307	0.8
171.03294	3.4
173.04796	1.1
175.06360	0.5
179.03731	0.6
181.05286	1.7
183.03236	1.6
183.06891	0.5
185.04854	6.2
189.04376	2.8
189.07881	0.9
191.05917	0.6
193.05286	1.2
195.06903	1.5
197.04791	1.0
197.08435	0.9
199.06415	12.5
201.04251	0.4
201.07948	1.0
203.05896	4.2
205.05348	0.5
205.07327	0.4
207.06813	1.2
208.06674	0.5
209.04863	0.8
211.06422	3.9
211.09856	0.5
213.07982	8.7
215.09488	0.8
217.05426	0.7
217.07475	9.6
219.06943	0.7
221.08510	0.9
222.07997	0.6
223.06337	0.6
223.09990	0.9
225.07994	6.8
227.09554	3.7
229.07460	2.9
231.06874	1.3
231.09010	7.1
236.09560	0.5
237.07953	7.0
239.09570	4.5
240.08995	0.6
241.11081	4.4
243.09103	4.3
245.10617	2.1
247.08575	0.6
249.07898	4.4
251.05803	0.5
251.09525	11.5
252.09436	0.6
253.07602	0.7
253.11122	1.2
254.10811	0.5
255.09061	32.2
256.09546	0.6
257.10526	1.7
259.12183	2.3
262.11115	0.6
263.09723	0.4
267.09048	30.2
268.09567	1.0
269.10608	48.7
270.10925	0.8
271.08594	0.6
273.10077	12.9
278.10660	3.1
285.10098	30.7
287.11618	11.3
290.10657	2.2
291.12326	0.4
292.12149	5.5
296.11771	0.5
303.11060	2.1
305.17838	1.0
307.16119	0.5
308.11646	3.4
309.17310	1.2
310.13202	1.0
315.16223	2.2
323.18890	1.2
333.17358	25.7
334.17862	0.7
351.18417	83.2
352.18735	1.8
353.79666	0.5
369.19492	100.0
370.19775	1.5
374.20087	6.9
387.20544	3.0
392.21072	17.1
392.26218	0.9
393.21426	0.6
463.23691	1.0
534.03052	0.4
563.32471	5.6
645.40430	3.0
663.41418	50.1
664.41815	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94864	2.2
67.05508	4.1
67.42606	1.9
71.56812	2.9
79.05479	3.1
95.08646	3.2
95.73077	2.0
131.08551	2.0
145.10115	2.3
195.54671	2.0
212.03886	2.4
217.04884	2.0
294.49820	2.2
301.90823	2.1
341.57224	2.1
350.28342	1.9
350.41037	2.1
384.12122	3.2
398.13855	3.9
399.14453	10.3
400.15213	5.3
412.15482	4.0
413.15997	20.8
414.16943	67.0
414.22708	3.3
415.17154	5.6
426.16940	4.1
427.17786	16.9
428.18323	37.1
429.18802	7.3
440.18320	2.2
441.19595	12.6
442.20032	18.5
443.14529	2.2
443.20718	40.0
444.21030	2.0
455.20560	3.5
456.21567	3.1
457.15051	6.6
458.15991	21.9
468.17496	3.2
469.18912	21.1
470.19034	3.3
472.17365	6.3
473.18033	9.6
487.19778	29.2
488.20761	3.0
496.16830	5.2
509.18002	3.8
510.18298	3.1
511.18991	2.3
513.17615	13.0
525.21283	11.0
526.21576	19.5
530.25281	34.6
541.20490	2.9
556.22498	5.8
557.23993	83.1
558.24255	38.7
574.24237	100.0
575.24127	3.4
589.26587	4.5
602.23346	14.0
615.24762	5.0
617.26025	9.4
629.22137	2.5
633.25482	4.8
643.24066	36.7
661.24768	24.6
661.42499	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	661.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
55.05493	2.2
56.96545	1.5
57.03410	0.9
61.02932	5.0
65.03911	0.9
67.05511	4.8
67.61815	0.7
69.03413	1.4
69.07046	2.3
70.06562	1.0
71.57188	1.0
73.02890	1.9
79.05468	3.3
81.03398	2.6
81.07066	3.8
83.04948	0.9
83.08595	1.1
84.08137	0.7
85.02897	4.9
85.06535	1.0
90.68977	0.6
91.03941	3.2
91.05466	3.2
93.07023	3.3
95.04942	1.6
95.08595	2.7
97.02888	3.5
97.06522	1.7
97.10156	1.1
98.97607	1.1
105.07020	1.8
107.08585	1.8
109.10168	3.5
117.06995	1.0
119.08534	2.2
121.10144	0.8
127.03846	1.1
131.00172	0.9
131.08586	1.4
135.11656	1.0
137.05945	1.7
145.10127	1.3
149.01201	1.3
153.01799	2.9
157.10034	0.9
159.07954	0.8
164.29179	0.7
172.79124	0.8
173.11772	1.1
184.07385	1.8
223.72510	0.7
229.14323	1.1
258.04886	1.0
287.05289	0.9
288.15491	0.8
365.15475	0.8
373.19382	0.8
401.16721	1.8
415.13879	1.1
416.18506	2.2
417.16617	2.3
429.15680	6.9
430.16644	2.8
431.17236	4.5
441.15875	1.4
442.16650	1.6
443.17929	4.2
444.18100	10.5
445.19501	3.5
454.16498	3.7
455.17081	3.0
456.18118	4.5
457.14496	19.2
459.16501	1.2
461.15970	0.8
467.16617	1.1
468.17813	1.1
469.18887	4.0
470.19263	0.9
471.16809	6.3
471.21622	1.5
472.17502	28.7
473.18207	3.9
478.10052	0.8
482.16122	2.5
483.16412	0.8
485.18353	1.8
497.18076	6.7
498.18582	1.5
499.19223	2.1
500.16946	3.7
501.17599	1.8
515.19580	4.5
516.20087	2.1
517.21112	0.9
530.21814	1.8
531.22455	11.4
532.20282	0.9
556.19666	5.7
559.21948	74.6
560.22626	2.6
587.21179	6.4
611.24664	1.2
619.24011	100.0
620.24329	3.2
629.22388	5.0
643.25488	1.6
661.25049	97.1
662.25287	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	659.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86142	0.2
56.96516	16.5
56.96825	1.2
62.27206	0.2
67.05443	0.6
68.18408	0.2
69.07014	0.3
70.98069	0.7
71.56895	0.3
71.57304	0.3
71.95264	2.7
72.96052	1.2
74.76754	0.2
74.97557	0.5
75.43950	0.2
79.05453	0.4
81.07025	0.5
83.08566	0.2
84.96033	1.7
86.97546	0.3
91.05447	0.5
93.07012	0.5
95.08587	0.4
97.96795	2.0
98.97533	1.0
103.64845	0.2
105.00134	0.5
107.08562	0.3
110.97570	6.5
112.99055	0.4
115.97861	1.1
116.98539	0.3
119.08503	0.3
123.01122	0.7
124.99077	0.5
127.00677	0.4
128.98608	6.0
131.00192	0.3
131.08536	0.2
137.02747	1.1
141.02176	0.5
143.00177	1.1
145.10138	0.3
146.98682	0.2
146.99680	2.6
147.68639	0.2
151.00574	0.3
151.04204	0.3
152.00208	0.7
153.02145	0.7
155.03728	0.3
161.01213	1.1
165.05739	0.3
169.01711	0.4
169.05292	0.3
170.01064	0.3
171.03293	1.9
173.04829	0.3
175.02766	0.5
179.02293	0.3
183.03261	0.5
183.06902	0.3
185.04901	1.3
189.04327	0.9
190.05112	0.3
193.08958	0.3
197.04852	0.5
197.08505	0.3
199.06326	0.4
203.05850	0.7
205.07396	0.6
208.04044	0.2
209.04930	0.3
213.08002	0.3
217.07428	0.4
219.08952	0.5
221.04877	0.4
223.08363	0.4
225.07997	0.4
227.09578	0.3
237.08029	0.3
239.09543	0.6
249.07980	1.1
251.09512	0.9
259.10059	0.3
263.09534	1.6
264.10297	0.3
265.11197	1.3
267.09064	0.9
269.10538	1.2
275.20001	0.5
277.11142	2.2
278.11819	0.4
279.12802	0.4
281.10657	0.7
283.12225	1.8
285.10049	0.6
291.12646	1.2
292.13495	0.4
294.11273	0.3
295.12183	0.4
299.11673	0.9
305.14224	0.3
315.16437	1.3
317.17871	40.4
318.18375	0.4
331.15848	0.3
333.17389	2.8
335.18930	100.0
336.19318	1.0
337.19934	0.5
349.17023	0.4
353.20004	20.4
354.20282	0.3
358.20535	15.0
359.21094	0.4
363.18448	1.0
371.21268	1.2
376.21609	2.8
381.19427	0.4
399.23251	0.5
443.25064	0.3
529.15936	0.5
529.32037	0.9
541.07550	0.2
543.33575	5.2
547.33295	0.4
559.33038	1.7
561.34741	3.8
577.34082	0.8
605.21533	0.2
623.40924	0.5
641.40912	10.8
642.40759	0.3
659.22845	1.2
659.41956	30.4
660.42340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.1
56.96566	19.6
58.70350	0.7
59.23140	0.8
62.73302	0.8
66.80135	0.8
67.05511	2.6
69.07075	2.1
69.81726	3.0
70.07403	0.7
70.88308	0.8
71.95262	2.5
72.96057	0.8
75.18488	0.8
76.26974	0.8
79.05486	1.7
81.07053	2.4
83.08613	1.1
85.02909	1.4
91.05495	2.0
93.07039	1.5
95.08607	2.2
98.97540	1.1
105.00173	2.2
105.07012	2.3
107.08627	1.9
109.06534	1.1
110.97608	2.5
119.08542	1.5
128.98631	2.8
131.08534	1.3
133.10164	1.7
143.00195	0.8
145.10068	1.1
157.01703	1.1
171.03410	1.0
171.11572	1.0
179.70073	0.9
184.07280	1.0
185.04892	2.8
189.08018	3.1
197.04968	1.0
199.06432	1.7
201.04501	0.9
203.05904	1.9
211.06508	1.5
213.07938	1.0
217.07430	1.7
223.06415	0.9
225.07912	1.8
231.09151	1.1
235.09915	0.9
237.07976	3.5
239.09572	3.0
242.07634	0.9
243.09064	1.9
251.09570	2.2
253.11028	2.1
255.08980	1.3
269.10425	1.4
275.20129	1.8
281.10632	1.0
310.93997	0.8
315.16391	2.4
333.17343	46.6
334.17755	2.6
335.17514	1.0
337.16580	1.9
349.17087	1.4
351.18430	100.0
352.18906	3.9
353.18939	1.7
355.17758	3.9
365.20099	1.6
369.19476	19.9
370.19745	1.6
374.20032	21.7
375.20422	1.8
383.20935	1.2
392.20956	2.2
462.36322	0.9
519.29865	1.4
559.33459	1.4
632.17249	0.9
639.68469	0.9
641.22357	2.9
641.40845	15.0
659.22577	2.7
659.41614	27.5
660.41022	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22614	0.6
55.05486	1.5
56.96565	23.7
57.03406	1.0
61.02900	1.5
62.81646	0.5
67.05506	4.1
69.03404	1.5
69.07034	2.3
71.26282	1.4
71.95261	3.4
74.97588	1.2
79.05490	3.8
81.03401	1.3
81.07067	4.9
83.04944	1.3
83.08588	1.2
84.96027	1.5
85.02876	1.9
91.03928	1.1
91.05470	3.7
93.07034	3.4
95.04950	1.1
95.08609	3.3
97.02852	1.8
97.03555	0.5
97.06515	1.1
97.10124	0.7
97.96808	4.8
98.97549	2.4
105.07049	3.4
107.04945	1.0
107.08552	2.6
109.06500	1.3
109.10131	1.4
110.97556	4.2
112.99065	0.6
115.97808	1.8
116.98599	1.1
117.06992	1.2
119.08592	1.2
121.06483	0.9
121.10158	1.5
126.24696	0.6
128.97826	0.6
128.98621	6.5
131.00194	0.7
131.08525	1.8
133.10072	1.8
135.08012	0.7
135.11646	1.5
137.02666	1.1
139.00693	0.9
141.02246	0.7
141.99376	1.1
143.00134	1.8
145.10072	1.8
146.99594	2.2
147.11690	0.8
148.00375	0.8
149.09589	0.8
151.00664	0.7
153.02090	0.8
155.00114	1.2
155.03755	1.0
159.11748	0.8
160.00423	1.5
161.01083	0.6
167.00166	0.9
167.03787	1.3
167.97272	0.9
169.01665	0.8
171.03250	2.6
173.01297	0.7
173.04811	0.6
175.02705	1.1
181.01674	0.9
181.05287	1.0
184.04082	0.8
184.07301	1.3
185.01170	1.0
185.04935	4.0
185.06406	1.2
187.02751	1.3
189.04301	2.6
195.06912	1.2
197.04849	1.6
198.05608	1.3
199.02756	2.8
199.06454	5.2
201.04289	1.8
203.05927	3.8
205.07430	2.5
209.04831	0.8
211.06371	1.1
213.04358	1.2
213.07993	5.5
215.06032	1.0
216.03091	1.0
217.03757	0.9
217.07439	4.2
219.02910	0.7
219.07034	0.8
223.02783	1.1
223.06432	1.1
223.08275	0.6
223.10077	4.7
224.07307	0.8
225.07967	3.1
227.05861	2.8
227.09436	1.5
229.07478	1.1
231.06982	0.8
231.08992	2.8
237.04333	2.3
237.08006	1.3
238.04788	0.8
239.05843	1.0
239.09567	7.9
241.11110	50.6
242.08234	5.0
242.10666	0.9
242.11053	0.7
243.09036	1.2
243.14359	1.2
244.09764	1.0
247.08485	1.1
249.07965	0.9
251.05801	1.3
251.09511	2.8
253.11108	3.5
255.05322	1.3
255.09119	3.1
255.11255	0.7
257.10666	3.6
259.12189	41.1
260.09293	1.9
260.12326	1.0
262.10938	0.8
264.12692	6.1
267.09039	4.8
269.07507	1.1
269.10565	8.2
271.12247	0.7
275.20081	2.2
277.21512	0.8
279.09012	3.6
280.09753	4.0
282.13718	2.8
285.10080	2.1
287.11490	1.5
289.14816	1.1
293.21234	0.8
297.10080	7.2
298.10934	5.8
307.15817	2.5
308.20129	0.7
312.08578	1.1
316.11914	3.8
317.19446	0.7
320.11508	1.1
325.16742	1.5
329.14145	2.4
330.17471	0.8
331.15768	17.7
333.18839	1.1
333.24191	0.7
336.02518	0.7
347.15271	6.1
348.15622	1.7
349.16849	98.2
350.17172	1.5
351.20300	5.5
365.16376	7.0
366.16794	2.0
367.17923	100.0
368.18359	2.3
369.19342	2.0
370.16769	0.8
372.18362	5.2
374.21509	1.0
385.19083	4.2
388.17734	1.4
390.19528	27.0
561.37494	1.0
641.37256	1.9
659.38232	72.6
660.38550	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25819	0.6
56.96565	35.9
56.96828	1.9
58.70730	0.6
60.18043	0.6
69.42992	2.4
69.43419	2.6
71.95257	4.3
72.96001	2.0
76.16990	0.7
81.07021	0.9
82.71495	0.5
84.95975	1.0
97.96790	1.2
98.97533	1.5
105.00117	1.5
110.97567	5.3
115.00645	1.8
116.98548	0.7
119.01657	1.3
119.08515	0.8
123.01189	0.8
127.00639	1.1
128.98584	3.8
131.00125	0.8
137.02679	2.4
139.00609	1.9
141.02223	1.4
146.99603	0.9
151.00613	2.0
153.02287	3.3
155.03729	1.9
157.01718	0.9
159.03394	0.7
162.94418	0.7
164.67912	0.7
165.02254	1.1
167.03770	2.9
169.01675	2.0
169.05328	1.2
171.03281	6.3
173.04845	1.4
175.12788	0.6
178.66660	0.6
179.03755	0.8
181.05348	2.9
184.07320	0.7
185.04836	7.9
187.06337	0.8
189.04257	3.6
193.05312	1.7
194.04852	0.7
195.06931	4.0
197.04765	1.5
199.06422	15.3
201.04338	0.8
201.06003	0.8
203.05913	5.8
205.07394	1.4
207.03183	1.1
207.06920	2.0
209.04886	0.8
209.08464	0.9
211.06436	3.5
213.06067	0.8
213.07964	14.5
214.83527	0.7
217.05499	0.9
217.07419	7.6
219.06900	0.9
221.08525	1.7
222.08015	0.9
223.06383	1.1
223.10104	1.0
225.07976	8.0
227.09592	3.9
229.07492	2.8
231.06898	3.4
231.09027	7.5
233.04683	0.8
233.08540	1.0
234.41472	0.8
237.04332	0.9
237.07954	6.3
239.09546	6.4
241.11122	3.1
243.09100	4.3
245.10681	2.0
249.07970	7.4
251.09543	14.3
253.07407	0.7
253.11107	1.6
255.09042	30.1
257.10620	2.5
259.12210	1.8
262.08798	1.0
263.09445	1.0
267.09036	47.8
269.10608	67.4
273.10043	11.8
278.10614	2.9
279.09113	1.7
280.09799	1.7
285.10095	42.0
287.11642	15.1
290.10583	2.8
291.12619	2.1
292.12216	5.5
293.14307	0.7
295.12198	1.0
298.10919	1.1
303.11148	2.5
308.11639	3.5
309.13745	2.5
310.13416	1.0
313.14969	0.9
331.15811	14.8
349.16852	55.0
350.17154	0.9
367.17914	100.0
368.18329	1.9
372.18228	2.2
385.18826	5.3
390.19498	11.7
463.23819	1.4
486.32062	0.8
561.30994	9.4
577.30243	0.8
641.37347	1.7
659.38293	56.9
660.38812	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	659.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05912	0.5
56.96566	33.1
56.96840	1.6
69.97778	0.5
70.13118	0.5
70.28587	1.0
70.28984	1.2
71.95263	3.9
72.95996	1.6
74.97604	0.7
81.00201	0.4
84.96008	0.7
85.16869	0.5
94.68579	0.5
97.96786	1.3
98.21346	0.5
98.97548	1.5
105.00113	1.2
110.97543	4.1
115.00674	1.5
116.98509	0.5
117.97163	0.4
119.01683	1.6
122.64694	0.4
123.01198	1.2
123.27047	0.5
127.00632	1.1
128.98611	2.5
129.02242	0.9
134.99609	0.5
137.02727	1.8
139.00621	2.2
141.02188	1.5
143.03784	0.5
145.01723	0.9
146.99660	0.5
151.00667	1.6
153.02254	3.6
155.03746	2.0
157.01613	0.7
159.03247	1.5
167.03812	3.2
169.01752	1.2
169.05443	0.7
171.03294	5.8
173.04866	1.1
177.05809	0.5
179.03699	0.6
181.05376	2.2
183.03278	1.1
185.04849	8.3
187.02736	0.9
187.06390	1.0
189.04362	2.8
189.05788	0.6
191.05841	0.6
193.05315	1.6
195.06946	4.5
197.04858	1.4
197.08313	0.7
199.06416	10.8
201.04262	0.6
201.08009	0.6
203.05841	4.4
203.07487	0.7
205.01830	0.7
207.07076	2.4
209.04837	1.0
209.08482	0.9
211.06389	3.1
213.07983	23.8
217.05457	0.6
217.07458	6.9
219.03152	0.7
219.06879	0.8
221.08499	2.0
222.07953	0.9
223.02827	0.6
223.10146	0.9
225.07957	8.9
225.11562	0.6
227.09529	3.5
229.07416	1.6
231.06889	2.2
231.09027	15.6
233.08530	0.9
236.09567	1.8
237.04472	0.7
237.07967	5.9
239.09564	7.3
241.11055	2.1
243.09013	3.4
245.10562	2.5
249.07996	6.0
251.09537	23.5
254.10472	0.7
255.09044	26.5
257.10571	3.1
259.11948	0.6
261.08142	0.9
262.08737	1.0
263.09467	0.6
267.09042	36.9
269.10602	100.0
270.10989	1.4
273.10086	9.3
278.10678	2.1
279.09128	1.1
280.09772	1.3
285.10083	35.2
286.10632	0.9
287.11652	24.3
290.10669	2.1
292.12225	8.6
303.11115	2.2
307.15887	0.6
308.11707	2.7
310.13226	1.0
331.15796	10.6
349.16852	33.8
367.17929	85.8
368.18280	1.6
372.18430	1.3
385.18930	6.9
390.19476	10.5
396.81857	0.5
461.21429	0.5
463.23660	4.5
479.22775	0.9
547.29700	1.0
561.31061	14.7
577.30396	1.2
641.37292	1.8
659.38287	62.2
660.38770	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	659.2348
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
55.05499	1.9
57.07075	0.8
61.02922	3.0
67.05499	3.8
69.03423	0.9
69.07054	2.0
70.06594	1.0
70.91258	0.6
71.04976	0.7
71.56277	0.7
79.05505	3.6
81.03421	1.2
81.07047	4.2
83.08611	1.1
85.02904	2.9
85.24037	0.7
91.03957	1.4
91.05480	2.5
93.07040	3.1
95.04970	1.2
95.08630	2.9
97.02905	2.0
97.06524	0.6
97.10164	0.6
105.07040	2.2
107.08601	1.9
109.10169	2.0
111.08128	0.7
111.94934	0.7
117.07011	0.8
119.08585	2.1
121.10176	1.7
127.03938	1.4
129.07025	0.8
131.08598	1.2
133.10126	1.4
135.08049	0.9
135.11737	0.8
145.10127	1.4
147.11696	0.8
149.02368	1.9
149.09627	0.8
157.10097	0.7
168.79199	0.6
184.07344	1.3
256.26337	0.9
275.19925	1.3
295.12878	0.8
313.14053	1.0
333.17181	0.9
334.17734	1.0
335.26056	1.5
349.23837	1.4
351.18689	0.7
353.22031	0.8
411.14832	1.0
426.13205	1.2
427.13562	1.1
440.14822	1.0
441.15671	2.0
453.15915	2.0
455.13184	1.6
468.14569	1.4
469.14859	3.3
471.16675	2.6
482.15338	1.0
483.13217	2.4
484.17886	0.9
485.17856	0.8
495.16611	2.2
496.13626	1.3
497.15170	3.0
511.16275	2.2
512.16956	5.7
513.17743	12.0
525.17664	14.6
526.18732	1.5
530.18494	0.9
539.18939	1.1
540.16736	0.9
543.18756	1.4
553.17969	0.9
557.20227	2.8
567.18597	1.8
570.18011	0.9
571.21008	0.9
585.20142	0.9
599.21423	11.7
617.22870	3.3
627.20746	9.9
640.23645	1.2
659.23499	100.0
660.24072	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.235
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
56.51736	0.4
56.96552	1.1
64.81126	0.3
67.73628	0.4
69.07073	0.6
81.07048	0.7
92.17548	0.3
95.08600	0.4
107.08627	0.5
113.69533	0.4
117.64986	0.4
136.48116	0.4
143.08595	0.4
152.51924	0.4
237.07750	0.4
250.24872	0.4
333.17343	2.6
351.18350	5.4
355.17731	0.5
359.33713	0.4
369.19675	1.4
374.20184	0.8
385.13284	1.1
386.13849	0.9
396.13446	0.6
399.14359	1.8
400.15381	4.9
408.12363	0.8
409.12918	0.8
410.14798	1.2
411.15036	0.7
412.15839	0.6
413.16019	1.8
414.17166	2.8
421.12976	1.9
422.13800	5.2
423.14664	5.0
424.15607	1.5
425.16486	1.0
427.18060	0.8
428.18762	0.7
429.19598	2.5
431.13348	0.4
435.14526	3.1
436.15466	5.5
437.16251	10.5
438.17581	2.4
439.17993	0.8
441.15735	1.5
441.20468	0.6
443.15964	0.5
449.16211	1.6
450.17578	4.2
451.18335	6.2
452.19324	2.6
453.16028	1.3
455.12216	0.5
455.17841	1.2
456.17773	0.9
457.16547	0.6
463.13849	2.1
464.14496	4.1
465.15445	3.6
465.20068	2.3
466.16113	1.2
466.21204	0.7
467.17462	3.2
468.18832	0.5
469.14465	2.3
470.15875	1.1
477.15771	0.9
478.16321	3.1
479.17520	4.1
480.18088	4.5
481.14685	1.1
481.19754	0.9
482.16003	1.3
483.16599	3.5
484.17334	2.4
493.19098	8.9
494.14911	3.4
495.16275	5.3
496.17975	2.0
497.13840	0.4
498.15274	2.4
506.15948	1.5
507.16791	2.5
508.17496	6.5
509.18420	4.4
510.19467	1.1
511.20660	2.2
512.16766	6.1
513.17749	0.9
515.19318	0.7
516.23895	0.9
521.18268	11.7
522.15765	4.0
523.19427	1.2
524.17297	1.2
525.18549	1.2
525.21161	1.4
526.15149	1.5
531.16742	0.5
537.18372	0.8
538.18292	0.9
539.19159	2.5
540.20386	0.8
543.22516	2.2
549.17627	1.0
550.18591	0.5
553.20831	16.7
554.21448	0.7
566.17700	0.5
571.22015	1.9
572.22076	1.6
581.20361	49.1
582.20618	1.6
599.21271	11.4
600.21674	1.4
609.19507	0.9
613.23016	16.3
622.23096	3.4
627.20532	1.1
631.23871	3.4
641.22467	100.0
642.22528	3.0
659.23474	28.9
659.41370	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29723	0.4
50.46107	0.6
55.01854	0.9
55.05518	2.7
56.96548	0.7
57.03418	0.9
60.14977	0.4
61.02911	1.3
67.05505	5.5
69.03415	1.3
69.07047	1.5
69.41870	3.8
71.04977	0.6
79.05491	2.9
81.03427	2.7
81.07066	5.7
83.04980	0.6
83.08622	0.6
84.08106	0.4
85.02892	2.6
91.03947	0.8
91.05477	2.6
93.07028	1.9
95.04971	0.7
95.08593	2.0
97.02877	1.0
97.06541	2.5
97.10155	0.6
98.21513	0.9
98.97608	0.5
105.07011	2.1
107.04951	0.6
107.08567	1.6
109.10120	1.9
116.98621	0.6
117.06986	0.7
119.08534	1.1
121.10126	0.7
125.02364	0.7
127.03918	1.1
129.06952	0.7
131.00159	0.5
131.04895	0.5
131.08585	1.1
133.10097	0.7
135.04430	0.5
137.05975	0.9
139.03857	1.2
141.01772	0.5
145.04895	0.8
145.13310	0.5
147.04422	1.4
149.09610	0.7
151.07520	1.1
153.01833	28.4
153.07132	0.5
165.06950	0.7
169.01353	0.7
169.06517	0.7
171.04454	0.8
185.05980	1.7
187.03850	0.8
188.35620	0.5
191.10704	0.7
197.06006	2.4
199.07639	1.3
204.06596	1.1
211.03915	0.5
211.07567	1.4
213.09016	0.5
215.36386	0.5
223.07663	0.6
224.08202	0.5
235.82741	0.5
237.05399	0.9
239.07036	1.3
243.11272	1.8
249.05330	0.5
253.04900	0.9
257.04327	1.0
258.05237	2.3
265.04965	2.7
266.05658	0.7
267.06607	1.4
271.06067	1.7
275.06964	1.2
279.06546	1.6
281.04517	2.4
281.07568	0.5
282.05136	1.2
283.06039	0.7
285.12405	1.6
286.04675	2.9
287.05368	1.2
291.06497	0.7
293.04794	1.0
293.08038	0.9
294.05310	1.1
295.06021	7.0
297.03992	3.5
297.06860	0.7
298.04919	1.0
299.05423	2.2
303.06534	8.4
303.13382	2.4
307.05966	1.6
309.04034	0.8
309.07474	1.0
310.04587	0.9
311.05521	7.8
313.03384	0.5
317.07907	0.6
321.03873	2.3
321.07620	3.0
323.05496	26.3
324.06247	3.2
325.06912	1.4
327.05011	1.3
331.06021	10.2
332.06668	1.5
334.04800	1.2
335.05420	2.8
337.07034	4.6
349.07022	11.1
350.07849	13.3
351.08698	2.1
363.08411	2.6
413.17984	0.6
433.16467	28.7
434.16745	0.6
435.14566	2.6
443.14664	0.6
451.17676	1.8
453.15402	0.9
461.15982	100.0
462.16455	2.0
479.17032	84.6
480.17056	1.1
480.80893	0.5
497.18076	75.0
498.18188	1.1
598.76154	0.5
641.22754	1.0
659.22589	3.4
659.33948	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	657.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.5
54.10604	1.7
55.01871	8.2
55.05512	19.9
55.05758	2.6
57.03442	30.4
57.07074	2.2
61.02930	98.7
65.03928	1.5
66.95910	1.3
67.05511	41.6
69.03094	2.4
69.03436	39.1
69.07069	12.8
70.67088	4.1
70.67426	2.0
71.01343	5.6
71.04976	6.4
72.23118	1.6
73.02920	43.4
79.05500	47.0
81.02983	2.7
81.03422	31.4
81.07062	35.4
81.18352	1.4
83.04971	8.8
83.08611	6.8
85.02909	100.0
85.06516	3.1
87.04469	3.2
91.03960	61.5
91.05483	52.5
92.61610	1.8
93.06479	2.8
93.07047	50.3
95.04979	10.5
95.08612	31.4
97.02897	78.1
97.06507	4.5
97.10189	2.9
99.04446	12.9
99.08067	1.9
99.14270	1.6
101.02389	9.8
103.03942	10.5
103.05441	3.0
105.04513	1.8
105.07037	50.8
107.04951	6.0
107.08594	30.8
109.02884	11.0
109.06515	5.3
109.10164	15.1
111.04432	4.5
111.08152	1.9
113.06034	1.6
115.03916	8.0
115.05445	2.9
117.05517	2.1
117.07020	23.7
119.04911	1.9
119.08585	40.3
121.06517	4.0
121.10162	22.4
123.08031	3.9
123.11712	2.7
125.09631	2.6
127.03926	29.2
128.06224	5.5
129.05527	8.0
129.07021	17.0
130.07758	2.5
131.04887	2.9
131.08572	30.7
133.06468	4.3
133.10141	32.9
135.08051	4.4
135.11696	18.2
137.05980	2.8
137.09613	2.7
139.07559	1.8
139.11223	2.0
141.06985	4.2
142.07794	3.8
143.07219	1.4
143.07399	1.8
143.08557	17.5
145.04955	16.6
145.06439	3.5
145.10130	27.8
147.08063	5.8
147.11699	20.6
149.05971	1.7
149.09557	4.2
149.13271	10.8
151.11127	2.6
155.08577	11.1
157.06502	2.5
157.10114	14.6
159.08041	6.6
159.11717	20.9
161.09683	2.0
161.13246	17.2
163.06004	5.2
163.11176	3.3
163.14804	2.7
165.07037	1.9
165.28484	1.5
166.07722	1.6
167.08606	4.1
169.06444	2.1
169.08846	1.6
169.10078	8.8
171.06557	2.4
171.08017	4.4
171.11681	17.2
173.09677	3.3
173.13324	11.9
175.11267	3.8
175.14806	5.7
177.12781	4.0
179.08603	2.8
181.10101	4.8
183.06564	4.7
183.08087	3.3
183.11671	9.0
184.07343	1.8
185.08005	1.8
185.09644	4.0
185.13295	13.9
187.09630	1.6
187.11198	5.8
187.14809	5.3
189.12695	2.3
193.10161	1.8
195.11708	7.1
197.09608	2.7
197.13310	5.2
199.11209	4.3
199.14890	8.4
201.07568	3.9
201.12706	3.2
201.16371	2.5
207.11781	2.5
209.09583	2.3
209.13264	5.5
211.11099	3.0
211.14734	3.1
213.12852	2.3
213.16461	2.8
221.13367	2.0
221.15346	1.9
223.14815	3.4
225.12823	2.2
227.14328	2.6
231.21159	2.5
237.12823	1.9
241.19505	13.4
255.17334	1.7
255.21004	2.0
257.18948	6.0
259.20593	27.4
269.19086	1.6
271.20554	4.8
273.22116	2.0
275.20050	3.1
277.21628	5.7
283.20544	6.1
285.18588	1.4
285.22064	2.2
289.21735	2.5
295.20441	4.2
297.21875	2.3
299.20001	1.8
301.18472	1.8
301.21539	10.4
307.20560	1.8
313.21570	5.1
315.23132	3.9
321.21906	2.6
325.21518	6.5
331.22791	1.7
333.24231	43.2
337.21515	2.0
339.23282	4.7
343.22791	3.6
345.24039	2.9
349.21616	7.1
351.25055	2.6
357.24103	4.5
357.65952	2.2
361.24142	2.9
363.25278	5.2
367.22797	13.9
369.34720	1.6
375.25348	14.8
385.23743	8.5
387.25159	4.4
391.24554	2.4
399.25269	3.1
403.24789	4.5
405.26355	2.4
417.26492	10.8
423.25311	2.5
429.26376	8.6
441.26349	27.0
459.27527	21.6
477.28464	20.8
495.29715	21.5
585.30579	1.8
603.31677	7.6
639.33527	4.6
657.34686	23.5
683.96973	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	1.4
53.03937	4.9
55.01881	6.8
55.05512	15.2
57.03437	25.1
57.07069	2.6
61.02927	96.2
64.26314	1.1
65.03939	2.5
65.65881	1.1
65.83112	1.0
67.05507	30.9
69.03427	35.3
69.07072	10.9
69.67591	6.5
70.69384	1.0
71.01348	5.2
71.04998	6.6
73.02501	1.7
73.02914	32.3
75.04452	1.1
77.03909	1.3
79.05495	39.9
81.03416	24.4
81.07058	33.0
83.01339	2.1
83.04966	4.1
83.08611	3.9
85.02905	100.0
85.06523	3.5
87.04474	4.0
91.03956	59.2
91.05480	46.4
93.07046	41.9
95.04985	8.6
95.08608	24.8
97.02895	80.7
97.06531	4.4
97.10166	2.5
98.20762	1.8
99.04445	14.3
101.02378	12.4
103.03944	8.1
103.05473	1.8
105.07027	42.3
107.04979	4.3
107.08600	24.1
109.02874	10.0
109.06517	3.5
109.10162	10.5
111.04442	3.9
111.08061	3.4
115.03941	6.1
115.05426	2.3
117.05534	2.7
117.07017	19.5
119.08588	32.8
121.06473	4.2
121.10135	21.3
123.08014	1.9
123.11696	1.8
127.03914	32.6
128.06223	3.4
129.05487	5.7
129.07011	12.4
130.07751	2.0
131.08574	21.6
133.06467	1.9
133.10132	31.2
135.08034	3.7
135.11700	16.8
137.09546	1.3
141.07010	4.1
142.07764	3.0
143.08571	12.4
145.04959	22.6
145.06270	1.7
145.06458	2.2
145.10124	20.4
147.08034	3.1
147.11688	20.9
149.09717	2.6
149.13243	9.2
151.07487	1.2
151.11221	1.2
153.09073	1.4
155.08568	5.7
157.06445	1.5
157.10109	12.2
159.08078	2.9
159.11690	19.7
161.09647	2.9
161.13252	14.6
163.06030	7.6
163.11241	2.8
163.14832	2.7
165.07008	1.5
165.09134	1.2
165.12793	1.1
166.07732	1.1
167.08597	3.3
168.09431	1.6
169.10086	7.3
170.10934	1.6
171.06499	2.0
171.11670	11.3
173.09642	2.9
173.13252	11.2
175.11162	2.2
175.14809	6.4
178.07764	1.6
181.10117	3.0
183.06528	5.0
183.11673	6.9
185.09630	2.2
185.13219	10.8
187.07503	1.0
187.11263	3.1
187.14847	2.6
189.12779	2.7
191.14291	1.5
193.10162	3.0
195.07974	1.6
195.11729	4.7
197.09663	1.8
197.11649	1.2
197.13271	2.6
199.11201	2.2
199.14871	5.8
201.07616	4.0
201.12782	3.2
203.14342	1.6
209.13264	4.2
211.14819	3.1
213.12794	1.6
213.16296	2.9
215.14383	1.7
217.15894	2.4
221.13286	1.6
223.11249	2.3
223.14931	2.3
225.12881	1.4
231.17456	2.4
231.21239	2.5
241.19482	12.0
243.13889	1.9
247.13263	1.2
253.19470	1.9
257.19064	2.3
259.20563	26.9
269.19083	1.9
271.20547	4.5
273.18588	1.3
273.22244	3.3
275.19894	2.6
277.21674	3.8
283.20569	3.8
285.22150	1.6
285.44580	1.1
289.21808	1.7
295.20544	1.2
297.22299	2.2
299.19962	1.8
301.21667	11.1
307.20615	1.8
309.16437	1.2
313.21567	4.2
315.23346	3.6
319.22772	2.2
325.21561	4.6
327.77573	1.3
333.20392	2.5
333.24258	43.8
335.95190	1.4
339.23138	3.8
343.22726	3.3
345.24210	2.3
349.21005	5.8
351.25308	3.1
357.24341	1.5
361.23773	3.0
363.25275	2.5
367.22540	11.0
373.23398	1.5
375.25391	10.6
385.23471	5.5
387.25238	3.3
399.25278	1.5
403.24582	5.4
405.26154	1.7
417.26273	3.5
423.25171	2.2
429.26416	2.2
431.28110	1.4
441.26331	18.8
459.27423	18.1
477.28461	17.8
495.29498	12.6
537.31372	1.3
603.31262	1.9
621.32654	2.0
639.33801	1.5
657.35156	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	657.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90437	1.1
55.01860	1.1
55.05503	2.7
57.07062	1.2
57.78782	1.3
60.45672	1.1
61.57835	1.1
62.55542	1.0
67.05505	4.7
68.92304	1.1
69.07055	1.4
71.57528	1.6
72.16307	1.3
77.78457	1.3
79.05490	2.5
81.07053	4.6
91.05478	3.6
93.07017	2.2
95.08588	2.2
105.07002	1.5
109.10170	2.0
113.86949	1.2
119.08593	2.1
121.10123	1.7
124.07604	3.1
131.08574	1.3
133.10106	1.5
136.48735	1.1
137.33803	1.1
138.09215	1.7
145.10118	1.7
160.65923	1.2
162.65833	1.2
198.11264	3.9
210.11581	1.8
225.10277	3.1
225.13908	3.1
237.10298	3.0
238.10762	1.7
239.11801	4.9
240.12550	1.6
241.13364	1.4
249.10515	1.3
253.13345	18.8
263.15375	1.3
264.12372	1.4
265.09735	4.2
291.19623	1.3
293.09042	2.7
315.13623	1.6
333.20395	1.9
347.21909	2.9
354.12326	1.4
356.14160	1.7
379.82941	1.4
382.11893	2.1
400.16440	7.8
432.16513	2.0
433.16870	2.9
448.15366	1.3
459.14584	1.5
460.18860	6.0
461.15991	3.9
472.16370	1.6
474.17160	1.3
475.17850	2.8
489.19180	1.7
491.20767	3.3
503.17010	1.9
505.22580	8.0
517.18872	3.3
533.21924	2.2
537.25165	1.7
541.23407	2.9
545.17157	2.1
545.38239	5.2
547.16052	1.9
547.22992	2.6
549.21429	3.3
553.24329	5.6
563.18671	5.8
575.22632	3.8
577.20850	12.5
592.23413	1.9
593.23572	2.5
597.27759	2.7
607.25543	100.0
608.25977	2.7
608.34930	1.4
625.26526	8.3
639.28174	1.8
657.29047	52.2
657.42914	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	657.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49183	0.7
58.36544	0.8
71.33075	0.9
75.26903	0.7
95.99004	0.8
104.52438	0.7
110.50542	0.8
121.57995	0.7
122.70275	0.9
131.08565	0.9
146.09665	1.0
174.74811	0.8
185.10701	0.9
187.08780	1.0
209.10780	1.2
211.12373	0.8
220.89575	0.8
221.10764	1.7
233.10776	1.0
237.14003	0.9
246.11464	1.3
247.12210	1.7
248.13106	0.7
249.13960	1.9
261.13989	1.7
263.15344	1.3
273.13702	1.1
274.14011	0.8
275.15271	1.0
285.45483	0.7
288.15720	1.4
302.16528	0.8
304.14600	1.5
313.04190	0.9
314.13336	0.9
314.16742	0.8
318.16119	1.9
326.16608	0.9
338.16669	1.1
339.17062	0.8
340.18195	1.0
350.16443	1.4
351.16235	0.9
352.17767	2.0
354.15857	1.3
362.16391	1.0
363.16159	1.6
364.17636	1.6
365.17746	1.6
366.19434	1.1
376.17365	1.5
377.17538	2.6
378.19421	1.3
379.19675	4.4
380.20221	1.3
381.20688	1.4
382.19067	1.0
389.18127	1.2
390.18753	1.5
391.19559	3.8
392.20108	2.7
393.16922	2.8
393.20724	2.6
395.18472	1.6
395.23056	1.2
399.94687	0.9
403.19214	1.0
404.16821	0.8
405.20566	3.0
406.17468	1.3
406.21982	1.7
407.18494	3.4
407.22479	2.9
408.19296	3.9
409.20410	5.6
417.17404	1.3
418.18134	1.3
420.20511	0.8
421.19449	4.3
421.24310	2.3
422.20996	3.5
423.16000	1.1
423.21848	19.1
424.21329	1.3
429.20700	0.8
431.18515	1.6
433.20132	2.2
435.22168	7.0
436.23099	4.0
437.24026	4.5
438.21811	1.1
440.23328	1.2
446.13510	1.0
446.20880	1.6
447.21820	2.0
449.23245	3.4
450.24094	1.1
451.20807	5.1
452.22083	1.0
453.23141	1.8
454.19836	3.8
456.22958	1.5
460.21893	1.1
461.23584	6.6
462.20886	1.4
463.21088	3.4
464.22012	2.6
465.23315	3.8
466.22760	0.7
467.25314	3.6
468.24905	2.4
476.22043	1.1
477.23154	6.3
478.23331	2.7
479.24094	5.6
480.21976	1.3
481.22412	1.1
493.21103	7.1
493.27066	1.3
494.26044	5.3
495.23499	12.4
496.24469	4.5
497.25323	1.3
505.21796	1.2
507.24173	1.3
508.24863	14.5
509.25854	9.9
510.26221	10.7
511.27246	12.2
516.24548	1.3
519.23663	2.3
521.25763	4.5
522.25897	3.3
523.23157	5.1
525.28479	1.6
526.28259	2.3
537.25085	17.2
538.25494	7.9
545.38409	1.7
549.25024	1.7
551.23145	1.7
553.28955	6.5
555.26086	2.1
563.26544	1.1
565.24066	2.9
566.24963	1.5
570.28314	4.5
581.27661	18.9
582.26837	2.1
583.25830	5.9
583.34113	1.3
595.29199	1.1
596.27112	1.8
597.27069	40.0
598.27942	5.9
600.58124	1.0
607.25110	2.2
613.30249	73.7
614.30310	2.3
625.26605	100.0
626.26459	2.4
639.27454	0.9
657.29169	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	656.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
55.05507	0.5
56.96572	0.4
57.03441	0.9
61.89358	0.3
65.03929	0.4
67.05515	1.2
69.03432	0.9
69.07072	12.9
70.80170	0.7
70.80508	0.3
71.05026	0.6
73.02892	0.3
73.06566	0.8
79.05499	5.0
81.03474	0.4
81.07053	0.4
85.02910	0.6
91.05485	9.7
95.04977	0.3
97.02925	0.7
97.06535	61.6
98.06862	0.4
98.97571	0.5
109.06516	0.9
115.07556	1.4
116.15657	0.3
119.04945	6.7
119.08566	0.4
121.06488	0.6
123.18287	0.3
131.00211	0.5
132.20146	0.3
133.06505	0.6
135.04431	1.1
137.05984	73.3
138.06325	0.7
147.03171	0.5
147.04399	4.3
149.01237	0.4
149.06012	1.7
156.03606	0.7
159.06815	0.4
161.09547	0.5
163.07593	1.3
166.08594	0.4
169.53244	0.3
171.01334	0.3
189.09123	10.1
191.10672	0.3
205.12251	0.6
215.10670	1.3
223.09973	0.4
231.08925	0.6
233.11734	64.8
234.12115	0.9
250.14389	100.0
251.12769	24.2
252.09464	1.6
260.09311	0.5
261.09927	2.0
262.10400	0.4
268.15433	9.8
269.09546	1.8
304.97427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30141	0.8
67.05487	1.3
71.19852	1.0
71.20177	0.9
111.88594	0.8
179.59682	0.9
191.01933	1.0
215.42186	0.9
375.12042	1.0
403.19449	1.4
404.20401	1.2
405.21121	1.2
411.16010	1.2
413.17856	1.9
425.17612	1.6
426.17761	1.1
427.19150	2.9
428.20215	1.5
441.19202	4.0
442.21722	1.6
447.21832	1.1
448.14792	1.1
449.15292	1.1
453.17657	2.0
455.19870	1.2
463.16882	3.5
464.17801	1.1
477.18143	4.4
478.19415	2.4
483.22205	1.2
484.22800	1.5
487.21494	1.4
491.20135	1.8
492.20978	2.7
493.17795	6.3
495.16287	1.1
501.23114	1.2
505.18094	1.1
506.19003	3.0
510.17874	1.5
511.22113	1.2
519.19727	10.1
520.16510	3.1
523.19373	2.0
533.17444	2.6
537.20801	4.2
543.24347	1.0
551.22186	6.1
563.22168	1.9
571.23383	2.0
579.21637	33.0
607.21075	13.4
621.26849	2.7
639.23657	100.0
640.23767	2.2
657.24738	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	657.292
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21192	5.1
71.08635	0.8
95.08644	0.6
109.84943	0.5
121.10155	0.7
132.08081	0.6
144.08177	0.7
146.09709	0.8
178.66655	0.5
185.07317	0.5
204.14041	0.7
209.10744	0.6
211.12315	0.7
221.10780	0.9
223.12393	1.5
233.10759	0.8
235.12384	0.9
237.13931	1.2
247.12343	1.9
249.10043	0.5
249.13910	1.4
259.12357	0.9
261.13943	0.8
262.13782	0.7
273.13785	1.8
274.13666	0.9
275.15552	0.7
276.15027	1.0
286.13434	0.8
287.15421	0.8
288.16037	1.6
289.16705	0.7
292.14618	0.6
300.15094	0.8
302.16711	0.6
304.14893	0.6
312.15207	1.1
314.16592	0.9
318.15988	0.8
326.16702	0.9
330.15988	0.6
338.16522	1.1
340.18442	1.1
350.16409	1.5
351.16583	0.6
352.17966	1.6
354.15863	1.0
354.19748	1.0
363.16132	2.0
364.17612	1.8
365.17938	2.6
366.19000	0.9
370.15634	0.6
373.15573	0.7
375.16055	0.9
376.17630	2.1
377.17764	2.9
378.19305	1.4
379.19376	4.4
380.20694	1.0
381.21042	1.3
388.17981	1.0
389.18164	1.2
390.19095	1.2
391.19537	2.6
392.20193	2.2
393.17099	2.0
393.21640	2.5
394.17963	1.1
395.18539	1.5
395.22766	1.2
404.20877	0.7
405.20786	2.0
406.21683	2.0
407.18570	2.2
407.23450	3.2
408.19571	3.4
409.20313	4.9
417.17380	1.3
418.18317	0.6
419.18753	1.8
419.23325	0.8
420.19550	1.0
421.19736	5.5
421.24930	1.3
422.21173	2.5
423.21884	15.2
424.22659	1.1
431.18918	0.8
432.19879	0.8
433.20499	1.4
434.21338	1.1
435.22119	7.4
436.23190	4.0
437.23996	3.1
438.24060	0.6
439.21536	0.9
442.21301	1.2
443.22852	0.8
446.21234	2.6
447.21939	1.5
448.19998	0.7
449.23331	3.0
450.25125	2.6
451.21078	4.6
452.22745	1.0
453.23087	1.2
454.19864	3.7
456.22919	1.6
461.23581	6.7
462.20804	2.2
463.21490	3.4
464.21948	1.9
465.23398	3.7
466.22223	1.2
467.24796	3.3
468.25034	1.8
476.22119	1.8
477.23016	4.9
478.24588	2.8
479.25415	5.7
480.22156	0.9
481.22269	2.5
483.23700	0.7
491.20718	1.8
492.22372	0.6
493.22510	5.0
494.26834	4.5
495.23657	12.9
496.24966	3.0
505.22644	1.7
506.22696	0.8
507.23727	1.7
508.24796	13.6
509.25714	11.6
510.26413	11.2
511.27356	11.3
516.25177	1.2
519.23993	1.9
521.25745	4.9
522.26892	2.8
523.23132	4.2
525.28375	2.3
526.28674	1.7
537.25128	15.6
538.25714	8.3
545.38141	1.4
549.25134	1.0
550.23212	0.8
551.23346	1.2
553.28662	7.5
555.26257	1.7
563.26874	0.7
565.24585	4.7
566.25317	1.0
570.28094	3.9
581.27673	16.0
582.26123	1.0
583.25500	5.0
595.28760	0.9
597.27112	40.5
598.27777	4.8
607.25818	1.7
613.30261	64.7
614.30743	1.6
625.26575	100.0
626.26758	2.1
657.29358	9.6
657.41553	1.0
687.24847	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01874	1.6
57.03437	0.3
61.02917	0.3
65.03973	0.3
67.05509	1.3
69.03416	0.8
69.06719	0.6
69.07067	6.4
69.07417	0.6
70.06585	0.3
71.05023	0.3
71.56475	0.3
75.82446	0.3
78.53047	0.3
79.05494	6.0
81.03417	0.3
81.07063	0.7
85.02901	0.7
91.05479	6.1
93.07019	0.7
95.04987	0.5
97.06532	78.2
98.06883	0.3
105.07024	0.3
105.10682	0.3
107.04948	0.6
108.11137	0.3
119.04943	4.9
121.18040	0.3
127.03932	0.4
133.06516	0.6
133.10124	0.4
135.04385	1.1
135.11659	0.4
137.05977	55.7
147.04414	3.7
149.06000	0.9
161.09604	0.3
163.07510	0.5
169.09995	0.3
174.11288	0.4
189.09128	7.9
191.10742	0.5
205.12192	0.5
207.06516	0.3
215.10733	1.1
224.08176	0.3
233.11720	67.7
234.12108	0.4
241.07359	0.4
250.14380	100.0
251.12772	0.9
251.14944	0.6
268.15320	0.5
287.05508	0.8
288.05859	0.5
306.52219	0.3
440.30511	0.4
458.31207	0.5
476.31958	0.6
656.32507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49789	0.3
55.01870	1.6
55.05516	0.5
57.03426	0.6
65.03954	0.3
67.05500	2.1
69.03445	0.7
69.07068	13.0
70.06591	0.4
71.04979	0.7
71.56580	0.3
73.06558	1.0
74.69473	0.3
76.88232	0.3
79.05496	5.7
81.03429	0.4
81.07049	1.0
85.02907	0.8
91.05482	8.9
93.07044	1.4
95.04964	0.5
95.08608	1.2
97.06532	67.3
98.06870	0.4
98.97588	0.5
105.07005	0.9
107.04956	0.5
107.08600	0.9
109.06526	0.8
109.10143	0.7
110.09698	0.3
113.05976	0.4
115.07575	1.2
119.04942	7.0
121.06561	0.6
121.10194	0.7
131.04877	0.3
133.06522	0.7
133.10127	2.0
134.10538	0.3
135.04391	1.4
135.08040	0.4
137.05978	76.5
138.06314	0.6
138.09090	0.5
147.04425	4.5
147.11737	0.5
149.05908	1.4
156.10233	0.9
161.06018	0.4
161.09596	0.5
163.07475	0.6
173.05942	0.4
174.11269	0.4
175.07591	0.3
181.04980	0.5
187.11247	0.4
187.90224	0.3
189.09109	9.7
191.10686	0.6
191.14326	0.4
205.12257	0.4
211.48721	0.3
215.10748	1.5
224.08107	0.3
233.11726	65.5
234.12082	0.9
249.11165	0.5
250.14383	100.0
251.12764	21.3
261.47098	0.3
266.13913	0.5
267.14215	0.5
268.15472	8.1
422.29208	0.5
440.30237	2.0
458.31079	2.1
476.32068	1.6
494.33646	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.4
57.03438	4.1
57.07076	40.0
61.02928	8.7
67.05503	10.9
67.92071	0.6
69.03428	1.2
69.07067	8.8
71.08633	32.3
71.56903	0.9
73.02911	4.2
75.04478	2.6
81.07056	16.1
83.08619	12.1
85.02910	10.2
85.06528	0.9
85.10184	19.8
89.06052	0.8
91.03965	8.4
93.07050	2.0
95.08608	23.9
97.02896	5.0
97.06516	0.8
97.10173	6.7
99.04444	0.8
99.11729	1.3
103.07571	1.3
107.08579	0.6
109.10162	11.0
111.11738	1.0
115.26227	0.6
120.48014	0.6
123.11705	5.3
125.13329	1.0
127.03910	3.6
137.13255	2.6
145.05005	3.4
151.14879	0.9
163.06029	6.3
221.22679	1.0
239.23694	26.2
257.24738	4.0
298.27438	0.7
313.27371	100.0
314.27747	1.7
331.28415	21.0
347.17319	0.9
360.06049	0.7
375.04462	0.7
401.29562	0.7
475.32578	2.1
655.27954	0.9
655.39679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.01867	1.0
55.05508	0.4
57.03437	0.5
61.02934	0.5
65.03960	0.4
67.05520	1.3
69.03431	1.2
69.07071	14.4
69.18676	3.1
70.06594	0.8
71.04985	1.2
73.06554	1.1
73.86400	0.3
79.05499	4.7
81.07042	0.4
83.04965	0.4
84.08150	0.7
85.02898	1.6
91.05482	9.6
93.07088	0.5
97.02892	0.6
97.06534	48.6
98.97565	0.4
99.85225	0.4
105.07070	0.4
107.04972	0.7
109.06548	0.8
115.07578	2.3
119.04946	7.1
121.06517	0.7
131.04933	0.4
133.06479	0.8
135.04396	1.0
137.05981	80.8
146.16566	0.4
147.04404	3.2
149.06006	1.7
149.09602	0.3
156.03600	0.4
163.07510	1.5
189.09126	9.9
191.10568	0.5
205.12190	1.1
209.11745	0.5
215.10699	1.2
223.06558	0.5
227.12732	1.0
233.11734	56.9
250.14391	100.0
251.12793	53.4
251.14749	1.3
260.08798	0.4
261.09848	0.5
266.13867	0.4
268.15457	18.0
294.70123	0.4
373.13763	0.4
427.12811	0.7
656.34271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.8
56.67484	0.4
56.96304	0.9
56.96568	16.7
57.03433	0.8
57.07078	6.1
61.02928	2.4
64.52139	0.5
67.05490	1.7
69.03430	0.6
69.07053	1.4
69.72546	1.3
69.72947	0.8
71.08632	4.5
71.95254	1.6
72.96030	1.0
73.02908	1.1
79.05502	0.5
81.07065	3.5
81.75594	0.4
83.08609	1.9
84.96037	0.9
85.02896	2.0
85.10181	2.5
85.49806	0.5
86.39352	0.4
91.03954	1.9
93.07030	0.5
95.08611	4.2
97.02901	1.5
97.10150	1.2
98.20721	0.4
98.97579	1.9
105.00164	1.1
105.07062	0.6
109.10145	1.7
110.97596	1.4
112.99162	0.5
115.00661	0.7
119.01738	0.4
123.01193	0.8
123.11723	0.9
127.03920	0.9
128.98601	2.5
131.00172	1.5
132.99646	0.5
133.10172	0.6
141.02316	0.6
143.00156	0.5
145.04977	0.9
146.99667	1.1
149.01244	1.7
151.00737	0.9
153.02274	0.5
155.03772	0.6
156.03596	1.2
161.02620	0.5
163.06046	1.7
167.03883	0.5
169.01707	0.8
171.03270	1.4
171.06941	0.9
173.04883	0.7
175.06525	0.6
185.04774	2.2
187.02733	0.6
189.04384	0.7
189.07980	3.1
191.03915	0.6
193.05435	0.7
197.04906	1.1
199.06416	2.3
201.04349	0.6
203.05905	1.9
203.09586	0.7
207.07071	0.7
211.06465	1.0
212.09708	0.6
213.08022	1.2
215.09569	0.5
217.07504	1.2
219.07042	0.6
219.81369	0.5
221.08556	0.6
225.08014	2.2
227.05879	0.5
229.07506	0.7
231.09113	1.2
235.06554	0.6
235.10014	0.7
237.08012	3.3
239.09550	1.8
239.23711	4.2
243.09023	1.2
243.29790	0.5
251.09579	1.4
253.11099	1.7
255.09047	1.4
257.10748	0.8
266.14783	0.5
269.14334	0.5
271.12274	0.5
293.05417	1.1
295.12137	0.5
305.17590	0.5
307.19635	0.7
313.20746	0.5
313.27368	11.7
315.16269	2.4
331.28336	2.4
333.17346	41.8
339.19202	2.8
347.17212	16.2
347.67502	2.8
351.18433	100.0
352.18771	1.1
367.68509	2.3
368.18594	0.4
369.19507	18.9
374.20056	17.8
375.20413	0.6
384.13223	0.5
390.14282	0.5
392.21017	1.8
433.20081	0.5
445.78577	0.5
458.16919	1.6
476.06522	0.4
476.18234	1.1
495.10287	0.5
577.24176	1.0
595.25116	1.1
637.37317	2.8
655.27509	4.6
655.38617	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16454	0.5
55.05505	0.9
56.96565	30.8
57.03418	1.0
61.02924	0.8
67.05489	2.2
69.07065	5.6
71.56955	0.7
71.95265	3.4
72.96027	1.1
79.05462	0.9
81.07043	1.9
81.57470	0.5
84.96023	2.1
85.02882	0.9
91.05476	1.8
93.07032	1.7
95.08637	1.3
97.96817	0.7
98.97554	1.5
104.10733	0.9
105.00168	1.1
105.07064	1.2
107.08575	1.3
110.97559	2.9
119.08578	0.9
123.01158	1.0
127.00732	1.0
128.98578	3.3
131.00211	0.6
131.08577	1.0
133.10150	0.9
136.99001	0.9
137.02760	1.3
139.00659	0.7
145.10133	0.7
146.99670	0.7
149.01349	0.7
149.02715	0.7
151.00667	1.1
153.02242	2.0
155.00163	2.6
155.03821	1.6
157.01736	1.3
159.03233	0.7
161.01175	0.9
165.02258	0.8
165.99487	0.8
167.00201	1.4
167.03839	0.7
167.97246	0.6
169.01714	2.1
171.03296	5.1
173.01270	1.6
175.02750	1.0
181.01691	0.6
181.05295	3.6
183.03271	1.3
184.07332	1.9
185.01236	1.4
185.04868	3.1
187.02788	1.1
189.00934	0.6
189.04326	2.7
191.03842	1.1
193.05373	1.2
195.03401	0.8
197.04865	2.7
199.06413	31.4
201.04236	0.7
203.05974	1.9
205.05412	1.3
207.03415	0.7
209.04883	1.4
209.08466	1.6
211.06456	5.4
213.04341	1.9
213.07950	2.1
215.05994	1.6
217.05408	3.0
217.07451	29.6
219.03307	0.7
221.04958	1.0
221.08574	1.0
222.08084	3.2
223.02751	0.9
223.06369	3.6
225.08031	2.7
227.05931	2.1
227.09535	15.6
229.05475	0.9
229.07397	2.9
231.06912	0.8
231.08940	1.4
233.08479	0.8
234.08025	0.8
235.06415	1.9
235.10118	1.3
237.04285	0.7
237.08032	2.1
239.05971	0.9
239.09605	1.8
240.06799	0.8
240.09077	2.4
241.07443	4.0
243.09143	1.3
245.10622	12.0
247.06598	1.3
249.07953	0.8
250.11115	2.3
251.09576	1.7
253.07452	6.1
253.11075	9.8
255.09024	7.1
259.08548	1.4
261.08112	1.0
265.07547	10.6
265.10703	1.4
267.09140	2.7
268.12210	0.8
269.10574	1.0
271.08908	2.8
271.12115	2.4
273.10135	2.8
276.12686	1.2
277.07419	0.7
279.09024	7.8
283.08533	18.7
283.11703	1.3
284.09381	0.7
288.09070	1.4
295.15823	2.2
297.10086	10.8
301.09610	2.8
302.10703	0.8
303.16348	3.4
306.10229	2.6
309.10309	0.8
311.13211	0.7
315.11060	1.7
319.15833	2.0
320.11682	1.0
321.17279	3.8
329.14209	5.6
332.19153	0.8
333.19208	2.1
337.16992	1.3
344.18777	0.8
345.20358	3.2
346.20648	2.3
347.15286	26.3
347.21228	1.3
351.19891	2.2
365.16360	68.9
370.17007	2.0
383.17563	5.1
388.17938	15.0
483.25778	0.6
637.41351	0.9
655.35052	100.0
656.35034	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	655.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
55.93530	0.3
56.96564	31.1
67.05527	1.4
69.07086	1.2
69.59274	0.7
69.59689	1.3
71.95271	4.4
72.93801	0.6
72.96062	1.0
74.97642	1.2
79.05515	1.4
81.03421	0.5
81.07053	1.6
83.08605	0.4
83.55283	0.3
84.96039	2.2
86.09718	0.6
88.99428	0.4
91.05511	1.0
93.07040	0.8
95.08624	0.6
97.96312	0.4
97.96863	1.4
98.20729	0.4
98.97587	4.3
98.98091	0.3
105.00207	1.2
105.07043	2.2
107.04978	0.4
107.08604	0.6
110.97573	6.0
110.98328	0.4
112.99164	0.5
115.00735	0.8
115.97902	0.8
116.98622	1.7
119.01670	0.3
119.08606	0.4
123.01203	0.8
124.99108	0.5
124.99976	0.4
127.00697	0.8
128.96556	0.3
128.98607	7.5
129.02306	0.9
131.00209	1.1
137.02786	0.9
139.00693	1.3
141.02245	0.9
143.00168	0.7
143.08646	0.4
145.01819	0.5
146.99669	3.5
147.03354	0.8
149.01248	0.9
151.00728	1.3
151.04247	0.5
152.00249	1.0
152.98737	0.4
153.02217	3.5
153.03130	0.3
154.08055	0.3
155.03839	1.5
157.01752	1.4
159.03384	1.2
161.01244	1.0
163.00768	0.3
165.00826	0.5
165.02278	1.1
166.97900	0.5
167.00032	0.4
167.03835	1.4
169.01756	1.5
169.05391	0.6
170.01311	0.6
171.03291	12.4
173.04865	2.3
175.02853	1.3
177.02260	0.8
177.04410	0.9
179.03885	0.5
180.79750	0.3
180.93591	0.3
181.01796	0.7
181.05431	0.9
183.03288	2.5
183.07013	0.4
184.04129	0.4
184.07379	1.2
185.01260	0.6
185.04839	5.8
187.02867	0.6
189.04352	10.7
189.06047	0.7
191.03949	0.7
191.05939	1.1
193.03926	0.7
193.05501	0.6
193.12276	0.4
194.04887	1.6
195.03430	0.7
195.06990	0.6
197.01286	0.5
197.04892	3.1
197.08620	0.5
198.01938	0.4
199.02780	0.7
199.06419	4.9
201.04420	1.7
201.06154	0.4
201.08029	1.3
201.09677	0.4
203.05893	5.0
203.07533	0.4
205.01785	0.6
205.05447	1.2
206.02658	0.6
207.03334	1.0
207.05331	0.7
207.07076	0.7
208.06427	0.5
209.04855	2.0
209.06676	0.4
210.02013	1.0
211.02815	0.6
211.06366	1.6
212.05936	0.8
213.04352	1.0
213.06259	0.4
213.08086	0.8
214.05190	0.3
215.05833	2.3
217.05525	0.6
217.07530	2.4
219.03297	0.7
219.07051	1.2
219.09122	0.9
222.08177	0.4
223.06442	1.2
224.03653	0.8
225.04356	1.6
225.07974	1.5
226.07565	0.7
227.05881	5.5
227.09395	0.5
228.06754	0.5
229.07422	2.4
231.03328	1.3
231.07114	0.6
231.09096	0.7
233.04976	0.6
235.02829	0.9
235.06339	0.8
237.04405	0.9
237.07980	1.8
239.05943	0.7
239.09642	0.6
241.07481	0.9
241.11206	0.5
243.09027	5.0
245.04681	0.6
245.06865	3.3
245.10745	0.5
247.06367	0.5
247.08495	0.7
249.04314	3.4
249.08133	1.3
250.05200	1.6
250.07385	0.7
251.05902	0.7
251.09528	1.6
253.03986	0.4
253.07510	1.4
253.11081	0.4
255.09013	7.0
260.07181	3.6
261.07797	0.7
261.10071	1.8
263.09799	0.5
265.07584	2.3
265.11194	0.6
266.10779	0.7
267.05933	0.5
267.09015	5.1
268.06177	0.6
269.10553	3.8
272.06155	0.5
273.09973	3.0
277.07455	1.0
277.11273	0.4
278.08228	15.2
279.09030	3.1
281.14267	0.4
283.08536	1.9
283.13699	0.6
285.10098	2.6
287.11774	1.1
289.11026	0.6
290.10730	0.6
291.12607	0.4
292.12454	0.5
293.10504	0.5
295.08618	0.7
296.09308	4.2
297.10394	0.4
301.09698	3.1
301.14667	1.6
302.10669	0.5
303.16559	0.6
305.10690	0.4
305.14032	0.5
311.13406	0.8
317.14328	1.1
318.11203	0.4
319.12201	0.5
319.15878	1.7
321.13858	1.3
321.17416	0.6
327.12848	0.4
329.14224	27.4
330.14828	0.5
331.12061	0.6
333.19095	1.1
335.15146	0.5
337.16940	0.5
345.11191	0.8
347.15332	100.0
348.15851	1.3
352.15833	0.7
363.12802	1.1
365.16473	56.9
366.16769	0.8
370.16885	6.8
383.17450	2.1
388.18018	13.8
416.41074	0.4
512.88190	0.4
512.96637	0.4
557.27661	1.5
559.44519	0.4
637.33978	3.2
655.35065	45.5
656.35529	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52052	0.3
56.96515	22.6
56.96822	1.6
56.96947	0.8
57.03406	0.4
65.82098	0.3
66.54282	0.2
67.05473	0.5
69.07057	0.4
69.90087	1.1
71.95267	2.6
72.95984	1.2
74.97578	0.3
79.05432	0.3
81.03378	0.4
84.96030	1.6
91.05409	0.3
93.07018	0.3
97.06460	0.4
97.96737	0.5
98.20778	0.3
98.21333	0.6
98.97515	1.1
105.00111	0.9
110.97566	3.0
112.99076	0.4
115.00636	1.1
115.97752	0.3
116.98585	0.4
119.01653	0.8
123.01136	1.2
124.99039	0.3
127.00646	0.6
128.97858	0.2
128.98602	2.9
129.02261	1.4
130.19191	0.2
131.00148	0.4
132.99557	0.3
133.01733	0.4
137.02679	1.1
139.00586	0.8
141.02232	1.5
143.00089	0.6
145.01665	0.5
146.99585	0.8
147.03169	1.1
149.01164	0.4
151.00604	0.8
151.04266	0.3
152.00165	0.3
153.02170	1.1
155.03745	0.8
157.01640	0.5
159.03212	1.1
161.01198	0.3
161.04805	0.3
163.00717	0.3
165.02197	1.1
167.00246	0.3
167.03737	0.9
169.01659	1.1
169.05304	0.6
171.03305	1.8
173.04880	0.4
175.02730	0.5
177.02158	0.8
177.04347	0.4
179.00185	0.3
179.03752	0.9
179.07463	0.4
181.01869	0.3
181.05354	0.5
183.03275	1.4
184.00380	1.1
184.07260	0.4
185.04869	2.7
187.02728	0.3
189.04306	0.8
189.05811	0.3
191.03748	0.6
191.05777	0.4
193.05331	1.1
195.03236	0.7
195.06895	0.7
197.04822	1.1
197.06453	0.3
197.08371	0.4
199.06442	2.2
201.04254	0.8
201.05875	0.3
202.01439	1.0
203.03865	0.6
203.05856	1.8
203.07439	0.5
205.01665	0.7
205.05341	1.0
205.07457	0.6
205.09201	0.3
207.06905	1.6
209.04843	0.6
211.06439	1.8
213.07932	0.7
215.05768	0.7
217.05339	0.9
217.07440	1.5
219.03300	0.3
219.06966	1.8
221.04840	0.8
221.08392	0.6
223.02745	0.6
223.06342	0.8
225.07968	7.6
227.05811	0.5
227.09430	0.3
229.07498	0.8
231.06863	0.7
231.08894	0.4
233.04756	0.3
233.08492	0.8
235.06348	1.1
235.10054	1.2
237.04288	0.4
237.07977	5.8
239.09538	1.0
241.07396	0.5
243.08986	3.4
245.08453	0.8
247.06512	0.4
248.09621	0.6
249.08095	0.9
251.05704	0.3
251.09483	2.0
253.07173	0.4
253.11111	8.6
255.08966	2.3
257.08420	1.0
257.10703	0.6
260.09662	0.3
263.09558	1.6
265.07413	0.3
267.08929	0.4
267.12418	0.3
269.10559	0.9
271.05920	0.3
271.12213	3.4
273.11560	1.0
275.09512	3.1
276.12762	1.0
277.10922	0.4
281.10477	0.7
287.09485	0.3
289.11084	0.7
291.12598	2.1
293.10410	1.7
301.14630	1.0
303.12744	0.4
303.16241	0.4
305.14172	0.7
307.12094	0.3
311.13153	0.5
319.15671	0.4
321.17154	0.4
327.12631	0.5
329.14224	32.9
330.14520	0.5
331.17899	0.3
347.15265	100.0
348.15512	1.2
365.16354	59.2
366.16650	0.7
370.16931	4.8
383.17575	0.8
388.17950	8.7
537.59808	0.3
637.34082	4.8
655.35168	41.0
656.35358	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36579	0.2
62.76735	0.2
69.70527	0.5
69.70921	0.3
75.04466	0.3
79.05492	0.2
81.18716	0.2
99.84866	0.2
100.88258	0.2
109.24954	0.2
168.89378	0.2
172.04004	0.2
183.09207	0.2
376.16821	0.2
377.17853	0.4
380.74301	0.2
390.18353	0.4
391.19250	0.9
392.20096	0.5
393.20822	0.6
403.19342	0.3
404.20547	0.2
405.16376	1.6
405.21039	0.8
406.17258	0.4
406.22040	0.4
407.17725	0.3
407.22437	4.3
408.23312	0.4
418.17850	0.5
419.18118	2.9
419.23257	0.5
420.18649	1.1
420.24020	0.3
421.19757	1.3
431.18961	0.3
432.19327	0.4
433.20563	4.8
434.21091	4.4
435.21860	7.6
436.22449	0.6
445.20386	0.2
446.21213	0.5
447.17978	1.4
447.22299	1.5
448.18863	1.2
448.23318	0.6
449.19000	2.0
451.21222	0.5
459.21796	0.2
460.22754	0.3
461.19531	1.3
461.23993	1.0
462.20343	4.6
463.21231	4.0
464.22180	0.3
465.23096	0.2
475.21271	1.5
476.22171	0.9
477.22745	1.7
478.23584	0.4
479.20694	0.6
489.23047	1.0
490.23874	0.3
493.21497	0.9
493.27109	0.3
494.23309	0.6
495.23547	1.2
505.22833	0.2
506.23376	0.3
507.24936	1.2
508.24719	2.0
509.25534	1.6
520.24243	0.2
521.25702	11.2
522.26111	0.5
534.22888	0.2
535.26294	0.7
540.27405	0.5
547.27344	0.3
549.24994	17.5
550.25751	0.5
553.24707	0.8
563.26660	2.4
564.27271	0.9
565.28168	0.4
577.24274	0.9
580.24213	0.3
581.27734	3.2
591.26184	0.3
595.29327	9.7
596.29785	0.4
607.29193	0.6
609.27051	11.9
610.27051	0.4
623.29065	1.2
627.32147	0.3
655.31256	100.0
656.31836	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	655.2762
Annotation	Karajinone A
Peak:m/z	Relative Intensity
52.60886	0.8
55.05488	2.6
57.07070	1.6
59.06112	1.1
60.81887	1.0
62.16669	0.9
71.57112	1.2
79.05471	1.2
81.07052	0.8
83.04996	5.5
91.05492	1.6
93.07004	1.9
95.08578	1.2
105.07017	1.5
121.10123	1.1
142.17180	0.8
145.10121	1.0
147.11610	1.1
163.88499	0.8
175.01546	2.5
181.02586	3.0
221.10754	1.4
223.12292	2.1
225.13824	1.4
227.04630	2.6
233.10904	1.0
234.11490	1.1
235.12285	2.3
236.13002	1.8
237.13893	3.6
238.14603	4.4
239.15515	1.4
249.13885	1.9
251.15462	4.4
252.16156	1.7
253.17015	3.0
261.13763	5.7
262.14624	1.7
263.11374	0.9
279.14951	1.4
302.16614	0.9
313.11945	1.7
339.15918	0.9
340.17758	1.0
350.15796	1.0
352.17856	1.5
353.17673	1.3
364.17206	1.7
365.17767	1.0
366.19226	1.1
367.19220	2.7
368.20239	1.5
369.17947	1.3
377.17413	2.4
378.18674	1.0
379.19162	3.0
379.57007	0.9
380.16205	1.7
391.19366	1.4
392.20178	1.7
393.16684	1.3
393.21121	1.6
394.18085	1.5
395.18649	3.8
405.16855	2.5
405.21323	1.8
407.18509	2.0
409.19971	2.5
409.85968	1.0
410.20819	1.4
419.18661	1.2
420.17932	1.0
421.20187	2.0
422.21338	1.8
427.21411	1.3
435.18225	3.8
437.19659	2.6
439.21323	1.8
441.23010	1.3
448.18823	1.9
449.19485	3.0
450.20627	2.1
465.18777	5.5
469.25922	1.7
476.18274	2.7
479.24567	1.8
480.21622	1.4
481.21774	1.4
482.22861	2.6
487.12790	1.1
493.22751	1.8
497.25797	6.3
507.23962	4.9
508.21320	2.6
509.21490	2.0
510.22733	2.3
514.25330	4.7
525.24988	7.8
529.28265	5.5
535.23395	4.0
540.24988	1.1
542.25452	2.3
543.18835	1.8
552.23151	1.4
553.24048	4.0
557.27594	2.9
563.22882	1.6
567.26331	4.8
568.24817	1.2
570.24445	1.4
581.23419	2.4
585.27081	18.8
595.25507	93.7
596.25360	2.8
599.24866	4.0
613.26538	100.0
614.26495	2.3
627.28064	1.4
655.29474	8.0
655.41553	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	654.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01865	1.3
55.05508	0.3
57.03431	0.9
65.03931	0.5
67.05501	1.3
67.38612	0.2
69.03431	0.8
69.07066	13.4
70.06590	0.5
71.04981	0.6
71.56361	0.4
73.06557	1.0
79.05489	5.3
80.65363	0.2
84.08173	0.3
85.02910	0.5
86.06090	0.3
86.60283	0.3
90.71516	0.2
91.05482	9.7
93.07047	0.3
95.04976	0.3
96.96753	0.3
97.06531	66.2
98.97604	0.5
103.05441	0.3
107.08598	0.4
109.06506	0.7
115.07574	1.0
117.06994	0.4
119.04943	7.3
119.08625	0.3
121.06554	0.3
133.06508	0.9
133.10141	0.3
135.04375	1.4
137.05977	79.2
138.06358	0.7
147.04401	4.4
147.11723	0.5
149.06023	1.5
149.09581	0.3
161.09589	0.3
163.03905	1.5
163.07498	0.7
175.32791	0.3
177.08978	0.3
179.06865	0.3
189.09108	9.2
191.10687	0.7
194.82991	0.3
205.12329	0.7
207.13841	0.8
215.10695	1.6
233.11723	65.1
234.12064	1.0
250.14383	100.0
251.12766	29.0
258.96225	0.3
268.15427	12.7
341.06555	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	654.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
55.05511	0.5
56.96581	0.4
57.03439	0.4
65.03952	0.5
67.05500	1.4
69.03421	0.9
69.07070	12.9
70.06593	0.4
71.05007	0.4
71.56118	0.3
73.06561	1.0
79.05489	4.9
81.03445	0.3
84.30840	0.3
85.02897	1.3
85.06528	0.3
91.05483	9.5
93.07046	0.4
95.08596	0.5
97.02924	0.4
97.06533	63.0
98.97581	0.7
105.07056	0.7
107.04943	0.4
109.06512	0.8
115.07576	1.5
119.04932	6.8
119.08607	0.6
133.06488	0.8
133.10083	0.3
135.04453	0.9
137.05980	71.6
138.06305	0.7
147.04414	3.5
147.08083	0.3
147.11684	0.6
148.38295	0.3
149.06003	1.3
163.07526	0.7
166.07613	0.3
173.06114	0.3
189.09109	8.4
189.12805	0.5
191.10620	0.5
205.12218	0.4
207.13776	0.7
215.10748	1.1
231.08954	0.4
233.11729	60.6
234.12010	0.5
250.14388	100.0
251.12766	26.2
252.13290	0.3
268.15451	9.1
269.09616	0.5
341.06616	1.2
350.36108	0.3
376.15579	0.3
450.21725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	4.5
69.07105	0.9
71.16522	1.7
79.05495	1.8
81.07071	4.5
93.07054	1.8
95.08605	3.5
107.08617	1.7
108.59574	0.8
109.10165	1.4
120.08121	2.6
121.10166	1.2
135.11740	0.8
159.11676	0.9
176.63495	0.8
293.24728	2.0
326.12842	1.2
393.21021	1.5
407.22632	1.2
408.23074	1.8
419.22507	1.5
420.19333	0.9
421.19830	1.1
435.22488	1.8
437.23282	1.7
443.18463	1.5
444.19385	2.2
445.19791	0.9
446.21494	0.9
449.19302	1.5
457.19525	0.9
458.21054	10.3
459.22012	1.7
462.20575	1.9
463.21515	2.7
471.22498	1.5
473.18918	1.3
475.21289	2.2
476.22244	1.1
477.23459	3.8
485.19833	4.6
485.24020	2.7
487.21460	2.4
488.22507	1.2
491.21045	3.5
500.21979	1.3
501.18787	1.5
501.23343	2.4
503.24533	1.5
505.21762	1.1
517.22595	2.5
518.23511	1.3
519.24243	5.6
523.27094	1.3
529.22113	2.1
532.24768	2.9
533.25562	1.8
535.27118	3.1
537.25061	2.9
544.24811	8.0
545.24579	1.2
550.26276	1.0
551.26874	9.3
559.23077	1.5
560.24390	3.4
565.27753	1.6
572.24353	1.0
575.26294	8.4
579.25928	1.9
588.23895	1.7
593.27209	1.1
603.25757	3.1
604.26843	1.7
621.27173	1.5
635.28680	51.7
636.28998	1.2
638.27362	1.1
653.29718	100.0
654.29932	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	653.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05464	0.8
57.03415	0.9
67.05476	1.6
69.07011	2.3
71.56491	1.1
74.01222	0.8
77.00877	1.3
79.05457	1.7
81.03368	1.0
81.06998	2.0
91.05415	1.4
93.07012	1.4
95.08577	1.4
97.06481	1.3
104.10694	0.7
104.81632	0.7
105.06985	1.0
105.95372	0.7
107.08556	1.1
109.10103	0.8
119.08510	0.6
145.03392	0.9
157.03502	5.5
157.10008	0.9
162.44624	0.6
169.03412	1.1
171.05006	1.1
175.04547	1.2
183.04987	1.0
183.08672	1.1
184.07291	1.6
189.07585	1.0
199.08221	0.7
201.09663	2.6
202.15894	1.0
207.08629	0.8
211.08189	1.2
213.09674	0.8
215.11185	1.0
219.10733	1.3
221.10329	0.8
225.09773	4.9
231.08702	0.8
237.09541	0.9
241.12926	0.7
243.10818	0.9
245.10258	1.0
249.09795	2.1
251.11307	0.8
263.11292	13.5
267.10788	5.1
281.12366	9.0
286.12927	1.3
290.12210	0.7
299.13501	0.7
300.13788	1.1
303.17923	0.7
304.13782	0.7
313.16544	1.5
321.18893	0.7
331.18817	56.8
332.18887	0.9
345.20370	100.0
346.20712	1.4
349.18643	10.1
354.19202	1.1
367.19553	0.8
372.20242	2.2
575.86707	0.8
635.37872	1.5
653.38959	26.0
654.39148	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2969
Annotation	Haplophytine
Peak:m/z	Relative Intensity
55.96180	0.4
59.35453	0.4
69.80402	2.3
87.48802	0.4
92.46988	0.4
93.07027	0.4
98.20841	0.7
116.69319	0.4
141.79330	0.3
145.85106	0.4
207.09129	0.4
209.10606	0.7
221.10483	0.4
223.12207	0.6
237.13759	0.6
249.13901	0.4
266.87173	0.4
295.14432	0.4
296.11942	0.5
311.14026	0.7
312.14877	0.4
313.15753	0.4
314.16464	0.7
324.14960	0.5
325.15778	0.5
337.15637	0.6
340.19067	0.4
375.16150	0.7
384.17090	0.5
386.18539	0.8
389.17450	1.2
390.18454	1.7
391.19391	1.9
392.20029	0.6
398.18588	0.6
400.20169	0.5
401.17767	0.5
403.19495	2.9
404.20078	3.7
405.20718	11.2
406.21640	0.9
414.22043	0.5
415.19403	0.6
416.20657	0.7
417.21240	2.0
418.21872	2.0
419.22363	8.3
420.23184	3.9
421.23996	0.7
431.17865	0.8
431.22467	1.4
432.23206	1.2
433.23990	6.7
434.18649	0.5
434.24548	3.1
435.18173	1.4
442.21350	0.7
444.19104	0.7
445.20120	1.4
446.25226	0.6
447.21021	4.0
448.19006	1.1
448.26120	1.4
449.19653	6.5
450.20288	2.0
451.21973	0.6
459.21750	1.2
461.19284	0.4
462.20822	0.9
463.21286	6.7
464.22058	3.9
465.22800	3.0
472.18607	1.0
473.19522	0.6
474.24268	0.5
475.20801	2.9
476.22150	0.8
477.22849	4.6
478.23669	4.0
479.24435	36.3
480.24796	1.2
486.20242	0.8
487.21405	4.9
488.21857	0.5
491.20407	2.4
491.25024	2.0
492.25644	2.1
493.25995	1.5
501.22864	5.3
502.23785	1.9
503.24323	0.7
505.26044	1.4
506.26855	0.8
507.27606	20.8
519.23712	3.2
521.21631	0.7
522.22589	0.4
533.25525	5.3
534.25903	1.2
535.23657	0.4
536.24170	1.2
537.25024	11.7
537.33246	0.6
539.25739	0.7
550.25928	1.1
551.26520	34.1
552.26642	0.9
560.25299	0.6
561.24884	6.7
562.25470	1.2
563.23358	1.1
565.19177	0.5
565.28082	18.3
566.28876	64.1
567.29266	1.4
575.26416	1.7
578.25366	0.6
593.27539	9.8
621.27112	11.9
625.29950	0.8
635.28796	3.4
653.29700	100.0
654.30182	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	653.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06080	0.4
71.56160	0.5
78.49161	0.4
79.55236	0.4
107.08616	0.5
133.52946	0.4
139.74521	0.4
222.11649	0.5
223.12328	0.4
375.15985	0.5
377.17761	1.2
389.18127	1.2
390.18597	1.1
391.19220	4.9
392.20181	1.9
403.19913	0.8
404.20303	0.6
405.20761	8.6
406.21402	6.6
417.21014	0.6
418.21921	0.5
419.22647	3.0
420.23001	5.5
421.23892	10.3
433.19412	3.3
434.24622	1.7
435.18259	1.2
436.18958	2.4
445.20132	1.3
447.21753	1.6
449.19797	1.3
449.27615	0.7
450.20383	2.2
451.21399	1.1
452.21973	2.3
459.17316	0.5
460.22437	1.8
461.23502	0.8
463.21494	1.1
464.22171	0.6
465.22876	37.7
466.23172	0.7
473.18982	1.9
475.19928	0.5
475.24991	1.7
477.22696	0.9
478.23508	0.8
479.24481	7.1
480.25073	4.5
487.21191	1.7
488.22186	3.6
491.20087	1.9
492.21622	1.5
501.22958	1.3
502.23615	1.1
503.24426	43.3
504.24844	1.4
505.21994	0.7
506.26065	0.5
507.27698	2.7
533.25439	1.5
535.27039	35.5
536.27264	0.8
551.26532	4.5
561.24963	2.8
565.28229	0.5
566.28949	1.0
579.26013	34.8
580.26312	1.4
593.27673	2.2
594.18878	1.0
594.28345	14.7
621.27075	21.5
653.29700	100.0
654.30316	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	653.2606
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
51.90284	0.9
53.60673	0.8
66.90734	0.9
67.05502	2.4
69.07074	1.3
69.63788	4.3
79.05493	1.4
81.07068	2.7
83.08656	1.1
86.09715	2.0
87.36331	0.8
91.05465	1.2
93.07046	1.7
95.08646	1.6
98.20730	1.2
100.11248	1.4
105.07024	1.6
107.08625	1.1
109.10181	1.2
119.08545	2.0
121.02492	0.9
125.00001	1.7
125.09590	1.2
131.08647	1.1
132.74814	0.9
133.10136	1.1
138.61896	1.0
145.22360	1.0
169.74582	0.9
184.07343	6.6
185.07689	2.1
186.07878	2.1
219.08633	0.8
221.10930	1.1
262.91571	0.9
271.41049	0.9
273.14133	0.8
314.13022	1.0
324.15030	1.0
326.17474	1.6
326.43997	1.0
327.13864	1.6
336.73727	1.0
340.14606	1.5
341.15054	0.9
354.15976	1.5
363.16162	3.2
376.16727	1.3
377.17688	7.3
378.18463	4.1
384.13614	1.5
389.17810	2.8
390.18600	3.8
391.19406	8.4
392.20172	4.5
393.20676	5.2
401.17673	1.5
403.19366	3.1
404.20190	1.5
405.20981	6.7
406.21606	3.4
407.22394	14.8
415.19647	1.4
417.20929	2.6
418.22150	1.1
419.22366	3.9
420.19360	1.7
421.20401	7.3
428.02301	0.9
430.18036	1.1
431.18503	2.6
432.19635	1.0
433.20355	3.3
434.21005	3.5
435.17264	1.2
435.21906	15.3
436.22812	2.6
437.19904	3.2
445.20724	2.0
447.21674	3.5
448.22653	1.6
449.19745	2.8
451.21277	5.5
459.17563	1.8
460.18658	1.2
461.18991	1.5
461.23776	2.8
462.24677	1.9
465.19235	10.6
466.19910	3.8
473.19809	3.1
475.21432	2.1
477.18839	2.5
479.20709	21.8
480.21649	3.3
481.35449	1.1
487.21982	1.2
489.22836	3.9
493.26147	1.7
497.19968	1.2
501.19324	6.1
502.20209	2.1
503.20944	1.8
505.17932	7.3
506.20026	1.5
515.20795	6.3
516.21735	2.7
517.22412	33.1
518.23151	1.5
519.24182	1.4
520.24884	1.0
521.25659	8.2
522.26288	2.3
523.23242	1.2
533.21857	2.0
537.25671	5.1
538.26166	1.2
547.23480	3.5
548.22760	1.3
549.25031	36.8
551.22742	10.3
561.21436	1.4
565.24414	6.8
566.25220	21.1
575.22894	10.8
576.23334	1.4
593.23822	14.5
594.24823	1.9
607.25665	5.3
609.27075	7.6
625.26813	2.5
635.25031	93.1
636.25549	1.9
653.26062	100.0
654.26422	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	651.2815
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
50.33683	1.4
67.05499	5.8
69.07070	3.3
69.75060	7.0
79.05479	3.8
81.07043	5.7
83.08614	2.9
91.05488	4.7
93.07063	3.4
95.04974	1.8
95.08604	4.0
98.21465	3.5
99.74228	1.5
105.07004	5.2
105.77385	1.6
107.04924	2.1
107.08619	1.9
109.10139	1.9
119.08531	1.6
121.10168	1.9
125.26257	1.5
133.10143	2.0
134.76662	1.6
135.11667	1.6
184.07365	5.2
243.98732	1.6
275.19913	1.7
387.15836	2.1
399.15952	2.1
400.16635	3.3
401.17468	3.4
407.22455	3.3
413.17773	1.8
414.18182	4.6
415.19370	9.3
428.20413	4.2
429.21024	7.5
443.17838	3.0
443.23087	2.7
444.18994	2.3
445.20428	2.1
447.17868	2.3
457.20181	5.0
458.20871	4.8
471.22241	8.3
472.22910	4.5
473.19855	4.8
485.19363	2.6
486.20563	4.8
487.21243	3.3
490.19846	4.5
499.21255	9.8
500.21964	2.4
503.24759	3.8
516.21210	2.0
517.21991	5.0
527.20758	3.3
531.23969	12.8
549.24933	6.4
559.23395	84.2
560.23169	2.7
587.22815	13.5
619.25525	100.0
651.28302	22.7
651.38702	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	651.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01871	1.5
55.05267	1.4
55.05513	19.3
56.96551	1.5
57.03433	2.6
57.07079	9.8
58.81608	1.1
61.02929	4.7
67.05508	31.6
69.03424	6.0
69.07068	37.5
70.06583	2.2
71.04990	3.7
71.08637	5.6
71.56828	1.4
73.02917	1.6
75.06190	0.9
76.16476	0.9
79.05492	21.1
81.03419	6.5
81.07058	100.0
82.07413	1.5
83.04989	2.4
83.08620	21.5
84.08125	1.5
85.02907	28.2
85.06537	7.0
85.10167	2.1
86.09713	1.4
91.03958	4.1
91.05487	9.8
93.07044	36.1
95.04978	7.3
95.08611	88.0
97.02908	10.3
97.06540	11.8
97.10171	17.8
98.97578	1.8
99.04462	1.8
99.08096	5.8
105.07033	17.7
107.08595	33.7
109.02877	2.6
109.06519	1.8
109.10159	53.4
111.08083	2.7
111.11718	11.1
113.09666	1.3
117.07048	1.0
119.08582	12.9
121.10144	26.5
123.08054	2.9
123.11712	26.1
125.02372	1.3
125.09641	2.9
125.13255	3.4
127.03909	6.2
127.11214	1.6
129.12761	1.2
131.08597	2.2
133.10135	12.8
135.11693	20.4
137.05978	2.6
137.09608	4.7
137.13263	14.6
139.11185	1.5
145.04916	6.2
145.10114	1.9
147.04430	1.3
147.11714	11.0
149.09598	1.4
149.13260	30.6
151.11230	1.9
151.14851	8.3
155.10631	3.0
157.10127	2.2
159.11722	1.6
161.13264	7.7
163.06097	2.1
163.14821	17.7
165.12811	2.3
165.16409	2.8
173.13351	1.2
175.14827	5.3
177.09132	1.1
177.16389	7.0
179.17958	2.8
184.07370	1.5
189.09085	0.9
189.16371	3.7
191.10690	1.0
191.17917	4.9
203.10681	3.8
203.17969	3.7
204.06657	1.1
209.18974	1.3
217.19518	2.9
235.20566	1.4
247.24170	2.9
255.13837	2.2
261.25787	4.9
269.13577	1.0
273.25775	16.1
275.75433	1.1
279.26819	19.3
291.26837	24.8
297.27911	4.4
309.27921	18.6
327.28961	3.5
344.18570	5.8
398.19852	1.3
402.12582	1.3
472.23175	2.1
510.22003	2.3
651.24609	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57330	1.0
53.03944	5.3
55.05515	15.6
57.99591	1.1
59.05009	1.7
64.81880	1.2
65.03935	1.5
67.05506	30.4
69.07072	13.5
70.33359	1.4
70.89980	2.2
72.59032	1.4
73.92841	1.2
79.05493	51.3
81.07056	32.8
83.05019	1.9
83.08618	7.0
85.06538	2.6
91.05485	22.9
93.07047	72.0
95.04972	4.8
95.08609	24.6
97.06525	4.0
97.10155	5.5
105.04533	3.0
105.07036	15.7
107.04935	1.7
107.08593	38.0
109.06516	2.6
109.10157	14.7
111.08046	1.4
115.07578	1.2
117.07024	5.2
119.08582	14.6
121.10147	34.8
123.08063	2.5
123.11731	2.1
125.09702	1.7
128.06232	1.5
129.07005	3.0
131.08530	7.0
133.10130	15.8
135.11690	47.0
139.11226	1.7
143.08522	2.4
145.10138	6.4
147.11659	9.8
149.09653	2.8
149.13260	25.0
151.11205	3.4
157.10117	1.6
159.11694	7.9
161.13240	6.7
163.11205	4.2
163.14804	8.0
171.11699	3.4
173.13275	5.2
175.14827	4.7
177.12773	2.7
184.07320	3.5
185.13245	4.4
189.12909	1.3
195.13715	2.8
199.14784	1.9
202.30243	1.2
209.15434	3.3
213.16443	2.5
217.19470	1.2
221.15416	1.6
227.16457	1.8
231.17413	1.5
235.16989	2.0
241.19539	6.8
249.18434	2.0
259.20590	10.4
275.20093	4.5
289.21533	1.3
291.23181	100.0
307.22501	2.9
336.13947	1.2
399.96216	1.1
401.12112	1.3
467.66708	1.4
650.30072	2.0
650.42749	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	8.5
53.70470	2.9
55.01861	13.8
55.05513	44.4
56.05025	7.1
57.03429	7.2
65.03928	5.8
67.05505	100.0
68.05031	22.4
69.03413	12.9
69.07066	94.2
71.01337	12.0
71.04977	5.3
71.56428	2.7
79.05494	59.9
81.03423	19.6
81.06593	5.1
81.07056	86.5
83.04964	11.6
83.08606	21.7
85.06525	4.9
86.09670	4.1
91.05487	63.3
93.06501	3.8
93.07056	68.7
94.07835	3.4
95.04969	28.8
95.08605	67.8
97.02871	4.1
97.06535	23.3
97.10174	25.8
99.08074	4.5
103.05493	3.8
105.04484	3.9
105.07030	45.6
107.04932	11.4
107.08601	41.5
109.06507	10.3
109.10168	25.4
111.08057	7.6
117.07005	17.9
119.08578	41.3
121.06472	8.0
121.10148	30.0
123.08057	16.8
123.11698	3.3
125.00028	3.4
125.09638	20.1
128.06267	4.0
129.06973	8.8
130.07796	3.3
131.08582	24.4
133.10129	33.6
135.08040	8.1
135.11673	20.5
137.09628	19.2
139.11169	4.1
141.07039	3.4
143.08525	9.6
145.10083	18.2
147.11693	16.1
149.09624	25.0
149.13214	5.0
151.11211	3.7
155.08438	3.5
157.10101	9.2
159.08003	3.8
159.11685	13.5
161.09531	4.1
161.13232	10.1
163.11186	9.6
167.10687	4.3
169.10100	5.2
171.11679	8.4
173.11749	5.2
173.13199	6.3
175.11165	4.9
177.12665	5.4
181.12250	7.2
184.07361	8.3
184.13364	20.5
185.13319	4.8
187.11217	4.4
195.13690	3.9
199.13197	7.5
203.12683	4.2
223.13231	4.9
226.18018	3.7
236.03448	3.0
247.20593	3.7
257.18967	5.8
275.20053	41.0
289.21469	6.6
291.19540	15.5
293.21201	4.9
307.22757	5.1
475.89749	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	650.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.5
55.01870	2.0
55.05517	19.1
57.07058	3.3
59.04966	1.6
59.80312	1.4
65.03931	2.3
67.05507	42.1
69.07067	17.2
71.20666	2.7
77.03888	1.5
77.17013	1.7
79.05492	63.3
80.52455	1.7
81.03410	2.0
81.06592	2.8
81.07054	47.1
83.04974	2.9
83.08616	7.5
85.06518	3.4
86.09690	1.8
91.05477	27.2
93.07046	100.0
95.04961	6.2
95.08607	34.2
97.06514	3.3
97.10146	6.3
99.08080	3.5
105.07024	20.3
107.08595	47.8
109.06522	3.2
109.10159	13.4
111.08109	2.7
117.07007	8.0
119.08574	19.0
121.10148	45.6
123.11713	4.5
125.09611	3.6
129.06975	3.3
131.08589	7.8
133.10135	21.0
135.08035	3.8
135.10687	3.1
135.11687	46.3
137.09579	2.0
143.08572	3.0
145.10103	7.9
147.11667	12.8
149.09578	3.5
149.13261	27.3
149.92368	1.5
151.11121	2.5
157.10123	3.1
159.11688	9.4
161.13232	10.2
163.11201	3.9
163.14847	7.5
171.11713	5.4
173.13229	5.7
175.14755	5.0
177.12813	2.9
181.50351	1.5
184.07333	6.2
185.13199	3.6
189.12675	2.3
195.13760	5.2
199.14799	2.9
203.14333	2.3
209.15347	2.5
213.14742	2.3
213.16522	2.3
217.19542	1.7
227.16426	6.6
231.17468	2.3
235.16969	3.2
241.19562	7.0
249.18504	3.3
259.20624	10.1
275.20059	6.8
277.21527	1.7
289.21658	2.4
291.23184	94.1
292.23471	1.6
307.22702	3.3
397.88559	1.6
479.21320	1.5
528.23505	1.7
590.28094	2.2
650.29242	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	650.439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41654	0.1
55.05502	0.3
56.05024	0.5
57.07074	0.2
57.23790	0.1
58.06359	0.2
58.06625	0.4
60.08168	6.2
60.08475	0.3
65.51968	0.1
67.05502	0.7
69.40552	0.4
69.40977	0.5
70.06579	0.1
71.07375	3.2
71.08640	0.2
79.05474	0.3
81.07045	0.4
86.09711	30.1
91.05500	0.3
92.27710	0.1
93.07040	0.2
95.08638	0.2
95.47740	0.1
98.98468	3.0
104.10749	2.1
109.10160	0.4
119.08572	0.2
125.00011	19.9
133.10129	0.2
148.48805	0.1
183.01993	0.1
184.07349	100.0
185.07706	0.3
191.52592	0.2
209.56732	0.1
230.38228	0.1
237.70819	0.2
265.69748	0.1
271.86932	0.1
275.20221	0.2
291.19400	0.2
305.21118	0.2
394.20322	0.2
496.33820	0.2
612.27643	0.1
650.43970	9.1
651.43970	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.2
55.01884	0.4
55.05518	1.1
56.05037	0.7
57.07065	0.3
58.06605	0.3
60.08168	5.7
67.05513	1.8
67.22380	0.2
69.07066	0.8
69.12813	0.2
69.63022	0.9
71.05004	0.2
71.07378	3.1
79.05503	1.5
81.03406	0.2
81.07062	2.0
83.04996	0.4
83.08627	0.7
86.09711	29.1
91.05476	1.0
93.07043	1.2
95.04973	0.8
95.08604	1.1
97.06554	0.4
97.10177	0.8
98.21484	0.3
98.98463	2.7
104.10748	2.2
105.07041	1.4
107.04978	0.4
107.08592	1.1
109.06548	0.4
109.10143	1.3
111.08099	0.2
113.65891	0.2
117.07028	0.6
119.08590	1.3
120.76939	0.2
121.06512	0.3
121.10143	0.8
123.08083	0.3
125.00010	19.2
125.09635	0.7
129.07042	0.3
131.08598	0.7
133.10132	0.6
135.08034	0.4
135.11726	0.4
138.14020	0.2
143.01074	0.2
145.10153	0.8
147.08061	0.4
147.11716	0.3
149.09648	0.4
149.13225	0.2
157.10158	0.3
159.11752	0.6
161.09660	0.3
163.11185	0.3
167.10693	0.2
177.12767	0.2
183.11644	0.2
184.07349	100.0
185.07712	0.2
185.13240	0.2
189.11259	0.2
203.12820	0.4
221.15292	0.2
223.13161	0.2
239.18027	0.2
273.18661	0.7
275.20038	1.4
277.98523	0.2
291.19449	1.5
293.21259	0.2
305.21118	1.4
307.22870	0.2
496.34302	0.2
650.43970	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	649.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.9
55.01863	6.1
55.05514	30.5
57.03436	12.7
57.07067	5.3
59.04978	4.2
61.02919	5.4
65.03921	4.6
67.05508	97.1
69.03439	26.4
69.07071	18.1
71.01346	1.6
71.04980	7.3
71.08627	1.8
71.56724	2.6
72.84470	1.4
73.02909	5.5
79.05067	3.3
79.05499	43.1
81.03419	35.1
81.07059	48.5
83.04974	13.0
83.08628	19.1
85.02905	14.6
85.06532	7.2
87.04426	1.9
91.03962	4.9
91.05485	43.5
93.07047	44.1
95.04968	10.0
95.08610	32.5
97.02900	17.7
97.06516	5.1
97.10165	16.1
97.67005	1.9
99.04446	5.7
101.02403	2.3
103.05440	2.8
105.07037	41.2
107.04936	3.0
107.08610	30.4
109.02873	5.4
109.06516	7.9
109.10163	53.2
111.04449	5.5
111.08074	6.0
112.11224	1.8
115.05478	3.7
117.07014	21.4
119.08578	40.6
121.06519	4.1
121.10144	17.7
123.08057	5.7
123.11717	5.1
125.05996	2.5
125.09637	13.0
127.03920	11.6
128.06195	4.3
129.05478	4.9
129.07008	16.2
130.07747	2.7
131.08565	28.8
133.06517	4.3
133.10143	23.3
135.08064	7.9
135.11703	10.7
137.05974	4.3
137.09674	2.0
139.11206	2.3
141.06982	6.0
142.07745	2.6
143.08542	18.5
144.09160	2.0
145.06502	4.3
145.10139	28.9
147.08044	5.5
147.11703	18.7
149.09683	3.7
149.13300	5.9
151.07536	4.4
153.09129	3.0
154.07780	3.4
155.08611	10.9
155.10622	3.7
156.09364	3.3
157.10133	18.4
159.08073	4.9
159.11711	19.5
161.09612	4.2
161.13272	10.6
163.11217	3.9
163.14909	2.5
165.12883	2.0
166.07770	1.9
167.08527	7.1
169.10103	10.0
171.07994	4.1
171.11697	18.6
173.11719	9.2
173.13246	12.0
175.11208	3.1
175.14842	6.6
177.12799	1.9
179.08638	4.0
181.10112	7.0
183.08113	2.3
183.11703	10.3
185.09583	2.2
185.13268	11.4
187.11171	3.2
187.14833	4.7
189.11206	12.3
189.12698	3.6
191.14328	2.2
193.10205	2.0
193.12489	2.0
195.11678	6.4
197.13275	7.7
199.11172	3.3
199.14819	6.7
201.12708	2.2
203.14340	2.2
205.10205	2.3
207.11766	3.0
207.13702	2.2
209.13287	3.1
211.11214	3.3
211.14857	4.5
213.12801	1.9
213.16275	2.6
215.14285	1.7
221.13249	2.4
223.11218	2.0
223.14882	3.4
225.12817	2.6
227.10808	2.2
227.12617	9.5
229.14330	21.8
235.14851	2.7
237.12614	2.3
241.19472	6.4
243.13582	1.9
243.21039	3.1
245.13849	7.1
255.17439	1.9
257.19028	3.7
259.20532	16.1
261.22137	6.0
269.19040	2.0
271.20618	4.1
283.20523	2.3
285.22031	3.6
295.20502	2.1
297.22116	2.3
299.20053	2.4
301.21680	7.9
307.20532	2.6
313.21716	2.2
315.23145	2.5
317.24734	2.3
321.22247	2.0
323.23663	2.1
325.21420	2.2
333.24380	16.2
335.25723	4.7
339.23157	2.1
343.22696	3.2
349.21619	4.6
351.23334	5.3
367.22739	9.5
369.24249	4.9
371.16986	2.3
373.18576	7.5
385.23651	6.4
387.25168	2.8
395.29337	4.4
425.26956	2.1
441.26202	3.5
459.27448	3.1
485.32913	2.3
487.34174	56.1
501.35107	3.0
503.33890	2.5
529.35614	4.5
533.34235	2.2
541.35193	2.4
553.35107	2.3
557.34534	2.4
565.03394	2.0
571.36328	2.2
577.34229	2.5
583.36395	3.6
595.36383	16.4
613.37286	18.8
617.23785	10.1
631.38348	30.3
649.26007	100.0
649.39020	30.1
650.26166	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	649.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.3
53.03943	14.3
55.01862	7.2
55.05514	26.5
56.96553	2.4
57.03444	11.6
60.29776	1.8
61.02899	4.1
65.03929	6.8
67.05506	67.9
69.03430	21.6
69.07070	15.4
71.04997	9.2
73.02895	3.4
73.06564	1.8
79.05496	97.5
81.03421	41.5
81.06586	3.6
81.07059	68.4
83.04981	23.5
83.08624	13.6
85.02908	15.6
85.06534	5.3
91.03957	2.7
91.05483	100.0
93.07047	95.0
95.04974	32.8
95.08608	39.1
97.02912	12.0
97.06518	9.4
97.10179	5.5
99.04437	5.7
99.08074	2.3
102.53240	2.1
103.05470	4.1
105.04558	4.0
105.07036	65.2
107.04971	15.0
107.08601	31.8
109.02864	6.7
109.06531	12.9
109.10161	11.4
111.08082	5.2
115.05440	7.0
117.07021	30.2
119.08589	41.8
121.06500	5.9
121.10145	10.9
123.04410	4.5
123.08051	10.9
123.11659	2.3
125.00002	2.4
125.09628	2.2
127.03897	8.3
127.07566	2.5
128.06229	8.4
129.05515	3.0
129.07008	41.2
131.04901	4.6
131.08568	23.2
133.06493	8.5
133.10139	19.7
135.08038	6.6
135.11693	5.9
137.05972	2.7
137.09608	2.4
141.06967	7.5
142.07768	3.6
143.08553	20.7
145.06500	11.1
145.10139	24.2
147.08029	9.9
147.11688	41.1
149.05997	2.4
149.09648	3.7
149.13260	2.1
154.07756	2.2
155.08580	6.4
156.09390	3.3
157.06534	5.1
157.10144	9.4
159.08072	6.9
159.11674	6.7
161.09634	6.8
161.13281	17.3
163.11229	3.4
165.07002	2.1
167.08595	5.3
167.10674	2.7
169.10120	7.0
171.08089	5.7
171.11699	38.7
173.04488	14.4
173.09636	4.8
173.13290	4.1
175.07512	2.0
175.11218	2.6
175.14833	2.1
177.12743	3.8
179.08565	3.2
179.14288	1.9
181.10150	3.2
181.12244	2.4
182.51395	1.6
183.08058	1.9
183.11678	4.6
184.07347	7.0
185.09665	4.9
185.13255	6.2
187.11229	2.8
187.14999	1.8
189.12738	18.7
191.14401	2.3
197.09575	2.5
197.13289	3.3
207.11913	2.5
207.13844	34.1
209.13261	4.1
213.12498	2.0
221.15346	5.4
223.14836	6.5
225.12825	2.5
225.14883	5.5
227.14261	3.7
233.15408	2.5
241.15884	6.1
245.15379	2.7
251.14305	5.0
269.15417	11.6
275.19937	2.2
281.17484	64.3
287.16434	14.9
305.17429	3.0
315.15909	2.8
333.16705	2.7
351.18170	3.0
361.20093	3.1
425.21921	9.0
454.14813	2.0
483.21948	8.4
487.30493	48.0
501.32230	5.2
529.31274	3.1
549.32288	3.0
567.33380	8.6
585.33832	2.8
631.34686	7.3
649.35077	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	649.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
56.96555	0.5
67.60756	0.2
69.03435	0.4
69.07043	0.7
70.06577	0.9
71.56210	0.3
72.08121	0.4
76.86944	0.2
79.05508	0.5
81.03416	0.4
81.07052	0.5
84.08128	0.4
85.02914	0.8
86.09712	0.4
87.04475	0.3
91.03938	0.4
91.05449	0.4
97.02910	0.5
97.06535	2.1
98.06859	0.4
98.97604	0.5
99.08147	0.4
100.70284	0.2
103.30543	0.3
105.65826	0.3
107.08612	0.4
115.07570	0.3
115.64629	0.3
120.08070	0.5
125.77622	0.2
137.05978	1.6
138.06406	0.3
148.11267	0.3
149.01297	0.3
171.06718	0.4
174.96399	0.3
185.04289	0.6
192.02393	0.2
193.12170	0.3
203.05244	1.4
233.11780	1.0
234.12167	0.5
250.14430	0.7
259.07925	1.5
264.16064	0.5
265.16342	0.6
269.12506	1.0
307.18701	0.3
325.16211	1.9
335.61804	0.3
347.09610	1.1
365.10562	2.8
421.13223	1.2
425.18097	0.3
431.17932	0.3
487.21536	24.4
649.26788	100.0
650.16809	0.3
650.26984	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3021
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
50.91349	0.3
55.05515	0.8
57.07104	0.4
59.06119	0.3
67.05502	1.1
69.07065	0.8
70.74072	0.7
70.74408	0.4
79.05492	1.0
81.07049	1.1
90.91220	0.4
91.05470	0.9
93.07066	1.0
95.04955	0.5
95.08611	1.4
97.06519	0.3
97.10218	0.5
105.07041	0.8
107.08604	0.7
109.06492	0.5
109.10174	0.4
117.07121	0.3
119.08572	1.2
121.10162	0.8
123.11706	0.3
125.09682	0.3
131.08612	0.6
133.10179	0.7
135.11720	0.6
140.00128	0.3
143.08594	0.3
145.10136	0.6
154.98535	0.3
159.11702	0.5
169.10120	0.3
171.11705	0.4
185.13364	0.5
384.28619	0.4
401.17542	0.6
402.18430	0.5
403.19223	0.7
404.20081	0.7
405.20816	0.8
415.19659	0.8
416.20306	0.8
417.21078	2.9
418.21738	0.5
419.22433	1.0
430.17609	0.9
431.18036	3.8
432.18713	0.7
432.23663	0.6
433.24448	2.3
443.18695	0.7
444.14221	0.4
444.18851	2.1
445.20123	5.7
446.20770	2.0
447.21912	2.0
458.17203	0.6
459.22409	5.5
460.22733	3.5
461.23404	3.0
461.28769	0.4
471.21793	0.4
473.19073	5.0
474.20493	0.9
475.25082	1.1
477.23013	0.4
487.20520	2.7
488.21988	0.8
489.23065	1.2
501.23367	0.9
502.23810	2.8
503.24524	5.7
515.24487	1.0
517.22662	0.5
519.24225	1.2
529.26068	0.7
531.23938	0.9
533.22504	0.6
546.26263	1.1
547.27167	11.5
559.23529	0.6
561.24695	3.0
574.25555	0.5
575.26471	0.6
589.28137	22.5
590.28271	0.5
605.24243	0.7
606.27985	0.4
607.29175	2.7
620.26318	0.6
648.51599	0.4
649.30212	100.0
650.30701	1.8
671.88928	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.05499	1.2
56.96566	21.6
57.03423	1.1
61.02919	0.7
67.05509	2.4
69.03419	1.3
69.07059	1.2
71.04986	0.4
71.56961	0.6
71.95248	1.5
72.96065	0.6
73.02918	0.9
79.05483	1.9
81.03413	1.1
81.07068	2.3
84.96034	17.5
85.02901	2.0
86.09691	0.9
91.05486	1.5
93.07029	1.4
95.05013	0.7
95.08614	1.4
97.02890	1.3
97.06548	1.2
98.97583	17.2
102.97075	1.5
104.10759	0.7
105.07040	2.0
107.08578	1.5
109.02879	0.5
109.06529	0.4
109.10171	0.8
110.97566	4.1
112.99133	2.6
116.98628	7.0
117.07010	0.8
119.08583	1.4
121.10150	1.1
123.08061	0.5
124.99115	5.9
124.99959	0.7
126.97072	0.8
128.98613	3.6
131.00153	2.6
131.08510	0.7
133.10132	1.2
134.99664	1.4
135.08073	0.6
135.11652	0.6
136.99120	1.4
137.05911	0.8
139.00684	1.2
140.00162	0.8
140.98607	3.8
143.00171	12.4
144.98077	5.2
145.10100	0.8
146.99638	2.3
147.11685	0.5
149.01262	2.9
149.13255	0.6
151.07561	0.9
152.00182	0.5
155.00175	2.5
157.01787	1.3
158.99701	2.5
161.01237	7.5
161.09604	0.6
162.93779	0.6
162.99173	3.7
164.07066	0.6
164.98518	1.0
166.01767	0.8
167.02296	0.5
167.10635	0.8
169.01646	0.5
170.99713	1.0
171.03328	1.0
172.94270	0.7
173.01204	2.9
175.02835	1.0
177.00714	1.3
179.02266	1.1
180.94804	3.6
182.99675	8.2
184.02786	0.6
184.07385	0.6
185.01251	1.1
185.04842	1.4
186.00980	0.5
189.00606	0.6
190.95407	0.9
191.02286	1.1
198.95802	4.7
199.06442	2.8
201.00716	9.4
203.02332	0.7
203.05998	1.4
210.95789	0.8
211.06462	1.1
212.97426	0.8
213.07967	2.6
216.96930	0.8
217.07457	3.2
219.01823	1.5
221.08694	0.5
222.95917	1.2
224.02307	0.8
224.97493	2.0
225.07996	1.4
227.09595	0.6
228.96931	1.0
229.07480	1.1
231.07021	0.6
231.09081	2.0
236.97424	0.7
237.08067	2.0
239.09615	1.6
240.96843	3.8
242.98508	1.6
243.09079	1.1
245.10516	0.7
246.95879	6.4
246.98145	0.7
249.08122	1.5
251.09503	6.5
253.11189	0.5
255.09058	12.0
255.11638	1.0
257.10818	0.7
258.97977	1.1
262.08701	0.6
264.96893	13.7
264.99643	0.9
267.09052	11.7
269.10605	31.7
273.10028	5.3
278.10733	1.4
279.09036	0.6
281.10480	1.0
282.97952	17.3
285.10074	11.9
287.05582	0.9
287.11652	8.7
287.98569	1.5
290.10614	0.7
292.12231	3.0
296.99475	0.7
297.10202	0.7
300.99048	8.9
303.11340	0.6
305.99573	1.3
308.11734	0.7
311.11728	1.7
324.00595	0.9
325.12930	2.7
331.15790	8.9
339.00623	0.5
341.12875	0.7
348.15698	0.7
349.16840	13.7
350.17184	0.6
357.01810	2.2
367.18057	2.4
372.18542	1.5
375.02808	0.6
375.16623	1.3
375.66885	2.1
376.16733	0.7
383.11279	1.3
401.12311	2.9
405.19891	0.6
411.02582	0.7
423.09747	0.7
423.21155	0.7
491.12692	0.5
511.12149	0.7
533.13788	0.7
537.13080	8.4
551.14703	31.6
567.14111	8.2
568.25226	1.3
631.20807	6.3
649.21997	100.0
650.22449	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01863	1.0
55.05278	0.3
55.05512	3.8
55.82174	0.3
57.03440	3.6
61.02929	6.5
67.05505	4.9
69.03429	2.3
69.07069	2.5
69.48741	2.1
69.63616	0.3
70.06572	0.6
71.05002	1.5
73.02921	2.9
79.05070	0.5
79.05496	6.9
81.03419	26.2
81.06593	0.4
81.07058	7.3
83.04987	5.2
83.08151	0.5
83.08621	9.3
84.08115	0.5
85.02905	13.7
85.06535	0.7
86.09718	0.3
91.03412	0.4
91.03960	6.1
91.05485	7.9
93.07043	4.8
95.04967	10.5
95.08607	2.3
97.02896	5.4
97.06529	2.6
97.10148	1.2
99.04465	0.5
99.08084	0.4
101.02372	0.3
105.04522	0.3
105.07029	6.6
107.04957	2.5
107.08586	2.5
109.02834	0.5
109.06505	1.7
109.10132	0.9
111.04435	1.0
111.07293	0.3
111.08079	5.7
113.05984	0.7
115.03925	0.5
115.05439	0.5
117.06987	0.5
119.07803	0.5
119.08583	6.6
121.06508	0.9
121.10132	3.1
123.08067	1.2
123.11700	0.8
125.09550	0.5
127.03918	2.5
129.06987	3.0
131.08580	4.6
133.06461	1.4
133.10127	4.6
135.11665	0.3
137.05974	1.4
137.09604	0.9
137.13206	0.3
142.07799	0.9
145.04974	3.5
145.10126	0.5
147.08015	0.9
147.11685	6.1
149.09631	2.5
151.11232	0.5
157.10132	6.5
163.06029	4.8
163.11136	0.5
165.12730	1.7
175.11182	7.3
176.57013	0.3
189.09264	0.4
191.06953	0.3
193.12242	29.5
194.12534	0.4
206.11920	0.3
211.13295	24.7
229.14299	0.9
233.11682	0.9
246.14952	0.5
250.14275	0.5
264.15875	1.5
267.15924	17.3
267.98767	0.3
270.72623	0.3
285.16962	100.0
286.17316	1.1
303.18106	1.4
344.18472	0.5
411.20041	0.6
429.21280	1.5
482.24036	0.4
534.45233	0.4
612.30109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65554	0.3
51.65794	0.3
53.03943	1.0
55.01860	1.0
55.05266	0.4
55.05510	3.6
57.03437	4.7
59.04992	0.3
61.02924	4.7
65.03928	0.7
67.05177	0.6
67.05506	6.9
69.03428	2.4
69.07069	4.2
69.58258	2.2
70.06586	0.9
71.04978	1.4
73.02929	1.8
79.05064	0.6
79.05489	6.9
79.87148	0.3
81.03417	20.5
81.07060	7.8
83.04981	4.3
83.08620	8.3
84.08138	0.7
85.02907	11.7
85.06520	0.6
87.04485	0.4
87.56381	0.3
91.03956	4.8
91.05475	10.2
93.07040	4.6
93.60906	0.3
95.04966	7.8
95.08589	2.0
97.02898	3.8
97.06535	15.2
97.10154	1.0
98.21455	0.7
98.97614	0.4
99.04448	0.7
99.08083	0.9
101.02328	0.4
103.03943	0.6
105.07036	5.9
107.04967	2.7
107.08572	2.1
109.06542	1.6
109.10152	0.8
111.04451	0.5
111.08081	5.4
113.06009	0.8
115.03958	0.5
115.05402	0.6
117.07002	0.5
119.04942	1.3
119.08573	5.7
121.06480	0.8
121.10143	3.2
123.04434	0.3
123.08067	1.1
123.11690	1.1
125.09594	0.6
127.03924	1.7
128.06184	0.4
129.07005	3.8
129.09132	0.4
131.08557	3.7
133.06483	1.2
133.10129	3.3
135.08073	0.5
137.04936	0.4
137.05972	11.9
137.09601	0.6
142.07755	0.9
145.04959	2.3
145.10100	0.7
145.55420	0.3
147.04405	1.3
147.08044	0.9
147.11688	5.7
148.05180	1.0
149.05960	0.6
149.09621	2.3
151.07542	0.4
157.10110	5.0
161.06004	0.7
161.09662	0.4
163.06032	3.2
163.07449	0.6
163.11153	0.4
164.07111	0.8
165.12740	1.5
175.07471	0.4
175.11177	6.1
177.09090	3.5
189.09090	3.0
193.12241	22.7
194.76459	0.3
203.10649	0.5
206.11768	2.4
211.13289	15.3
215.10770	0.4
223.49921	0.3
229.14407	0.6
233.11716	9.9
250.14392	4.4
264.15942	27.7
265.14355	0.7
267.15927	7.9
282.16925	0.9
285.16959	100.0
286.17346	0.8
344.18536	0.6
411.20007	0.8
418.22330	0.6
429.21210	2.2
429.33630	0.4
447.22272	3.2
456.40839	0.4
577.85626	0.3
612.30615	1.7
644.28857	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01868	1.4
55.05512	5.1
57.03436	4.1
59.04998	0.4
61.02649	0.6
61.02931	8.5
67.05170	0.6
67.05502	6.9
69.03438	2.8
69.07071	3.1
69.54532	2.6
70.06577	1.0
71.05001	1.9
73.02923	3.0
77.03285	0.4
79.05067	0.5
79.05495	7.2
81.03420	31.4
81.07056	10.0
83.04980	5.8
83.08148	0.6
83.08620	11.7
85.02908	17.9
85.06516	0.6
91.03410	0.6
91.03960	8.2
91.05480	10.7
93.07045	5.5
95.04972	10.5
95.08617	3.4
97.02894	6.4
97.06531	2.8
97.10160	1.2
99.04466	0.6
99.08111	0.8
105.07032	7.3
107.04963	2.6
107.08602	2.5
109.02861	0.7
109.06499	1.8
109.10132	1.4
110.97600	0.5
111.04403	1.0
111.08085	6.2
113.05991	0.8
115.03928	0.6
115.05418	0.6
117.06983	0.8
119.08579	7.7
119.36809	0.4
121.06465	0.9
121.10130	3.8
123.08065	0.9
123.11700	0.9
125.09602	0.7
127.03902	2.5
129.06992	4.4
129.10191	0.4
131.08577	5.5
133.06473	1.5
133.10138	5.3
135.08075	0.6
137.05975	2.3
142.07785	0.9
145.04948	3.5
145.10143	0.7
147.08044	1.3
147.11688	8.4
149.09607	3.1
157.10132	6.6
163.06046	5.7
163.07431	0.8
163.11151	0.7
163.16147	0.4
165.12730	2.0
175.11197	7.2
189.09109	0.7
193.12247	35.9
207.10126	0.6
211.13298	28.4
229.14359	1.4
233.11702	1.5
246.15004	0.5
250.14384	0.6
264.15924	2.0
267.15933	16.7
285.16965	100.0
286.17377	0.6
303.17990	1.5
335.57062	0.4
411.20212	0.4
418.21976	0.5
429.21078	1.4
432.03806	0.4
447.22192	0.8
482.23779	0.6
600.33093	0.4
612.29987	0.5
644.29865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
55.01862	7.3
55.05510	31.5
56.96551	2.5
57.03443	9.7
57.07070	5.3
63.19589	1.6
65.03951	4.6
67.05506	83.7
69.03432	4.4
69.07068	32.1
71.04990	5.9
71.08611	2.4
71.43965	1.7
71.56534	3.2
73.02902	1.8
75.04417	1.7
79.05495	59.8
81.03416	3.9
81.07057	100.0
83.04965	8.8
83.08614	16.8
85.06537	5.2
86.09704	2.7
91.03951	1.8
91.05479	69.3
93.07043	64.0
94.07357	2.3
95.04961	9.2
95.08607	55.4
97.02866	2.3
97.06530	14.1
97.10189	9.0
99.08071	3.8
103.05495	1.8
105.07034	73.3
107.04990	8.4
107.07875	2.3
107.08598	39.8
108.18483	1.8
109.06518	12.8
109.10147	28.4
111.08092	6.9
113.09683	2.1
115.05488	2.7
117.07024	23.4
118.54823	1.6
119.08588	66.2
121.06549	4.4
121.10142	32.0
123.08107	9.4
123.11729	12.2
125.09632	6.3
128.06276	3.9
129.05484	2.0
129.07016	13.9
131.08571	35.1
133.06551	2.5
133.10135	48.3
135.08078	6.1
135.11670	17.9
137.09618	5.2
139.11159	3.3
141.06990	4.2
143.08566	12.0
144.09331	2.1
145.10129	33.3
147.08038	4.0
147.11682	50.6
147.12794	3.4
149.09570	9.0
149.13261	12.1
151.11195	3.8
153.01738	2.0
155.08539	4.5
156.09303	1.7
157.10124	17.8
159.08076	2.6
159.11664	23.6
161.09651	2.4
161.13243	25.1
163.11183	6.6
163.14848	5.9
165.12746	6.9
167.08598	3.1
167.10695	2.1
169.10164	8.5
171.11676	15.2
173.09525	1.6
173.11844	2.1
173.13243	17.9
175.11159	5.2
175.14830	12.9
177.12671	3.1
181.10197	2.0
183.11777	7.7
184.07323	4.2
185.13310	8.5
187.11171	2.4
187.14851	7.6
189.11311	2.2
189.12840	2.1
189.16296	2.6
195.11697	2.4
197.13210	6.6
199.14835	8.1
201.16339	2.1
203.14296	1.8
209.13300	2.9
211.14835	3.6
213.16283	2.5
215.17926	1.8
217.15952	1.8
225.16525	2.0
227.17917	2.8
229.14236	2.7
229.19554	3.3
231.21146	4.8
239.17860	3.6
241.19524	25.7
247.20609	3.5
257.18954	9.6
259.20566	50.9
261.22211	3.3
275.20074	46.2
277.21640	4.7
289.21814	2.1
291.19550	4.3
293.21036	9.0
302.17496	1.9
309.20264	2.2
313.21420	1.8
315.23206	6.3
331.22635	3.1
333.24255	55.7
335.25909	7.6
347.22519	1.6
349.23828	9.4
351.25302	5.8
365.23282	3.5
367.24725	29.6
513.35675	2.5
515.37726	7.1
527.37390	2.6
533.39832	4.4
545.38184	4.6
551.40869	6.3
558.76984	1.8
567.40759	1.7
593.24133	3.6
607.43402	17.9
611.21820	1.9
625.34735	3.0
625.44580	34.2
643.24164	3.7
643.46594	12.1
644.21606	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.8
56.09789	0.5
58.99871	2.1
67.05512	1.2
67.14554	0.5
69.07051	0.9
69.76683	2.8
73.24960	0.5
77.00912	6.8
79.05498	1.9
81.07058	2.7
91.05497	1.2
93.07051	1.1
95.01932	2.6
95.08623	1.0
105.07020	0.9
107.97927	0.5
109.10173	1.2
119.08601	0.6
129.04013	0.7
129.07083	0.5
131.01884	0.6
131.08614	0.6
141.03976	1.2
145.03558	0.9
145.10098	0.9
153.04031	1.4
155.05577	1.3
157.03481	1.1
159.05092	0.9
167.05550	0.8
169.07109	2.7
171.05084	1.5
173.06653	2.3
179.09155	0.8
181.07181	1.7
183.08676	4.7
183.83470	0.5
185.06651	1.7
187.08192	3.6
191.07700	0.8
193.07303	0.7
195.08760	2.2
197.10248	3.0
199.08119	1.2
201.09729	11.8
201.11485	0.9
203.09306	0.9
205.09221	0.8
207.05037	1.3
207.08679	1.0
207.12465	0.6
209.10213	2.6
211.08157	0.8
213.09813	2.2
215.09238	1.4
215.11359	5.4
217.10977	0.6
219.10739	3.7
221.06671	2.2
221.10280	1.9
223.11801	4.0
224.11353	0.6
225.09697	0.7
225.13446	1.7
227.11255	3.2
229.12885	0.9
231.08774	0.7
233.10193	2.8
235.11850	1.4
237.13261	1.1
239.11287	10.6
239.13455	0.8
241.12897	4.4
243.14543	2.6
245.10181	0.7
245.12335	0.6
247.11766	1.5
249.09795	2.9
249.13498	1.1
251.11284	20.2
252.11861	0.7
253.12859	13.0
253.15311	0.8
255.14568	0.9
257.12314	13.3
261.13348	0.8
262.12912	1.3
263.11392	4.4
263.15018	0.6
264.11942	1.2
265.12900	1.5
267.10831	6.9
269.12347	30.2
271.13837	5.3
273.13364	0.9
273.17111	0.9
274.12955	2.2
275.15009	2.0
276.14612	1.0
277.12866	0.6
281.12378	1.6
291.14459	1.6
291.18085	2.9
292.14050	1.6
293.16150	1.3
297.17105	1.8
297.97781	0.6
309.15652	1.7
313.16635	1.4
315.18042	15.5
333.20175	100.0
334.19717	1.5
338.19925	0.6
351.20157	54.9
352.20419	1.0
356.20737	3.0
374.21671	5.4
407.22662	0.8
433.24557	2.1
447.25861	10.4
527.32300	2.1
545.33246	4.5
625.39825	0.7
643.40643	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	643.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.05500	0.9
57.03441	0.6
58.99846	1.8
60.59645	0.4
61.02916	0.8
67.05487	1.6
69.07078	2.5
69.26238	4.0
77.00512	0.5
77.00909	7.0
79.05484	3.5
81.03412	0.5
81.07032	1.8
82.63704	0.4
83.04950	0.6
83.08627	0.5
85.02885	0.8
91.03943	0.8
91.04991	0.4
91.05483	2.9
93.07022	1.6
93.07578	0.4
95.01949	4.0
95.04940	0.6
95.08575	1.2
97.02872	0.8
97.06499	0.7
100.02435	0.4
103.02407	0.4
104.83546	0.4
105.07007	3.1
107.08557	1.7
109.10141	1.0
117.06980	0.9
119.08562	1.3
121.10114	0.7
131.01822	0.7
131.08516	1.4
133.10066	1.1
143.08513	0.5
145.10049	1.2
149.13205	0.5
155.05467	1.0
157.03435	0.9
157.10236	0.5
159.04982	0.5
159.11670	0.5
161.06627	0.7
163.11249	0.4
164.45461	0.5
167.05513	0.5
171.04962	0.9
173.06601	0.4
179.09132	1.1
181.07024	0.4
183.08627	1.8
184.07323	0.5
187.08092	1.4
191.07574	0.8
193.10687	0.5
195.08554	0.5
197.10161	0.9
199.08090	1.0
199.11601	0.4
201.07826	0.7
201.09698	8.7
201.11469	0.8
203.09282	0.7
205.09109	0.5
205.10805	0.7
207.04979	1.8
209.10168	1.3
211.08133	0.6
213.09715	2.0
215.11232	2.6
217.10701	1.8
219.10634	2.8
221.06509	1.0
221.10179	1.7
223.11781	3.0
224.11256	0.6
225.06032	0.8
225.09624	1.0
227.11250	5.0
229.07385	0.5
229.12646	0.8
231.12341	0.9
233.10237	0.6
235.11777	2.9
236.11372	0.4
237.13213	1.3
239.09068	0.8
239.11290	10.4
241.12749	2.7
243.10608	0.8
243.14442	1.2
245.12241	3.7
247.11688	1.0
249.13344	1.1
253.12866	3.4
255.14330	1.1
257.09625	0.6
257.12305	10.9
259.11700	0.8
261.13321	4.2
262.12851	1.2
263.14935	1.4
264.12027	0.8
265.12747	0.9
267.14389	1.6
271.13998	1.0
273.13196	0.5
273.16959	0.5
275.14825	1.7
277.12503	0.5
277.16428	0.7
279.14288	1.4
280.13846	0.8
281.15808	1.3
282.13144	0.7
285.16736	0.5
291.14404	0.6
291.17807	0.7
297.16895	2.0
313.16412	0.9
315.18033	31.3
333.19125	100.0
334.19409	1.3
346.69345	0.4
351.20163	50.2
352.20544	0.9
356.20697	11.0
369.20947	0.5
374.17438	0.5
374.21793	7.9
415.65442	0.4
431.56760	0.4
551.56525	0.5
553.94336	0.4
574.64709	0.5
601.44604	0.4
607.37970	1.8
625.39392	2.2
643.23566	0.8
643.41284	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	643.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.6
56.96570	0.5
57.03413	0.5
58.99862	1.6
61.02906	0.5
67.05505	1.4
68.74232	0.4
69.03426	0.6
69.07069	4.4
71.56996	0.6
73.77815	0.3
74.23885	0.3
77.00910	6.5
79.05499	3.6
81.07069	2.2
83.08627	0.6
85.02913	0.7
88.11134	0.4
91.05488	1.4
93.07040	0.9
95.01951	2.8
95.04956	0.5
95.08604	1.1
97.02888	0.6
97.10179	1.0
100.02505	0.5
104.19792	0.4
105.07017	1.5
107.08633	1.9
109.10152	0.8
113.39054	0.4
117.03992	0.5
117.07050	0.6
119.08597	1.0
121.10119	0.7
126.78123	0.3
129.04016	0.6
131.01907	1.2
131.08530	0.6
133.10117	0.8
135.74435	0.4
145.10153	0.7
149.03029	0.5
153.03963	0.9
155.05562	0.8
155.09134	0.5
157.03397	0.6
157.10071	0.5
159.11714	0.4
165.07669	0.8
167.05513	0.6
169.07089	0.5
171.05042	1.0
173.06726	0.9
173.10149	0.6
175.04498	0.4
175.08176	0.6
179.09245	0.4
183.05038	0.4
183.08673	5.1
185.06622	0.7
187.08192	1.5
191.11227	0.6
194.04224	0.4
195.08643	1.5
197.10210	1.0
199.08066	0.6
199.11662	0.4
201.07886	0.7
201.09720	21.3
202.09987	0.6
203.07533	0.6
203.09236	0.8
203.11151	0.5
205.09187	0.8
205.10905	0.4
207.05046	5.1
208.05766	0.6
209.06558	0.6
209.10201	2.4
211.08246	0.7
213.09709	3.4
213.13187	0.5
215.11217	2.5
217.10776	1.4
219.10764	7.3
219.14348	1.1
221.06633	1.7
221.10162	3.7
223.11839	1.7
224.11366	1.5
225.06122	1.0
225.09819	0.5
227.11296	9.2
229.09158	0.5
229.12936	0.6
231.08740	0.5
231.10826	1.6
233.10239	0.9
235.11810	3.6
237.13382	1.6
239.11290	31.1
241.12822	1.6
243.10701	0.5
243.14456	0.7
245.12352	6.2
247.11797	0.7
249.13474	1.0
250.12865	1.0
253.12823	5.4
255.14502	0.9
257.12360	32.4
258.12650	0.6
262.12921	4.5
263.11328	1.5
264.12070	3.4
265.12897	0.8
267.14243	0.8
271.13998	1.6
273.13330	0.7
275.14883	0.8
276.14432	0.6
277.12921	0.5
277.16595	0.8
280.13950	1.9
281.12396	1.5
282.13010	0.9
283.13885	0.7
287.18588	1.8
291.14404	1.1
291.18088	1.0
297.17065	0.7
303.17963	1.0
305.19623	3.2
309.15524	0.5
313.16483	1.2
315.18048	21.5
328.21442	0.6
333.19110	100.0
334.19055	1.9
338.19739	0.6
349.16763	0.7
351.20175	60.8
352.20370	0.9
356.20724	6.3
369.21152	1.7
374.17419	0.8
374.21774	10.6
375.21957	0.7
527.32037	0.6
546.24640	0.5
572.17847	0.5
607.38208	1.8
625.39185	2.6
643.41241	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	643.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	0.5
67.05423	0.9
69.06999	0.4
69.72827	0.9
69.73230	1.6
76.88918	0.4
79.05411	0.7
81.06976	1.0
81.07381	0.5
91.05379	1.0
93.06935	0.5
95.08508	0.7
96.88409	0.4
100.26815	0.4
105.06955	1.0
107.08506	0.8
116.44328	0.4
122.16946	0.4
124.38457	0.4
129.06929	0.5
139.25218	0.4
150.81795	0.4
154.65350	0.4
270.49850	0.4
396.12119	0.9
397.12799	1.8
398.13470	0.9
409.13089	0.9
410.13748	2.3
411.14539	5.2
412.15375	4.1
413.16058	2.0
423.14374	1.2
424.11343	1.6
424.15500	2.0
425.16278	12.9
426.16876	8.2
427.17612	1.7
428.18610	2.2
437.16086	1.1
438.13257	2.8
439.13513	14.3
439.18900	0.6
440.18869	4.9
441.19296	37.9
442.19257	1.2
451.18524	0.6
452.14536	3.6
453.15356	19.2
454.15997	5.1
458.15475	0.8
463.13892	0.9
464.15833	0.4
465.15747	1.0
466.12173	0.8
467.17172	28.3
468.17892	15.1
469.18903	12.7
470.19501	0.6
479.17493	0.7
480.17499	0.9
481.14810	14.8
482.15445	3.1
485.18179	1.0
494.15756	0.6
495.17001	3.3
496.17206	13.1
497.18076	2.8
499.19751	1.8
508.19098	0.8
509.18353	2.4
512.20917	1.1
513.21716	0.9
514.22076	3.0
522.17828	1.1
523.19305	1.6
527.23322	3.5
537.18768	0.7
542.21350	1.1
545.37952	0.7
555.22418	31.3
556.22357	0.6
568.19336	0.5
583.21906	100.0
584.22260	3.2
586.20477	0.6
587.25079	1.5
611.21594	1.9
614.23468	0.8
615.24500	12.7
624.44305	0.5
643.23981	81.1
644.24542	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	643.1872
Annotation	Brartemicin
Peak:m/z	Relative Intensity
53.03942	0.9
55.01862	1.8
56.50082	0.4
56.96545	0.8
57.03424	1.0
61.02927	0.8
65.03934	1.6
65.55930	0.4
67.05502	1.6
68.99795	4.8
69.03420	1.3
69.07063	0.7
70.06581	0.7
70.18540	0.8
70.18926	1.0
73.02905	0.5
79.05475	0.9
81.03418	3.7
81.07056	0.9
83.04987	0.6
85.02903	5.7
91.05472	1.8
93.03405	1.5
93.07045	0.9
95.04971	1.9
95.08628	0.5
97.02892	4.0
98.21485	0.5
98.97577	1.8
103.03938	0.7
103.05460	0.6
105.03384	0.6
105.07034	1.1
107.04963	2.4
107.08582	0.6
108.02103	1.3
109.02857	2.2
110.03650	2.9
111.04430	1.7
112.01528	0.4
115.05495	0.4
116.98615	0.9
117.07043	0.7
118.60334	0.4
119.04935	1.1
121.02853	2.3
121.06519	0.9
121.10134	0.5
123.04423	1.8
125.05994	5.4
127.03944	0.9
128.98640	0.6
131.04912	0.9
133.06525	0.5
135.04410	2.1
135.77422	0.5
137.05927	0.9
139.03909	1.6
141.05479	1.0
143.04863	0.6
145.06474	0.5
147.04393	2.6
149.02380	0.6
149.05933	2.5
151.03906	100.0
151.04982	6.3
153.01816	1.4
157.06525	0.6
158.99637	0.8
159.04414	1.2
161.05994	1.6
162.02214	0.7
163.03889	3.7
163.18385	0.5
165.01834	2.5
171.04362	0.8
173.02412	1.0
173.05905	1.0
175.03893	2.6
177.01889	2.2
177.05447	2.0
179.03462	0.8
179.04895	1.7
181.04973	0.9
183.02951	1.2
185.05974	1.1
185.26805	0.5
187.03932	2.5
189.01868	2.5
189.05478	2.0
189.09018	0.4
191.03381	2.8
191.06940	0.4
193.04970	11.8
193.12263	1.1
195.02888	5.0
199.03966	0.5
201.01904	0.7
201.05516	1.8
203.03429	2.5
203.07098	0.6
205.04999	3.2
207.02916	5.8
209.04510	0.5
209.11790	0.7
211.06076	1.5
213.01857	0.4
213.05469	1.3
215.03360	2.0
217.04965	4.5
219.03009	5.6
221.04498	0.9
223.06366	0.6
225.03891	2.5
227.03468	0.7
229.01468	0.5
229.05016	3.4
231.02881	6.3
231.06520	0.7
233.04424	2.3
235.06087	1.2
237.04112	2.0
239.02333	0.6
241.04977	1.5
243.02971	2.7
243.06496	0.9
245.04410	1.2
247.06000	3.0
249.03891	2.5
251.02411	0.9
253.04819	0.6
253.07158	1.5
255.02806	1.0
255.06650	0.4
257.04504	1.9
259.05981	3.6
261.03925	8.9
265.07352	3.1
267.15985	1.0
269.03537	1.8
271.06052	3.5
273.03958	4.5
273.06497	0.7
277.07025	1.6
279.05118	0.7
281.04370	0.5
283.05838	1.0
283.08554	3.1
283.15451	0.8
285.03973	4.2
285.17038	1.1
291.05011	4.4
295.08224	1.5
297.03943	1.4
299.05579	0.9
301.07129	2.2
301.16611	0.8
303.05069	2.6
307.08569	0.9
309.06461	0.6
311.05515	0.7
313.07013	1.2
315.04935	1.4
319.07932	1.2
321.05902	2.0
322.04984	0.5
324.06216	0.7
325.06949	3.7
327.04950	2.8
327.08362	0.5
331.07956	0.8
335.99390	0.5
337.06668	2.6
339.07364	6.5
343.08197	1.8
345.05991	2.1
349.09296	0.6
351.08585	1.1
355.08099	3.6
357.06079	1.2
361.09134	1.4
363.07199	3.6
365.10162	0.5
367.07806	3.6
369.06039	0.7
375.07150	1.8
379.08459	1.9
385.09256	2.6
387.07269	1.4
391.08026	1.2
393.08209	4.2
395.06503	6.1
397.09961	0.5
405.08209	3.2
409.09216	4.6
413.07944	0.7
417.10605	0.7
421.09006	2.5
423.09274	4.9
427.12375	1.5
433.09482	1.2
439.10245	4.5
441.10239	7.3
451.10233	2.4
457.11331	3.2
459.10956	0.8
463.10150	2.4
469.11108	3.1
475.11707	3.4
487.12326	9.9
493.11487	3.0
505.13412	4.1
511.12494	4.2
517.11053	0.7
523.12402	2.3
529.13531	2.1
535.12360	1.4
541.13336	5.7
553.13373	3.1
571.14337	3.1
589.15741	3.0
607.16174	0.9
625.17603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
53.45074	0.3
55.01864	0.7
55.05504	1.8
55.49958	0.3
57.03439	1.7
61.02917	3.4
67.05509	3.5
69.03430	1.0
69.07061	2.0
70.06593	0.6
71.05001	0.8
71.56293	0.6
73.02899	1.6
79.05490	5.7
81.03425	1.2
81.07056	4.5
83.04985	0.8
83.08623	3.0
85.02909	3.7
87.04449	0.4
91.03947	2.7
91.05472	1.3
93.07045	10.0
93.07638	0.5
95.04982	1.6
95.08608	11.2
97.02901	3.4
97.06520	2.1
97.84087	0.3
99.04460	1.5
105.07062	1.8
107.04955	2.7
107.08599	8.2
109.06524	0.8
109.10137	1.1
111.04433	0.6
111.08035	0.6
117.07003	2.5
119.08567	3.3
121.06526	1.8
121.10143	5.0
125.06001	1.3
127.03925	1.5
131.08598	0.4
133.10165	1.1
135.08058	0.9
135.11693	19.8
136.06181	0.8
137.05965	0.7
139.07559	0.4
145.04945	1.1
145.10129	10.9
153.12752	0.5
163.06177	1.9
163.11182	29.7
164.07072	0.5
173.09715	0.3
181.10754	0.6
181.12244	6.7
209.11708	1.2
227.12785	48.4
233.11739	0.5
252.59587	0.4
283.15399	100.0
283.66083	0.3
289.48944	0.3
301.16452	11.6
398.47934	0.4
445.20770	0.9
452.48340	0.4
518.33093	0.3
520.04785	0.3
541.28027	0.4
624.23505	0.8
624.51965	0.4
642.25067	2.3
655.00525	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88198	0.7
55.05501	0.9
57.81115	0.7
67.05513	2.2
68.14520	0.8
69.07066	1.2
70.86675	1.6
70.87019	1.0
79.05496	1.4
81.07064	2.7
91.05479	1.2
93.07063	2.7
95.08608	1.7
105.04536	0.7
105.07043	1.6
107.08624	1.9
109.10174	0.9
119.08559	1.2
121.10179	0.9
135.11740	1.2
187.57368	0.7
347.22171	1.9
351.21494	2.6
365.23001	52.1
523.27362	1.1
543.37457	0.9
561.39716	2.5
641.43994	100.0
642.44012	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	641.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18826	1.1
64.18756	1.1
67.05500	1.8
69.07076	1.5
70.74254	2.7
79.05501	1.3
81.07036	3.6
95.08575	1.7
105.06968	1.6
107.08588	1.2
119.08558	1.9
130.08646	1.3
133.10104	1.5
203.42334	1.4
311.92038	1.2
355.51816	1.2
363.21283	1.7
365.22989	75.3
561.39606	5.3
623.42139	1.5
641.44421	100.0
642.43951	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	641.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31773	2.0
53.03938	6.8
55.01873	31.4
55.05274	2.3
55.05513	38.7
56.96553	7.5
56.98851	2.2
57.03436	7.0
57.07073	5.9
61.02927	3.9
63.43068	2.2
65.03925	7.2
67.05505	73.6
69.03416	5.8
69.07063	42.1
70.64094	2.2
71.04977	7.9
71.08643	3.1
79.05495	76.5
81.03413	6.8
81.07056	78.2
83.04966	10.8
83.08618	22.5
85.02908	3.8
85.06544	5.3
91.03947	2.7
91.05482	70.9
93.07047	57.8
95.04952	13.4
95.08604	47.5
97.06530	35.3
97.10184	22.4
98.21605	4.3
105.04486	3.1
105.06307	3.3
105.07025	64.4
105.68935	2.1
107.04958	27.3
107.08594	69.0
109.06519	10.7
109.10143	25.7
111.08070	8.2
115.05404	2.7
117.07009	22.5
119.08575	40.9
121.06500	6.6
121.10143	21.7
123.08059	9.3
123.11706	8.6
125.09632	17.8
128.06155	3.4
128.98598	3.2
129.06969	15.8
130.07791	4.6
131.08566	33.9
133.10138	34.9
135.08051	9.0
135.11708	14.0
137.06023	3.7
137.09637	4.1
141.07013	4.0
143.08559	13.2
145.10123	36.0
147.08064	3.5
147.11664	23.4
148.26732	2.4
149.09633	29.4
149.13298	3.0
151.11220	4.2
155.08595	11.2
157.10167	13.5
159.11687	21.8
161.13240	10.3
163.11163	15.7
163.14676	2.6
165.12723	2.7
167.08580	4.0
169.10132	9.1
171.03259	2.6
171.10320	2.9
171.11656	15.5
173.11841	4.0
173.13220	11.4
177.12764	3.3
179.08571	3.7
179.14308	7.0
181.10086	2.5
183.11655	10.9
185.13275	5.3
187.11101	4.2
187.14835	6.6
189.11215	9.4
195.11725	5.0
197.13257	9.8
209.13271	4.0
211.14708	6.2
213.16388	10.0
215.14392	3.1
215.17937	2.6
221.13258	3.1
225.16530	3.2
227.12781	23.7
229.14253	3.6
229.19499	9.7
239.18015	9.1
247.20596	3.5
257.18927	19.6
271.90350	2.4
273.18527	4.2
275.20065	100.0
293.21127	8.2
299.18427	3.4
317.19531	5.8
329.14169	7.6
331.22632	5.9
333.17407	4.3
347.15213	19.5
349.17014	3.0
349.23727	70.1
349.28076	3.4
351.18469	5.9
365.16464	3.1
369.19370	9.7
370.16986	3.0
381.27856	6.9
392.20978	2.9
397.31213	3.2
404.95532	2.6
445.29599	4.2
511.34286	5.4
513.36713	3.0
519.33173	2.9
521.18158	3.6
529.35040	6.9
531.38068	5.4
543.36169	4.7
549.39117	3.9
581.20264	9.1
605.40674	8.8
622.22552	3.2
623.43091	59.1
641.21570	15.1
641.35919	13.2
641.43805	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	641.2968
Annotation	Crooksiine
Peak:m/z	Relative Intensity
52.24127	0.3
52.95363	0.3
55.01870	0.6
55.05509	1.2
57.03440	0.3
67.05505	3.0
69.07075	1.2
69.34598	1.6
69.35007	0.5
79.05495	2.5
81.07054	3.0
81.33441	0.3
83.04996	0.3
83.08631	0.6
91.05466	1.7
93.07044	2.1
95.04966	0.5
95.08595	1.6
97.06542	0.5
97.10144	0.6
99.62334	0.3
105.07021	2.2
107.08582	1.7
109.06486	0.3
109.10176	1.3
117.07039	0.7
119.08540	1.4
121.10143	1.0
123.08063	0.4
123.11689	0.3
125.09670	0.5
131.08597	1.1
133.10144	1.4
133.20770	0.2
135.08066	0.4
135.11710	0.4
145.10126	1.0
146.01491	0.3
147.11688	0.8
149.09645	0.8
155.08473	0.3
157.10150	0.3
159.11728	0.7
161.13310	0.3
163.11220	0.4
164.80420	0.2
171.11694	0.3
191.77719	0.2
201.16173	0.3
216.41693	0.3
227.12733	0.3
257.19113	0.5
275.20093	2.5
277.24762	0.3
335.25821	1.2
349.17145	0.3
349.23718	0.7
377.17755	0.8
379.19247	0.9
391.19406	1.4
392.20239	0.4
393.20984	1.3
394.21606	0.4
395.22601	0.5
405.16412	2.1
405.21671	0.6
406.17896	1.2
407.18478	0.8
407.22729	4.5
408.23315	0.5
419.18314	2.6
420.19205	1.8
421.20367	3.4
422.21115	0.6
423.21790	0.8
433.20337	3.5
434.21201	4.1
435.21994	6.4
436.22797	1.1
447.22498	1.5
448.23242	0.7
449.19543	7.7
451.21490	0.3
461.23532	0.8
462.20117	0.6
463.20825	2.7
464.22165	1.9
465.18567	0.3
467.24609	0.9
476.22116	0.4
477.23111	1.0
479.20612	0.9
479.25977	0.4
480.21426	0.5
481.21973	1.7
489.23267	0.3
493.22052	2.5
494.22928	2.7
495.23752	3.0
507.24094	2.0
511.23474	0.4
521.25763	9.2
522.26031	0.4
523.27167	0.5
526.25671	0.4
535.23615	0.8
539.22113	1.5
547.72308	0.3
549.25580	1.2
551.26111	0.3
553.25342	0.8
554.24268	0.3
563.26276	1.1
580.26294	0.4
581.27625	20.3
582.27881	0.8
609.26947	0.9
613.29785	0.5
623.28510	0.4
623.43256	0.8
641.29675	100.0
642.29895	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
53.04663	0.8
55.01861	1.5
55.05515	6.1
56.05013	3.2
56.96548	0.9
57.03424	1.8
57.07073	0.7
58.58123	0.7
60.04275	1.0
60.04532	12.3
61.02909	3.7
65.65916	0.8
66.91095	0.8
67.05193	1.0
67.05509	16.1
67.28805	0.8
69.03414	3.7
69.07066	5.1
70.06604	5.1
70.66576	2.3
71.04990	1.7
73.02905	1.2
79.05492	18.7
81.03426	4.2
81.07062	16.5
82.06581	1.2
83.04968	1.0
83.08621	5.5
84.04483	0.9
84.08133	1.8
85.02422	1.3
85.02903	13.4
85.06528	0.9
86.06090	0.9
86.09698	1.6
86.93977	0.8
90.76449	0.8
91.03940	1.3
91.05075	0.7
91.05485	8.0
92.90561	0.7
93.07043	25.9
94.06551	2.1
95.04975	8.2
95.08605	28.4
96.08116	5.4
97.02882	3.5
97.06522	10.2
97.10161	2.1
99.04453	1.6
99.08081	1.6
103.05428	1.1
105.07004	2.3
107.04888	1.0
107.08567	3.2
109.06508	1.7
109.10155	7.0
110.05994	1.1
110.09677	9.8
111.08064	3.6
111.11675	0.7
116.10697	1.2
119.08587	2.0
120.08095	5.4
121.06508	21.0
121.10140	7.5
123.04417	1.1
123.11730	4.0
124.03945	1.0
126.09174	4.8
127.03904	2.8
131.08554	1.5
133.06381	1.0
133.10132	2.0
135.04367	1.4
135.11687	4.7
137.05968	4.6
138.09146	16.1
139.07550	8.1
139.11147	1.1
144.10185	2.1
147.04483	1.5
147.11597	1.5
148.07431	0.9
149.05983	1.7
149.09612	1.1
149.13210	1.7
152.74384	0.9
156.10202	26.3
159.07985	1.1
159.11639	1.3
163.14894	0.9
166.08611	2.8
173.09680	1.1
174.11264	12.3
175.07475	1.0
176.10762	1.5
177.09103	1.9
184.09702	1.4
187.07558	1.1
189.09085	1.4
192.12227	1.1
204.10243	1.4
205.19556	4.2
206.11739	1.8
233.11690	1.5
250.14325	2.0
250.21802	0.9
260.16394	0.8
268.22702	1.1
311.05484	0.9
388.28464	2.5
406.29477	12.9
424.30566	60.2
442.31641	100.0
443.31989	2.2
443.81006	0.9
460.32709	54.0
461.33008	1.0
462.18741	1.3
478.27744	5.1
478.33664	14.2
479.09717	1.8
506.21280	2.3
596.21277	1.9
622.22949	1.6
640.23553	7.9
640.32813	16.0
641.23773	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22525	0.6
69.53836	3.9
72.08144	1.4
79.05490	0.8
81.07046	0.9
86.09710	1.6
88.67117	0.6
91.05491	0.7
93.07064	0.6
95.08644	0.5
100.11249	6.6
105.07069	0.7
109.10139	0.6
115.74902	0.6
126.70273	0.5
134.90877	0.5
200.19521	0.7
206.21890	0.6
228.16020	0.7
327.22958	0.9
331.22446	100.0
332.22812	1.0
611.43573	1.8
639.40143	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	640.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
53.04663	0.8
55.01861	1.5
55.05515	6.1
56.05013	3.2
56.96548	0.9
57.03424	1.8
57.07073	0.7
58.58123	0.7
60.04275	1.0
60.04532	12.3
61.02909	3.7
65.65916	0.8
66.91095	0.8
67.05193	1.0
67.05509	16.1
67.28805	0.8
69.03414	3.7
69.07066	5.1
70.06604	5.1
70.66576	2.3
71.04990	1.7
73.02905	1.2
79.05492	18.7
81.03426	4.2
81.07062	16.5
82.06581	1.2
83.04968	1.0
83.08621	5.5
84.04483	0.9
84.08133	1.8
85.02422	1.3
85.02903	13.4
85.06528	0.9
86.06090	0.9
86.09698	1.6
86.93977	0.8
90.76449	0.8
91.03940	1.3
91.05075	0.7
91.05485	8.0
92.90561	0.7
93.07043	25.9
94.06551	2.1
95.04975	8.2
95.08605	28.4
96.08116	5.4
97.02882	3.5
97.06522	10.2
97.10161	2.1
99.04453	1.6
99.08081	1.6
103.05428	1.1
105.07004	2.3
107.04888	1.0
107.08567	3.2
109.06508	1.7
109.10155	7.0
110.05994	1.1
110.09677	9.8
111.08064	3.6
111.11675	0.7
116.10697	1.2
119.08587	2.0
120.08095	5.4
121.06508	21.0
121.10140	7.5
123.04417	1.1
123.11730	4.0
124.03945	1.0
126.09174	4.8
127.03904	2.8
131.08554	1.5
133.06381	1.0
133.10132	2.0
135.04367	1.4
135.11687	4.7
137.05968	4.6
138.09146	16.1
139.07550	8.1
139.11147	1.1
144.10185	2.1
147.04483	1.5
147.11597	1.5
148.07431	0.9
149.05983	1.7
149.09612	1.1
149.13210	1.7
152.74384	0.9
156.10202	26.3
159.07985	1.1
159.11639	1.3
163.14894	0.9
166.08611	2.8
173.09680	1.1
174.11264	12.3
175.07475	1.0
176.10762	1.5
177.09103	1.9
184.09702	1.4
187.07558	1.1
189.09085	1.4
192.12227	1.1
204.10243	1.4
205.19556	4.2
206.11739	1.8
233.11690	1.5
250.14325	2.0
250.21802	0.9
260.16394	0.8
268.22702	1.1
311.05484	0.9
388.28464	2.5
406.29477	12.9
424.30566	60.2
442.31641	100.0
443.31989	2.2
443.81006	0.9
460.32709	54.0
461.33008	1.0
462.18741	1.3
478.27744	5.1
478.33664	14.2
479.09717	1.8
506.21280	2.3
596.21277	1.9
622.22949	1.6
640.23553	7.9
640.32813	16.0
641.23773	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17448	0.2
52.92540	0.2
55.01853	0.2
55.05503	1.6
56.05040	0.3
57.07054	1.0
58.06601	7.5
67.05495	0.7
69.07060	0.5
69.68526	1.0
70.06574	0.5
72.08156	13.3
73.06553	1.5
79.05502	0.2
81.07043	0.7
83.04978	1.8
84.08140	0.6
85.08945	0.4
86.09708	21.3
91.05447	0.2
93.07031	0.2
95.08602	0.5
98.06047	0.5
98.09686	0.3
100.11258	100.0
101.06017	2.5
101.11586	0.4
105.16164	0.2
107.08601	0.3
107.87331	0.2
112.11326	0.2
119.08616	0.4
124.10307	0.3
126.09185	0.3
128.10716	0.7
131.08574	0.3
133.10181	0.4
140.14357	3.2
144.10231	0.3
146.11757	2.8
154.12297	2.0
154.15927	1.0
172.13330	2.4
177.97084	0.2
179.69859	0.2
182.11798	0.4
182.15485	0.3
184.07274	0.2
200.12862	0.4
200.16425	1.3
210.14949	0.6
211.14471	0.5
214.14412	1.1
228.15944	7.0
228.18132	0.4
249.19763	0.3
285.21753	4.9
291.19910	0.3
299.23297	7.6
301.14124	0.4
309.21713	0.4
313.21378	0.8
327.22775	12.7
339.26663	0.3
367.26050	0.4
395.25671	0.7
412.31940	0.6
427.28381	0.3
440.31158	3.6
447.22934	0.3
458.32285	6.8
484.33832	1.1
498.36096	0.3
512.33600	0.8
526.35059	1.2
527.37695	0.3
540.36664	0.6
611.43787	33.4
612.44531	0.6
639.43872	13.3
640.42950	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05434	0.5
56.96468	6.9
56.96784	2.1
67.05415	0.9
69.06983	0.5
71.56664	0.5
71.95168	1.1
77.00812	0.7
79.05391	1.1
79.05770	0.4
81.03292	0.5
81.06963	0.8
84.95927	0.5
91.05382	1.0
93.06965	0.7
95.04852	0.4
95.08514	0.5
97.96712	0.6
98.97452	1.8
105.06876	1.2
107.08470	0.6
108.12661	0.4
109.06431	0.4
110.97581	2.6
110.98239	0.6
112.99104	0.5
116.98512	0.7
119.08494	0.6
128.98442	3.2
133.01614	0.5
133.10020	0.7
137.39906	0.4
139.00594	0.5
143.00006	0.6
146.99583	0.8
151.00562	0.7
153.02090	1.6
155.05424	0.7
157.09987	0.5
167.03558	1.3
169.01564	0.7
171.03322	3.7
173.04878	0.6
173.06451	1.0
173.07866	0.5
173.09450	0.4
175.02689	0.8
179.03772	0.4
181.05168	1.1
183.03200	0.6
183.38863	0.4
185.04919	4.9
187.08061	0.6
189.04344	1.8
191.07410	0.5
194.02492	0.4
197.04681	0.6
199.06439	6.4
199.08109	0.4
201.07661	0.5
201.09538	0.5
203.05919	3.1
205.01552	1.1
205.07272	0.8
207.06714	0.4
208.03938	0.9
209.06490	0.6
211.06226	0.9
211.08037	0.8
213.07858	0.9
217.07518	4.6
219.03090	1.5
221.06674	0.5
222.07829	0.6
223.02589	1.4
223.06282	0.6
223.08342	0.9
224.03630	0.5
225.04158	1.1
225.07834	0.9
226.04927	1.3
227.05760	0.9
229.07283	1.0
231.06898	0.7
231.08887	0.7
237.04323	4.1
237.07829	1.0
238.04955	0.7
239.09151	0.6
239.11113	1.3
243.08759	0.6
245.12265	0.6
249.07849	0.9
251.05766	0.6
252.06499	0.4
253.10849	1.1
255.05304	0.8
255.08936	1.0
257.12393	0.5
262.08377	1.1
262.10751	0.7
263.11362	0.7
265.07333	0.7
267.08951	2.7
278.08044	1.7
279.08801	1.6
280.09653	3.2
281.10126	0.7
285.09863	0.9
289.14694	0.5
290.10297	0.6
291.19226	1.2
293.10513	0.6
296.09296	0.5
297.10245	0.5
298.10715	0.9
303.12585	0.4
307.15836	2.2
313.16705	2.9
319.15448	0.5
325.16815	0.6
329.14267	3.2
330.17218	0.4
331.15659	23.8
331.18625	17.2
344.55856	0.5
345.11380	0.5
347.15518	15.8
349.16776	100.0
350.17117	0.9
354.19080	0.6
365.16809	8.0
367.17892	3.0
372.18427	12.1
373.18536	0.6
374.83099	0.5
388.17514	2.2
545.44397	0.5
557.26685	0.5
621.35327	1.9
639.35742	46.0
640.36108	0.8
657.07813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2818
Annotation	Cucurbitacin B 2-sulfate
Peak:m/z	Relative Intensity
55.05499	1.6
67.05482	4.7
69.07064	2.0
73.14773	1.5
78.85625	1.3
79.05473	3.8
81.07045	3.3
82.50708	1.4
83.08622	2.1
86.09688	1.7
91.05467	3.7
93.07050	2.2
95.04981	1.9
95.08610	2.2
105.07036	3.0
107.08602	2.9
109.06528	2.0
109.10163	2.4
117.07078	1.7
119.08604	1.7
121.10155	1.7
124.99972	1.7
129.06999	1.8
131.08527	2.2
133.10066	1.7
145.10042	1.4
159.11722	1.5
184.07343	5.6
197.36362	1.3
221.10629	2.1
223.12247	2.5
224.13126	1.9
235.12163	1.9
237.13832	4.3
238.14624	3.0
249.13844	1.5
251.15613	3.2
253.16943	1.3
261.13965	2.2
279.14743	2.5
291.19217	1.9
293.21185	4.5
294.21191	2.4
299.10556	1.5
340.17911	1.5
379.19241	2.6
403.19370	2.8
404.20120	1.6
405.21069	2.2
406.18097	2.1
407.18579	2.6
410.20853	1.6
422.21091	2.6
432.19174	1.6
435.17636	2.2
445.20221	1.9
449.19260	2.1
460.22589	1.9
473.19308	2.1
475.21158	6.2
476.22043	1.7
477.23135	2.9
487.21182	2.1
488.22318	2.8
491.20407	3.2
501.22403	3.2
503.24738	9.2
509.25656	14.6
519.23871	3.0
521.22968	1.3
522.22534	2.2
533.25073	4.6
535.27258	8.8
536.23926	2.6
537.25244	11.2
551.26129	5.3
561.24982	14.1
562.25452	3.6
563.26361	5.8
564.23224	1.8
565.24371	11.8
569.27362	13.9
579.25934	4.6
589.23932	2.2
593.28339	2.0
595.29028	1.9
596.26318	2.5
597.27094	100.0
607.25665	8.7
611.28918	12.1
621.27240	26.9
621.38959	1.8
622.27789	29.5
639.27655	47.5
639.38995	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	639.2816
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.05496	0.8
59.61955	0.7
61.43415	0.7
65.56782	0.7
67.05495	2.7
69.07024	0.9
69.59730	3.4
69.60143	1.4
79.05499	1.7
81.07054	2.6
93.07082	0.8
95.08600	1.5
107.08552	1.0
121.10117	0.8
135.11693	0.7
173.13188	1.0
174.39296	0.8
207.45209	0.8
209.11565	1.6
248.55833	0.8
350.16293	0.8
372.16974	1.1
378.19531	0.9
389.17548	2.4
390.18420	1.3
391.19305	1.8
403.19427	1.6
404.19913	3.1
404.43768	0.7
405.20648	8.9
406.21436	1.5
417.20889	1.7
418.21649	1.4
419.22342	6.6
420.23145	3.7
431.22714	1.4
433.24008	2.7
434.24988	2.8
435.18680	1.2
445.20255	1.3
447.22128	3.8
449.19781	6.4
450.20633	1.9
461.23584	0.9
463.21298	6.3
464.22241	3.2
464.28177	0.8
465.22900	6.0
475.21640	2.5
477.22986	3.7
478.23941	4.6
479.24438	24.8
480.25186	1.2
487.21249	2.8
491.20206	1.8
491.25040	1.1
492.25433	2.2
493.25970	17.9
501.22928	2.2
503.24298	2.5
505.22708	1.7
507.20209	0.9
519.23773	2.6
522.22705	0.8
523.23230	8.4
524.24249	1.1
537.24945	29.3
547.23322	6.2
549.21082	0.9
550.21637	0.9
551.26526	15.1
552.27301	60.8
553.27521	1.3
579.26147	7.4
607.25653	9.8
611.28522	0.9
621.27338	1.6
639.28149	100.0
639.41254	6.5
640.28461	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88791	1.9
61.60696	1.9
61.84830	1.8
62.94594	2.0
66.51804	1.9
67.94978	2.0
71.56389	2.0
112.19078	1.7
113.68144	1.7
137.36211	2.2
157.85535	2.1
163.75227	1.9
217.96815	1.9
223.12158	2.8
267.14490	2.2
361.40869	2.6
419.14609	2.7
431.18219	4.1
433.24142	5.0
434.17465	2.2
444.19360	6.5
445.20187	6.5
459.21817	40.5
460.23059	10.0
461.23428	4.4
473.22943	2.7
519.23999	9.0
531.23651	2.4
547.20276	2.5
547.27124	20.3
551.26373	2.4
579.25848	6.2
591.26068	3.4
596.26245	4.4
606.28381	100.0
606.38275	4.9
607.25110	17.9
611.28790	13.9
621.26819	4.7
622.27765	4.5
639.28015	53.8
639.40118	2.3
639.43347	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	639.2816
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.05516	0.9
57.00078	0.6
57.07072	0.7
60.36074	0.7
67.05507	1.2
69.89420	3.6
81.07055	0.8
90.69922	0.8
95.08614	1.2
98.39921	0.7
100.24929	0.7
107.08596	1.1
111.04505	0.7
249.88512	0.7
313.27530	0.8
349.66763	0.7
375.16107	1.1
389.17691	3.4
390.18274	2.4
391.19193	2.0
401.12747	0.7
401.17853	2.4
402.18817	1.3
403.19421	4.5
404.15530	1.0
404.20380	4.6
405.20776	4.3
407.22375	1.7
412.17831	0.9
415.19595	3.9
416.20450	1.0
417.16354	1.2
417.20993	2.9
418.17395	1.7
418.22211	1.5
419.22723	4.1
420.23215	2.0
421.03671	0.9
425.18039	1.0
427.19406	1.9
429.20886	2.6
430.21808	2.8
431.18674	3.0
432.19244	1.2
433.19745	8.0
441.21301	1.1
442.21820	1.5
443.22720	2.3
444.23495	1.3
445.19467	3.9
445.24954	1.4
446.20865	2.8
447.21625	6.0
455.18619	0.8
457.23846	2.5
458.20752	1.6
459.22562	3.4
461.19507	1.1
464.22272	0.9
469.20386	1.2
470.21109	1.4
471.21933	0.9
473.19766	5.0
473.24823	1.6
474.20825	2.8
475.21277	6.7
476.21985	1.3
477.22903	0.8
483.21762	2.2
484.22668	3.1
485.23358	3.0
485.55011	0.8
486.20740	1.5
487.21375	7.7
488.22235	7.6
489.22916	3.2
491.20154	6.0
498.21381	0.9
499.21320	1.0
500.22171	1.6
501.22809	6.7
502.24158	5.7
503.24567	1.1
505.26050	2.4
506.26822	2.5
511.21207	2.0
512.22272	1.0
517.22650	2.5
519.24194	3.4
529.22479	1.5
531.23883	2.7
532.24518	1.4
533.25592	8.2
534.26251	10.5
543.23926	2.3
545.25214	1.3
551.26575	1.2
559.23212	1.3
560.23676	0.9
561.24951	55.3
562.25592	3.9
571.23547	6.2
589.24341	11.0
593.27600	2.1
603.25787	4.8
607.25391	0.9
621.27057	100.0
622.27710	2.6
639.28168	93.6
639.40106	5.8
640.28540	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	639.2813
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
62.99515	0.3
67.05505	0.6
79.05531	0.4
81.07049	1.0
93.07040	0.4
95.08611	0.4
105.07074	0.5
119.08551	0.4
125.02663	0.3
147.11722	0.4
221.10841	0.7
223.12367	0.3
300.15286	0.4
314.16669	0.4
324.15247	0.4
326.16531	0.5
338.16714	0.4
376.16895	0.6
377.17447	1.8
378.18710	0.6
389.17773	1.0
390.18491	1.5
391.19186	3.6
392.19946	2.5
393.21234	0.8
403.19614	1.1
404.20337	1.6
405.20776	8.6
406.21567	4.3
407.16873	0.6
407.22318	9.8
417.21155	0.8
418.21521	1.1
419.22379	4.6
420.23108	3.8
421.17261	0.6
421.23880	13.7
422.16699	0.4
422.24738	2.4
424.21866	0.5
430.17950	0.4
431.18097	0.6
431.22983	0.5
433.24332	4.0
434.24936	1.9
434.95819	0.4
435.18253	1.3
435.25464	1.2
436.18777	1.8
437.19495	0.5
445.19965	1.8
446.20486	0.7
447.21191	0.6
447.25754	1.1
448.26700	0.7
449.19153	2.1
450.20493	1.6
451.21201	10.3
452.22122	2.6
458.24719	0.4
459.22049	0.5
460.22604	1.2
461.24097	1.6
463.21582	2.0
464.22412	0.9
465.22867	17.6
466.23877	1.8
473.19873	1.0
475.21136	1.5
475.25919	1.0
477.23026	0.8
478.23712	1.5
479.24524	1.1
487.21408	1.9
488.22141	2.2
489.23410	0.5
491.20795	1.2
491.25293	0.3
492.21625	1.5
493.26208	2.1
501.22977	2.1
502.23724	1.3
503.24457	10.0
504.24939	0.8
505.21533	0.6
507.20273	0.5
507.27475	10.4
508.28482	2.3
519.23975	1.0
523.23468	3.8
533.25757	0.9
535.27063	13.9
536.27710	0.8
537.25018	9.0
551.26703	5.5
552.27338	18.6
553.27698	0.6
561.25000	3.0
562.25897	0.9
579.26111	6.4
580.26740	1.9
593.27637	0.8
595.29102	6.7
607.25635	0.6
621.27100	16.8
622.26947	0.4
639.28125	100.0
639.41693	6.3
640.28522	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	638.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	22.3
57.07073	20.6
67.05502	13.6
69.07070	27.6
71.08633	10.6
71.30068	3.1
73.06554	5.4
73.57670	1.7
76.56348	1.8
79.05490	3.7
81.07055	17.2
83.04987	3.1
83.08625	26.9
85.10180	5.3
87.04457	6.7
89.06033	100.0
91.05492	4.2
93.07066	3.2
95.04967	3.0
95.08598	16.2
97.10162	26.4
109.10159	10.2
111.11723	11.9
115.05342	1.7
117.09127	5.8
119.08618	2.0
121.10144	2.0
123.11734	3.2
125.13284	4.1
129.07028	2.3
130.08643	4.9
133.08606	54.6
134.89380	1.8
147.11719	3.0
151.11256	1.8
151.14906	1.9
159.08051	4.1
177.11218	26.1
193.29048	2.0
215.14346	2.2
221.13864	7.6
223.05205	11.0
239.14871	3.3
271.20581	2.1
277.21576	9.2
279.11383	4.1
283.17627	2.7
309.24216	6.0
327.19995	2.5
335.17511	2.5
339.32501	6.2
371.22714	9.7
383.34998	1.8
453.12158	2.1
477.22592	2.9
509.18497	7.5
547.29938	1.8
563.25165	2.2
565.24988	8.5
606.27435	2.2
621.31244	14.2
621.49323	14.3
638.30566	25.6
638.52020	3.2
639.29626	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	638.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
55.05534	0.5
56.38709	0.4
57.03448	0.7
67.05499	2.1
69.03442	0.5
69.06712	0.3
69.07068	7.7
69.62167	1.5
69.62576	0.6
79.05064	0.6
79.05497	8.0
79.59174	0.4
81.07058	0.5
85.02900	1.0
91.04914	0.4
91.05481	7.2
95.04965	0.5
97.06532	87.2
98.06887	0.7
98.97591	0.4
105.07038	1.0
107.04898	0.4
107.08605	0.7
109.06507	0.9
117.06930	0.3
119.04957	4.6
121.10139	0.4
124.22799	0.3
133.06487	0.9
133.10143	2.8
135.04436	0.8
137.05980	58.6
138.06334	0.7
147.04387	3.6
149.05988	1.2
158.99655	0.5
169.10370	0.3
173.13239	0.5
189.09116	7.5
191.10675	0.6
205.12321	0.4
211.49683	0.4
211.51994	0.4
212.72284	0.4
215.10719	1.6
216.10031	0.3
233.11725	89.8
234.12074	1.1
240.23811	0.3
250.14384	100.0
251.14706	1.2
258.75662	0.3
269.00540	0.3
300.15363	0.3
324.42810	0.4
361.76453	0.3
565.42926	0.4
650.46729	0.4
657.81238	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74404	0.3
55.05499	0.5
56.05030	0.7
57.07073	0.4
58.06611	0.5
60.08163	5.4
60.13715	0.3
67.05512	0.5
69.07056	0.6
71.07363	2.9
71.72203	0.3
72.73762	0.3
79.05494	0.7
80.41205	0.3
81.03404	0.5
81.07045	1.1
86.09708	29.3
88.74848	0.3
91.05473	0.7
93.07047	0.6
95.05028	0.3
95.08603	0.5
98.98466	2.3
104.10728	2.6
105.07024	0.5
106.57050	0.3
107.08610	0.4
109.10143	0.4
110.45251	0.3
117.06975	0.4
119.08559	0.5
121.10094	0.5
125.00006	21.1
145.10092	0.4
184.07339	100.0
273.18353	0.3
291.19638	0.9
293.21210	0.4
302.91049	0.3
423.13516	0.3
432.75424	0.3
492.21146	0.4
578.24719	0.9
582.86523	0.3
597.26349	0.5
621.27185	0.4
622.27258	0.4
638.28046	1.8
638.44031	8.0
639.27985	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	637.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.8
55.90324	0.3
57.01590	0.3
57.07079	0.6
59.44083	0.3
65.95368	0.4
67.05507	1.3
69.07066	0.6
69.96099	1.5
69.96525	0.6
70.61667	0.4
73.24249	0.3
79.05505	0.7
81.07072	1.2
83.04994	0.4
88.40169	0.3
91.05485	0.4
93.07073	0.4
95.08618	0.5
109.10175	0.6
119.08633	0.4
121.10107	0.4
141.01637	0.4
145.10158	0.5
169.11165	0.4
209.11516	2.1
315.19455	0.7
337.02368	0.6
345.20450	1.5
350.65726	0.4
390.62967	0.5
439.98602	0.4
458.13800	0.3
559.23181	0.9
577.24133	0.7
581.24719	0.8
587.23016	3.0
605.23883	0.7
619.25836	2.6
625.41693	0.5
637.28204	3.7
637.40723	100.0
638.41315	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.6
57.07067	1.3
59.30542	0.5
67.05497	1.8
69.07055	1.0
70.86157	1.3
70.86509	0.7
74.36498	0.5
79.01624	1.0
79.05515	1.4
79.78283	0.6
81.07064	1.1
82.89771	0.5
83.04975	2.0
83.08598	0.7
89.38661	0.6
91.05473	1.4
93.07046	2.0
95.01102	2.9
95.04984	0.7
95.08606	1.4
95.30480	0.6
96.01872	1.5
100.41157	0.6
105.07042	1.0
107.08615	1.6
119.08557	1.6
126.17995	0.6
131.08646	0.9
133.10103	0.6
141.05498	0.5
147.11652	1.7
153.01640	3.5
157.82811	0.6
168.09082	0.5
209.11493	100.0
235.12975	1.6
237.14513	1.5
253.22699	0.6
265.14023	2.1
277.21671	0.8
281.13416	1.2
309.13034	1.2
337.02344	1.8
353.15692	13.8
379.20959	3.5
399.16019	0.6
411.16251	8.1
447.20822	0.6
461.22614	1.1
462.23236	0.9
465.35648	0.7
499.21054	0.9
525.18201	1.0
549.27673	0.8
559.23248	2.3
581.24152	3.1
587.22778	2.6
608.29053	0.9
609.29718	2.0
619.25555	3.7
637.28943	8.6
637.40344	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	637.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	3.6
53.04167	0.9
55.01860	2.3
55.05515	5.7
57.03159	0.6
57.03437	13.6
57.07078	23.1
57.07348	0.8
61.02929	50.8
64.89568	0.7
66.70132	0.8
67.05158	1.1
67.05504	9.0
69.03087	1.3
69.03426	16.9
69.07076	6.1
69.70853	0.6
69.79334	0.8
71.01336	2.2
71.04965	2.7
71.08631	21.4
73.02921	18.0
75.04479	0.8
79.05494	1.9
81.03418	14.7
81.07059	12.6
83.04977	1.7
83.08611	9.1
85.02907	59.7
85.10182	11.5
87.04454	2.7
89.06010	1.3
91.03956	35.1
91.04531	1.7
91.05477	2.0
93.07038	1.5
95.04951	1.0
95.08062	1.0
95.08614	15.2
97.02895	52.4
97.10149	4.6
99.04451	9.5
99.11700	0.9
101.02393	4.8
103.03946	9.5
103.07576	0.8
107.08549	0.7
109.02889	10.4
109.06541	0.9
109.10163	6.7
111.04436	1.8
115.03946	4.7
117.05467	1.2
119.08538	0.7
121.95177	0.8
123.11706	3.0
125.13267	1.0
127.03924	22.1
129.05452	3.3
135.11667	0.8
137.05991	1.0
137.13303	1.6
141.05498	0.8
145.04968	12.5
151.14813	1.1
155.07071	1.3
159.06561	2.9
163.06018	3.4
171.06464	2.3
183.06540	13.4
201.07533	8.1
219.08580	1.1
221.22594	1.1
239.23708	20.7
257.24744	3.8
297.28058	0.8
311.25787	1.1
313.27365	100.0
314.27966	0.9
331.28394	0.8
341.26807	4.5
355.28387	6.5
367.28473	1.3
383.27853	1.8
385.29510	2.0
397.29572	2.0
409.29660	1.1
421.29370	1.7
439.30627	3.8
457.31604	14.9
475.32541	2.3
637.27460	0.9
637.38477	5.2
651.06732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86938	0.4
70.85016	0.5
70.85368	0.8
89.43745	0.4
90.66671	0.4
96.79797	0.4
96.88533	0.4
100.37968	0.4
107.39326	0.4
113.08743	0.3
118.19288	0.3
149.48790	0.4
299.15173	0.4
309.01575	0.4
377.17670	0.7
388.17996	0.8
389.18417	0.8
390.18555	1.1
391.18906	1.7
392.19977	1.1
399.16013	0.9
400.16870	1.2
401.17599	1.5
402.18832	0.6
403.19574	1.0
404.20892	0.9
405.20773	4.0
406.21530	3.5
407.21741	0.5
412.17664	0.5
413.17447	1.6
414.18442	1.9
415.19141	3.7
417.21057	0.9
418.21634	0.4
419.22400	1.5
420.23212	4.1
421.23843	7.8
426.18933	0.5
427.19293	1.2
428.19955	2.3
429.20874	9.3
430.21771	1.6
431.18469	1.1
431.23236	0.6
433.19934	1.7
433.24246	1.5
434.24637	1.3
442.21344	1.3
443.22507	6.9
444.23297	3.5
445.19754	2.8
446.21005	0.9
447.17279	2.2
448.22641	0.6
452.21997	0.7
455.18585	0.7
456.19394	1.3
457.24905	3.2
458.24854	5.3
459.21768	6.7
460.22678	4.4
461.19379	6.7
462.20459	0.8
470.20901	1.5
471.21600	1.5
472.22623	5.3
473.18475	0.7
473.23550	1.6
475.20502	2.2
476.22058	5.7
484.18845	0.5
485.23407	11.5
486.19904	1.1
486.24139	2.7
487.20944	1.9
488.22058	4.5
489.22232	0.8
498.20517	0.8
499.20987	1.0
500.22205	1.3
501.22870	0.7
502.23544	1.0
503.24405	15.2
505.22766	0.8
513.22797	2.8
514.23657	1.3
517.26001	7.5
529.25690	2.0
530.23102	0.5
535.27087	19.8
545.25488	64.1
546.25879	1.1
549.24811	0.8
563.26538	4.5
573.24969	15.8
577.28180	0.7
578.28552	1.9
605.27594	60.9
606.27838	1.5
637.30206	100.0
638.30859	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
55.58200	0.6
57.07063	0.5
67.05514	4.3
69.07058	1.5
79.05499	0.9
81.07077	1.4
83.08646	1.7
93.07028	1.1
95.08627	1.4
97.10204	0.7
97.44730	0.6
107.08620	0.9
109.10176	3.1
114.29314	0.6
119.08562	1.0
128.66171	0.7
133.10141	0.8
147.11748	0.8
401.17859	0.8
403.19739	1.0
405.20770	1.2
415.19574	1.3
417.21484	2.9
419.22537	1.5
429.16812	1.4
430.17563	3.0
431.18710	2.4
432.19281	1.3
443.18335	1.4
444.19659	2.7
445.20068	9.4
446.20966	2.3
447.21863	2.4
457.20200	1.2
458.20972	8.5
459.21924	6.4
460.22818	5.8
461.19235	3.1
462.21143	1.3
465.35751	5.5
471.22421	0.7
473.23834	1.5
475.21411	2.7
476.22153	2.3
477.23059	2.1
489.19388	0.6
491.24619	1.8
504.25378	1.1
505.22543	1.8
517.22375	1.7
518.23126	6.4
519.24127	0.8
531.24194	0.8
533.25659	3.7
535.23761	2.0
545.25604	3.2
546.26337	1.5
547.27533	0.8
549.25122	1.4
560.23969	1.0
573.24866	1.8
577.27228	2.8
605.27625	15.7
606.27838	1.2
619.25690	0.8
637.30243	100.0
638.30542	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	637.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06475	0.7
55.05510	2.2
57.07066	2.0
61.02917	2.9
67.05490	3.2
69.07060	2.2
69.07704	0.7
69.43061	1.5
69.43465	4.4
71.05018	0.9
71.08630	2.2
79.05495	2.9
81.07055	3.8
83.04990	1.0
83.08636	1.8
85.02910	1.4
91.05479	2.1
93.07039	2.0
95.04942	1.4
95.08577	1.9
97.02901	1.8
97.10184	0.9
103.07272	0.7
105.07021	1.7
107.08590	1.8
109.10169	1.8
113.02142	0.7
117.07021	1.0
119.08590	2.2
121.10142	1.6
125.09626	1.1
131.08600	1.5
135.11705	0.7
144.82684	0.8
145.10158	1.4
147.11699	1.0
157.10181	1.0
217.52617	1.0
239.23784	0.9
298.15823	0.9
313.27423	3.2
328.43402	0.8
374.16553	0.9
375.16397	0.9
377.17743	1.1
386.15005	1.1
391.19391	1.4
393.20874	2.3
399.16016	2.0
400.16748	2.7
401.17709	3.3
402.18839	1.0
407.22269	3.6
413.17511	2.7
414.18408	3.3
415.19232	6.4
417.21005	1.2
421.19858	1.5
427.19370	2.3
428.20160	2.9
429.21136	8.7
430.21637	1.4
441.17291	1.7
442.18265	0.9
443.18341	3.0
443.22672	3.3
444.18411	3.6
445.20480	1.4
447.17661	1.1
455.18488	1.1
456.19467	1.6
457.20251	4.0
458.20901	2.9
461.20511	0.8
471.22357	7.6
472.23111	4.5
473.19250	5.2
474.20233	1.4
484.19028	1.3
485.19849	1.9
486.20563	6.1
487.21280	2.5
488.22314	1.0
489.22821	1.4
490.20004	2.6
499.21490	9.2
500.21878	2.5
503.24310	3.3
517.22070	4.5
527.20715	2.4
531.23956	14.0
543.23883	1.0
559.23407	83.9
587.22937	12.9
605.24231	0.8
619.25488	100.0
620.25659	1.3
637.26233	13.9
637.41425	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56486	0.7
55.05503	2.2
57.07060	0.8
67.05490	2.8
69.07080	0.9
71.55880	1.4
79.05496	1.1
81.03428	1.1
81.07055	2.5
83.04989	1.1
91.05495	1.9
93.07056	2.0
95.04967	0.7
95.08601	1.8
96.36437	0.8
105.07066	1.3
107.08602	1.5
108.08131	1.1
109.10207	1.3
110.10480	1.0
119.08595	1.2
133.10240	0.8
162.05548	1.7
164.09096	0.8
168.08083	1.7
181.07645	2.5
181.09032	1.6
183.09109	1.1
193.07695	2.4
194.08409	2.3
195.09222	5.3
196.09891	2.0
197.10735	3.9
207.09232	3.1
208.07831	1.1
208.10020	3.4
209.07095	1.9
209.10773	7.1
210.11501	6.2
211.08701	1.3
211.12341	2.2
212.13068	1.2
221.07092	1.3
221.10770	1.8
222.07924	2.2
223.08682	8.8
223.12227	6.4
224.09435	16.8
224.13129	2.7
225.10269	6.3
225.13872	7.2
226.14749	2.0
227.15456	1.3
234.08032	0.8
235.08708	6.7
236.09496	3.3
237.06703	1.8
237.10168	4.7
238.11055	3.5
239.08188	2.2
239.11856	1.5
241.09761	0.9
244.08530	0.8
249.06520	1.4
251.08192	4.6
251.11858	5.1
252.09055	2.4
253.09793	1.0
253.10318	1.1
253.13373	22.2
255.11240	3.7
256.12146	4.4
260.35333	0.9
263.08078	4.0
264.08969	4.2
265.06448	1.1
265.09677	2.9
266.10568	2.3
269.09271	1.5
269.12817	1.2
270.13794	2.0
271.14349	1.2
272.08029	1.4
275.20218	0.9
277.06418	1.7
277.21747	1.0
279.08023	1.7
279.11343	5.7
281.09286	2.8
281.12689	1.6
282.10132	1.3
283.10663	1.1
291.07666	8.6
293.09241	1.5
295.07275	1.0
297.12271	4.8
309.08826	1.7
309.24332	1.9
310.09610	4.0
311.10275	0.9
319.07230	1.8
323.10089	1.4
325.11823	5.4
351.09769	29.4
369.10846	21.6
438.14859	1.0
458.85986	1.0
470.17105	2.4
489.22034	1.2
503.20264	1.2
517.22705	6.2
545.21545	1.5
573.21027	3.8
577.24524	30.8
605.23975	100.0
606.23901	1.2
618.25427	0.8
623.25244	1.0
637.26575	26.6
637.42523	1.3
643.36395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2655
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
70.71917	0.6
70.72273	0.6
74.99898	0.4
79.37627	0.4
107.79782	0.4
233.10605	0.5
251.11786	0.4
260.82632	0.4
329.99191	0.4
377.17758	1.5
378.18655	0.7
386.15479	0.8
387.16187	0.9
390.18768	0.6
391.19208	1.2
392.20306	0.8
393.20786	1.9
398.15839	0.5
399.16031	2.1
400.16794	2.8
401.17706	3.3
402.19467	0.5
403.19418	0.4
404.15881	0.5
405.08142	0.5
405.20963	0.8
407.22360	2.5
412.17950	0.6
413.17682	3.3
414.18546	3.6
415.14560	0.7
415.19284	9.0
416.19946	1.3
417.20724	1.3
419.18213	0.6
419.22879	0.9
421.20108	2.5
425.17480	1.1
427.14618	0.6
427.19278	1.6
428.20490	3.4
429.15891	0.6
429.21365	6.5
430.22073	2.5
431.22836	0.4
435.21909	1.7
436.22668	0.6
439.19836	0.5
440.20325	0.5
441.17325	1.4
442.17920	1.7
443.18222	2.7
443.22546	3.7
444.18811	4.2
445.20496	2.3
447.17636	0.6
455.18936	1.0
456.19388	1.1
457.20520	5.4
458.21176	4.1
459.17593	0.5
461.19742	0.5
462.20370	0.5
469.15820	0.4
470.16986	0.5
471.22363	6.9
472.23340	5.1
473.19431	3.4
474.20624	0.8
476.17767	0.7
484.18906	1.2
485.19992	2.9
486.20514	5.8
487.21106	2.6
488.22028	1.1
489.23596	1.0
490.19659	2.9
491.20587	0.7
499.21356	10.6
500.23224	2.4
501.22504	0.6
502.20004	1.1
503.24854	3.8
513.19312	1.5
514.07269	0.4
514.20209	1.3
516.21741	1.2
517.22498	3.5
518.23059	0.5
521.25098	0.7
527.20917	2.9
528.21704	1.3
531.23999	12.6
541.22485	0.7
543.23505	1.8
545.21863	0.7
549.24976	1.1
559.23425	85.6
560.23389	1.9
587.22943	13.7
605.24097	0.6
619.25519	100.0
620.25366	2.2
637.26556	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	637.2657
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
53.02151	0.8
53.03946	1.7
55.05510	3.2
57.07084	1.4
67.05508	6.7
69.07064	2.9
78.64815	0.8
79.05503	5.4
81.07059	4.2
83.08641	2.2
89.06045	1.3
91.05505	1.2
93.07037	3.4
95.04984	1.5
95.08604	2.4
97.10152	1.6
104.05010	2.4
105.04525	1.0
105.07037	1.7
106.06553	2.0
107.08607	1.9
109.10165	4.0
117.07006	1.3
118.06598	1.6
119.08604	2.0
120.08085	1.0
121.10114	1.2
125.09622	1.3
131.08536	1.4
133.10155	1.9
134.06021	10.1
138.05533	1.2
145.10110	1.3
152.07126	1.6
159.11638	1.0
162.05321	0.9
172.03967	2.7
173.11757	1.1
178.05005	11.1
180.49895	0.9
195.09152	1.6
197.10783	1.2
204.06541	5.4
206.75606	0.8
209.10783	0.9
221.10756	1.1
223.08731	2.0
224.09531	1.1
225.10309	1.8
225.14006	1.0
235.08704	2.8
236.09399	1.2
237.10301	3.1
239.11841	1.6
249.10323	4.1
250.11055	1.1
251.08133	2.1
251.11845	2.2
253.13492	2.9
261.10040	1.3
263.08176	1.6
265.09830	1.9
269.09464	0.8
275.08231	0.7
275.19955	1.1
277.09836	3.0
278.10574	1.1
279.08047	1.2
279.11362	2.8
281.12967	1.5
297.12445	0.9
298.13614	1.0
300.11227	1.3
305.09180	2.6
309.12527	2.0
310.09744	1.0
311.14017	1.2
312.11508	1.7
312.14929	1.0
313.12552	1.0
314.13062	1.7
316.14569	1.1
324.11258	0.9
325.12125	1.9
326.12943	2.8
327.14017	1.4
328.14453	2.1
330.16086	1.0
337.11819	8.7
338.12881	2.2
339.13913	2.3
340.10843	1.4
340.14532	3.7
342.12503	1.2
351.09821	1.4
352.10861	1.4
353.15387	1.1
354.12350	3.0
354.16226	2.2
355.13153	1.4
356.14011	1.8
358.15390	2.2
367.13449	1.2
368.14008	2.9
369.14743	1.3
370.15683	1.3
382.15744	2.6
383.16461	0.9
384.17377	1.3
394.15878	1.2
395.12408	0.9
396.13678	1.8
400.16620	1.0
403.15381	1.1
410.15131	3.5
411.15680	1.0
417.17096	1.3
418.18152	1.1
419.18854	1.5
427.16031	1.0
428.16077	2.0
432.15405	0.9
438.14819	1.1
442.17648	2.4
444.19424	3.2
445.16422	1.1
447.17783	1.1
461.19952	1.7
462.20569	1.7
463.21353	1.1
465.35767	8.6
470.17130	4.8
472.19077	0.9
475.21667	1.6
488.17749	1.3
489.22931	1.1
490.19543	1.3
491.21027	1.5
502.19818	1.1
503.21060	2.5
517.21771	1.4
530.19525	1.3
531.20496	1.7
535.23517	19.7
545.21625	1.4
549.25085	1.8
563.23071	2.8
573.21368	1.9
577.24506	24.0
587.22980	1.0
595.25385	6.0
605.23950	45.3
609.27020	2.0
619.25702	1.3
637.26593	100.0
638.27075	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2651
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
53.88928	0.4
55.05498	0.7
57.89176	0.4
62.38171	0.4
67.05511	0.7
67.75720	0.5
69.07072	0.7
71.70221	0.4
72.45902	0.4
73.66525	0.4
79.05513	0.7
81.07062	0.6
91.05494	0.7
93.07040	0.6
95.08605	0.6
105.07047	0.6
107.08549	0.5
109.10173	0.5
119.08599	0.5
141.74815	0.5
195.09105	0.5
291.19614	0.7
387.16196	0.5
388.17297	0.5
389.17651	1.6
390.18726	0.7
401.17868	1.0
402.18436	1.1
403.19321	2.5
404.20096	0.7
405.20792	1.0
415.19592	0.9
416.20294	0.7
417.16928	1.6
417.21060	1.6
419.22415	3.1
420.23230	0.5
429.17056	0.8
430.18076	0.6
431.18079	2.2
432.19427	0.9
433.20615	0.6
435.18140	1.0
444.19400	0.6
445.20123	4.7
446.21060	3.2
447.22458	3.0
449.19785	0.4
457.16397	0.6
459.22186	0.9
460.22803	0.5
461.15179	2.0
462.16345	0.6
463.21555	3.0
475.17853	1.7
476.18640	1.3
477.19379	1.7
489.18823	2.2
490.19937	8.1
491.20691	11.4
503.20917	4.1
504.21765	1.2
505.26477	0.6
517.22766	2.0
522.22449	0.5
533.25629	7.0
535.19586	1.0
536.24664	0.6
545.21704	0.6
549.24548	2.1
559.23639	0.9
562.21893	0.8
577.24469	26.3
578.24261	0.8
593.27283	1.2
605.23889	0.8
609.27100	0.8
619.25470	1.4
637.26544	100.0
638.27106	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	637.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
67.05503	1.4
69.07051	0.8
76.99220	0.4
79.05490	1.2
81.07059	1.5
87.92439	0.4
91.05483	1.0
93.07050	1.1
94.95587	0.4
95.08607	1.1
95.51254	0.4
97.06545	0.5
98.21504	1.3
105.07034	0.9
107.08585	1.2
109.10179	0.9
117.07063	0.7
119.08578	0.7
147.11665	0.4
157.94183	0.5
159.11716	0.5
214.01370	0.5
221.10849	0.6
224.98116	0.5
229.04155	0.6
237.13771	0.5
249.10336	0.6
363.16156	0.8
375.17188	0.7
376.17538	0.6
377.17764	2.2
378.18561	1.6
379.19247	0.6
385.14777	0.5
386.16452	0.7
387.16165	1.0
390.18781	0.6
391.19330	2.9
392.20093	2.2
393.20724	3.8
399.16162	1.9
400.16904	1.8
401.17859	2.9
402.18396	0.9
403.19836	1.1
405.16397	0.6
405.21127	2.4
406.21719	0.8
407.22318	4.9
412.17816	0.5
413.18130	2.2
414.18561	3.4
415.19333	6.2
417.20837	1.3
418.18396	0.7
419.22821	1.0
420.19568	0.9
421.20187	4.7
425.17685	1.1
427.19550	1.1
428.20691	2.2
429.21338	6.0
430.21417	1.8
431.18668	1.6
433.20712	1.3
435.21793	4.3
436.22620	1.2
441.16913	1.0
442.17850	1.1
443.18280	2.0
443.22635	2.3
444.18875	3.3
445.20926	2.8
446.21432	0.8
447.17316	2.5
448.19186	0.8
449.19946	0.6
456.19757	1.0
457.20981	2.9
458.21368	3.4
459.18173	1.8
460.18900	0.8
461.19348	2.3
462.19894	0.8
463.21088	0.7
469.16440	0.7
471.22577	5.7
472.23663	3.1
473.19495	4.2
474.20660	2.4
475.16772	0.8
475.22028	0.9
476.17896	0.7
484.19168	1.1
485.19833	3.5
486.20554	5.0
487.21533	1.9
488.22592	0.8
489.18683	2.0
489.23181	2.7
490.19247	3.3
491.20087	1.2
499.21405	9.2
500.21799	2.4
501.23270	1.3
503.20435	1.5
503.24561	2.0
513.19202	6.0
514.20319	1.3
515.22205	0.6
516.21710	1.9
517.22418	14.4
518.20300	1.0
519.20538	0.9
521.25513	1.9
527.20898	3.0
528.21643	1.4
529.22058	0.9
531.24475	10.4
543.23792	1.3
545.22192	1.2
549.24945	6.3
550.25299	0.6
559.23413	57.7
560.23541	0.9
573.21686	1.0
577.24353	2.4
578.25323	0.6
587.22955	10.9
591.26208	3.9
605.23962	6.2
609.27368	0.7
619.25531	63.1
620.25873	0.8
637.26587	100.0
638.26801	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	636.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18696	1.4
53.03944	3.8
55.01873	1.9
55.05509	14.6
57.07080	4.3
57.70588	1.5
59.23226	1.5
65.03907	1.8
67.05506	31.9
69.03435	2.7
69.07066	16.0
69.71612	10.0
70.16580	1.5
71.04997	2.0
72.72112	1.3
77.03867	1.8
79.05492	58.7
81.03405	1.7
81.07060	38.3
83.04979	4.2
83.08606	6.9
85.06535	2.4
89.05997	1.9
89.60052	1.5
91.05479	25.5
93.07045	81.4
95.04957	5.3
95.08608	28.2
96.08230	1.6
97.06506	5.1
97.10171	5.1
105.04572	1.8
105.07036	14.6
107.08598	45.9
109.06535	2.1
109.10148	15.4
111.08066	1.9
117.07030	4.2
119.08575	14.0
121.06501	1.6
121.10143	36.6
123.08089	4.0
123.11694	3.9
125.09658	3.0
129.07008	2.5
131.08580	6.3
133.10161	14.3
135.08017	3.3
135.11697	39.8
137.05952	1.9
137.09599	2.6
143.08524	3.7
145.10124	6.5
147.11685	7.2
149.09657	2.4
149.13280	19.7
157.10097	2.0
159.11728	5.4
161.13281	4.2
163.14842	4.5
167.10651	1.9
169.10098	1.9
171.11734	3.7
173.13225	7.5
174.70735	1.7
175.11162	2.2
175.14874	3.0
177.12683	4.0
185.13354	2.6
187.14958	1.8
195.13853	4.4
199.14828	2.4
204.40346	2.0
209.11420	3.1
213.16367	2.7
221.15324	2.6
227.16458	6.3
231.17548	1.7
235.16966	3.2
241.19551	2.8
247.60942	1.5
259.20560	5.4
275.20178	8.5
277.21622	100.0
287.16391	4.9
289.21817	2.4
291.23224	2.3
305.17532	10.3
307.22540	5.3
323.18439	3.7
471.16129	1.7
559.23071	8.2
619.25262	10.1
636.27454	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	636.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.3
55.05516	21.3
57.07073	28.2
58.41580	3.3
65.03939	6.5
67.05505	43.7
69.07073	25.7
70.61073	3.7
70.61409	7.0
70.97323	2.7
72.08156	6.3
79.05491	69.5
79.82895	3.4
81.07060	46.7
83.04998	32.0
83.08615	11.4
91.05483	47.4
93.07049	94.6
95.08609	34.2
97.06570	5.7
97.10185	10.5
105.07043	23.7
107.05009	3.2
107.08598	49.9
109.06565	4.3
109.10186	20.2
117.07022	8.9
119.08614	22.8
121.09322	5.3
121.10149	47.8
125.09656	5.6
129.07028	5.0
131.08559	10.8
133.10104	23.1
135.11697	48.0
139.11191	3.3
141.07010	7.3
143.08534	5.5
145.10078	9.7
147.11697	30.5
149.13240	24.4
157.10164	4.0
159.08205	3.3
159.11691	6.8
161.13228	7.5
163.11256	3.6
163.14891	3.7
169.07625	3.5
171.11719	5.3
173.13298	7.7
175.01546	3.9
175.14801	3.2
177.12700	3.9
187.11179	2.9
187.13367	3.4
193.33653	3.4
195.13824	4.5
207.13847	3.7
209.11467	41.3
221.15393	3.9
227.04774	4.5
227.16489	7.8
235.16898	4.1
239.17992	4.8
241.19519	7.5
259.20642	5.0
261.53741	3.3
275.20160	9.6
277.18503	5.8
277.21628	100.0
291.23157	21.2
293.21271	6.0
305.17596	6.3
307.22870	3.4
323.18506	7.7
337.02383	37.7
393.08557	10.9
413.05649	5.5
424.35101	3.6
525.17987	11.1
581.24304	74.8
619.25482	6.7
636.47833	4.4
637.30548	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	634.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.9
55.01866	8.2
55.05513	30.8
57.03431	2.2
57.07068	2.6
62.44333	2.0
65.03931	2.3
67.05179	3.6
67.05511	45.3
68.11971	2.0
69.03426	4.3
69.07072	22.1
69.96980	8.2
71.04996	4.0
73.06582	1.9
73.23477	1.9
79.05496	45.2
81.03429	7.1
81.07060	68.3
83.04979	7.1
83.08624	25.3
85.06529	4.5
91.05486	50.3
93.07040	42.7
95.04967	22.1
95.08605	31.0
97.05776	2.1
97.06539	10.0
97.10162	9.9
105.04532	2.3
105.07040	44.4
107.04963	17.4
107.08601	33.2
109.06526	15.2
109.10152	14.9
111.04413	2.8
111.08079	6.6
117.07041	17.1
119.08579	32.7
121.06529	6.9
121.10152	28.5
123.08063	9.1
123.11705	5.4
125.09620	8.2
129.07014	7.5
131.08594	23.9
133.06470	3.0
133.10133	24.7
135.08070	8.0
135.11699	13.2
137.09627	7.1
139.11145	3.0
141.06978	2.2
143.08559	7.9
145.10130	24.4
147.08054	6.3
147.11694	18.2
149.09630	18.2
149.13281	5.9
151.11198	3.1
153.09160	3.5
155.08522	3.4
155.44467	2.1
157.10124	7.7
159.11703	16.2
161.09592	3.6
161.13257	7.2
163.11182	19.8
165.12761	5.5
169.10181	2.5
171.11696	6.0
173.09624	3.7
173.13293	6.4
175.11171	5.4
175.14882	4.9
177.12785	3.9
179.14320	5.4
183.11690	3.9
185.13278	2.5
187.11205	4.6
187.14856	2.9
189.78033	2.0
191.10637	2.2
192.32915	2.3
193.12288	3.4
197.13284	5.0
201.16550	2.4
203.12738	6.6
203.14470	2.9
205.12239	3.1
229.19533	4.1
231.17305	2.3
233.15291	2.3
237.14803	6.1
238.31361	2.2
239.17883	7.6
247.20570	3.2
257.19009	16.3
259.20752	3.6
263.16443	2.2
273.18500	6.4
275.20081	100.0
277.21661	7.7
289.18152	2.1
289.21582	5.1
291.19528	10.3
293.21085	4.0
305.21219	14.1
305.24112	2.3
307.22693	41.1
345.15146	2.4
427.28040	2.1
581.41949	2.9
616.45135	2.3
634.47375	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	634.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
55.01876	5.2
55.05516	30.4
57.03415	5.5
60.23753	2.7
64.85870	2.8
65.03928	4.5
67.05178	3.8
67.05511	61.4
68.05012	7.8
69.06729	3.2
69.07072	41.5
71.05033	7.0
71.05425	4.8
79.05071	5.1
79.05498	77.8
80.80267	2.7
81.03413	9.2
81.07059	71.8
83.04979	9.3
83.08616	14.7
85.06532	3.9
85.47211	2.8
90.64233	2.6
91.05488	71.4
93.06475	6.2
93.07047	100.0
95.04962	22.1
95.08611	58.4
97.06532	14.9
97.10173	9.6
105.07030	52.5
107.08601	48.0
109.06511	10.1
109.10160	15.3
111.08076	6.3
117.07050	14.5
119.08582	39.1
121.06495	5.9
121.10155	42.8
123.08055	11.1
123.11674	7.7
125.09653	7.5
129.07065	6.1
131.08525	17.5
133.10155	29.8
135.08012	10.5
135.11723	35.7
137.09584	6.3
137.13280	5.3
143.08571	6.5
143.44368	3.3
145.10124	18.1
147.11694	26.5
149.09608	11.8
149.13268	9.0
157.10097	5.5
159.11703	19.1
161.09602	4.4
161.13261	14.0
163.11180	10.0
163.14795	5.7
171.11751	14.5
173.13258	8.0
175.11182	5.2
175.14854	6.6
177.12700	3.8
184.13307	7.4
189.12726	5.7
193.12221	5.0
205.12207	4.5
207.13799	12.8
225.14871	5.4
239.16312	8.4
247.20299	4.1
259.20493	3.8
275.20050	26.1
277.21652	22.9
291.20288	3.8
291.23190	20.1
307.22623	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	634.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01870	5.9
55.05513	31.0
57.03441	2.7
57.07068	1.3
65.03918	2.2
67.05506	32.8
69.03426	1.9
69.07069	20.7
70.73234	2.3
70.73594	1.9
71.04990	4.8
71.68163	1.0
75.21509	1.0
79.05495	31.8
81.03418	6.1
81.07059	40.7
83.04980	8.1
83.08622	23.8
85.06528	3.4
91.04896	1.6
91.05482	36.0
93.07044	43.5
95.04974	23.2
95.08608	27.3
97.06538	8.9
97.10167	9.3
99.08054	1.2
100.02054	1.2
103.05444	1.2
105.07035	34.3
107.04967	13.8
107.08595	24.7
109.06516	5.7
109.10152	11.4
111.08089	7.6
117.07011	13.0
119.08585	29.5
121.06523	7.1
121.10148	23.4
123.08064	5.2
123.11715	3.5
125.09621	9.8
129.07001	5.9
130.07768	1.7
131.08578	19.2
133.06554	1.4
133.10133	27.6
135.08081	10.5
135.11707	12.2
137.09662	5.4
137.10596	1.2
139.11174	5.0
141.06969	2.9
142.07822	1.9
143.08565	4.5
145.06517	2.2
145.10130	25.4
145.11261	1.4
147.08054	4.8
147.11691	13.7
149.09622	21.9
149.13240	3.2
151.11169	5.0
153.09108	2.8
155.08551	3.3
157.10130	5.4
159.11676	12.8
161.09587	3.7
161.13228	3.4
163.11189	23.3
163.14845	1.5
165.12766	4.7
169.10121	4.6
171.11694	5.0
173.09637	3.9
173.13275	6.7
175.11165	3.7
175.14807	2.0
177.12744	4.5
179.10579	1.6
181.10045	1.0
181.12155	1.3
183.11696	5.0
185.13292	2.9
187.11086	2.5
187.14787	2.6
191.10666	1.4
191.14336	2.8
193.12253	2.6
197.13223	4.1
201.12822	1.4
203.12791	6.4
205.12250	2.6
207.13770	1.7
211.14781	2.6
215.14406	1.4
215.18077	1.7
217.14339	6.2
221.15256	1.2
229.19519	3.8
231.46967	1.2
237.14798	11.6
239.17923	9.6
247.20544	2.7
257.19040	17.9
273.18503	2.4
275.20065	100.0
277.21692	3.1
289.21637	5.3
291.19495	3.1
291.22745	1.4
293.21066	3.6
297.96701	1.2
305.21130	3.2
307.22659	56.5
575.26837	1.4
634.47595	3.4
635.28717	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	633.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.9
57.07059	0.7
59.53016	0.4
61.97464	0.6
62.97948	0.4
62.98261	6.5
67.05496	1.8
69.03421	0.5
69.07051	0.6
71.56947	0.5
72.79044	0.4
77.63493	0.3
77.96955	0.8
79.05494	1.4
81.07042	1.7
82.09401	0.4
83.04993	0.4
83.08620	0.7
88.93145	0.4
91.05475	1.7
93.07026	1.9
95.04977	1.0
95.08607	1.4
97.06562	0.7
97.38104	0.4
103.98505	0.8
105.07030	2.2
107.04939	0.4
107.08601	1.6
109.06541	0.5
109.10146	1.3
117.06993	1.0
119.07762	0.3
119.08543	2.1
121.10144	1.3
123.08075	1.1
125.64676	0.4
131.08542	1.2
133.10143	1.5
135.08083	0.5
135.11722	0.4
143.08559	0.8
145.02396	1.0
145.10120	1.2
147.08044	0.5
147.11684	0.5
149.09630	0.7
150.76172	0.5
151.07556	0.8
157.10121	0.7
159.11642	0.6
161.09521	0.5
161.13290	0.7
163.11160	0.5
165.09081	0.7
167.10770	0.4
171.11671	0.7
172.95323	0.5
173.13248	0.7
181.12244	0.5
184.07281	0.6
185.13318	0.8
187.14847	0.5
195.11617	0.7
208.14500	0.5
221.15324	0.9
234.16104	0.4
241.11711	0.6
269.11267	3.7
317.20901	1.2
320.15997	0.5
321.18076	6.5
337.16711	1.2
338.16916	1.4
339.19089	100.0
340.19345	0.7
356.17899	0.7
357.18542	0.7
357.24799	0.7
380.21780	0.9
451.85291	0.4
453.16986	0.6
471.18283	1.1
492.02786	0.4
524.24841	0.4
597.37750	4.2
615.39575	1.5
633.41565	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	632.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.01877	12.7
55.05510	42.2
57.03438	2.9
59.04987	3.7
65.03931	1.9
67.05505	44.5
69.03432	4.5
69.07072	22.1
71.04989	5.1
79.05494	42.4
79.05956	2.7
81.03413	6.4
81.07059	72.0
83.04967	13.9
83.08620	23.1
85.02888	4.6
85.06548	4.5
87.04464	2.1
91.05478	33.3
93.07049	36.0
95.04968	15.8
95.08603	28.9
96.08959	1.7
97.02871	2.0
97.06541	8.2
97.10172	32.9
101.06116	1.7
105.07034	24.4
105.13339	1.7
107.04948	19.1
107.08596	32.5
109.06510	18.0
109.10164	18.6
111.04459	8.7
111.08080	7.4
117.07033	14.0
119.04914	2.0
119.08591	32.6
120.14188	1.6
121.06508	16.7
121.10156	17.4
123.08047	15.1
123.11704	3.1
125.09631	29.8
128.06244	1.9
129.07063	8.7
130.07774	1.8
131.08560	22.9
133.06506	5.1
133.10130	14.6
135.08078	13.2
135.11700	10.9
136.64931	1.7
137.09619	7.0
139.11142	2.0
141.06996	2.9
143.08604	9.7
144.83722	1.8
145.06448	2.3
145.10123	24.1
147.08049	15.7
147.11688	8.0
147.19269	1.7
149.09627	13.4
149.13306	2.2
150.09978	1.6
151.11156	2.4
153.09138	7.8
153.12773	3.9
155.08563	3.9
155.10670	2.2
157.10149	9.5
159.08052	4.9
159.11650	10.6
161.09622	13.1
161.13316	1.9
163.11171	16.9
165.09097	4.0
169.10205	5.1
171.11699	6.5
173.09641	5.2
173.11798	6.8
173.13283	5.9
175.11180	5.5
176.20300	1.6
181.10213	2.0
181.12225	6.1
183.11659	2.6
185.13306	4.0
187.11174	3.5
187.13435	1.9
189.11270	2.6
189.12863	2.7
191.10652	10.6
191.14334	3.3
195.11719	2.3
197.13255	2.7
199.11212	2.2
201.12769	2.4
203.12758	19.2
203.14243	2.1
207.13831	2.6
221.15294	2.7
223.13353	7.0
227.12726	11.0
227.17950	3.7
229.65417	1.7
237.14668	2.2
245.18953	4.9
249.14899	2.1
255.17505	5.1
257.19128	8.8
273.18509	41.4
275.20059	53.1
287.20007	1.9
291.16794	1.3
291.19547	63.3
293.21176	15.9
305.21118	100.0
323.22079	14.0
512.25226	8.4
523.20441	4.9
530.48132	1.7
537.22424	5.7
538.22931	71.8
539.23187	4.2
547.37622	3.0
555.23810	2.7
556.23981	35.3
557.24072	1.9
565.38763	4.1
570.25293	3.0
582.21899	16.2
583.39716	2.7
588.26678	27.3
597.41528	5.4
614.24530	22.4
615.42267	3.7
632.25574	72.4
633.25745	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	632.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91303	1.4
53.03952	7.6
55.01872	12.7
55.05513	92.7
57.03434	8.9
57.07067	3.2
59.04992	6.8
61.63350	1.4
65.03913	3.6
67.05506	100.0
69.03450	7.3
69.07069	18.6
69.93814	3.6
69.94198	3.5
70.64227	1.4
71.01352	5.5
71.04978	5.0
73.02913	4.1
79.05071	2.2
79.05497	32.7
81.03423	20.4
81.06585	2.5
81.07056	44.3
83.04993	15.2
83.08143	2.9
83.08620	44.6
85.02911	28.7
85.06519	3.6
87.04466	10.9
89.06035	1.8
91.05483	26.8
93.07045	18.1
95.04988	10.3
95.08605	18.2
97.02872	4.6
97.06530	5.8
97.10175	80.8
98.09674	5.8
99.04472	1.5
99.08102	1.8
101.83762	1.8
103.03932	2.9
103.05481	1.3
105.07031	11.6
107.04935	5.8
107.08590	24.1
109.06497	4.4
109.10162	74.2
111.04408	4.2
111.08058	6.7
111.08770	1.3
113.09546	1.5
115.62598	1.4
117.07010	4.6
119.08590	15.3
121.06501	2.7
121.10172	7.7
123.08031	6.8
125.09635	80.0
127.03933	3.1
129.06995	3.0
131.08542	7.8
133.06477	2.1
133.10141	5.1
135.08035	4.2
135.11737	9.4
137.09604	6.4
139.11182	2.1
143.10658	7.0
145.10147	10.3
147.08014	3.9
147.11716	3.8
149.09648	6.1
153.12750	3.2
155.08615	1.8
155.10655	10.7
157.10156	3.4
157.12241	6.5
161.13283	1.7
163.11186	14.3
165.09067	2.5
173.09615	3.2
173.11749	64.2
175.11179	3.7
181.12234	4.4
187.13277	9.9
191.10681	3.7
193.12267	8.7
199.13341	2.2
209.11685	7.1
221.15372	2.3
225.14876	3.0
227.12773	7.1
260.26364	1.7
266.66681	1.7
273.18439	2.1
275.19913	1.9
295.47144	1.5
305.21121	3.6
531.45874	1.8
632.42499	2.2
637.52399	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32296	1.8
50.54581	1.8
53.03942	4.9
55.01863	9.8
55.05512	89.9
57.03431	8.4
57.07074	2.9
59.04991	6.9
67.05507	100.0
69.03427	7.5
69.07068	22.6
70.04253	2.1
70.60477	3.9
70.60818	3.4
71.01357	6.7
71.04983	5.7
73.02917	6.4
79.05495	32.4
81.03413	14.2
81.07053	39.5
83.04990	12.0
83.08620	39.3
85.02911	26.1
85.06548	7.0
87.04480	12.9
91.05479	19.0
91.96097	2.0
93.07044	18.4
95.04974	8.8
95.08609	19.4
97.02940	3.6
97.06544	7.9
97.09545	3.6
97.10172	69.0
98.09684	6.8
103.03956	2.9
105.07010	12.3
107.04973	5.3
107.08595	25.5
109.06568	2.5
109.10158	76.3
109.20695	2.1
111.08067	5.5
117.07054	4.3
119.08580	19.3
121.10153	8.7
123.08092	6.9
125.05988	2.3
125.09635	74.8
125.10559	3.7
129.07013	5.4
131.08569	7.2
133.10168	6.6
135.08014	3.9
135.11693	7.9
137.09613	6.7
139.11165	2.6
142.19417	2.4
143.10664	6.0
145.10124	12.0
147.08043	3.9
147.11646	3.3
149.09645	3.8
153.12709	4.0
155.08609	2.6
155.10669	9.6
157.10107	3.9
157.12238	5.6
163.11151	17.1
165.04701	2.5
173.09610	4.8
173.11746	64.8
181.12204	5.9
187.13310	15.0
191.10612	4.5
193.12224	7.5
199.13170	3.4
209.11766	9.5
216.56526	2.1
221.15413	4.3
223.13249	2.6
227.12790	5.0
632.42706	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	632.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01865	3.0
55.05500	4.8
56.19732	0.9
57.03432	4.7
61.02927	24.3
67.05507	14.0
69.03436	8.7
69.07059	2.5
69.71700	4.5
69.72105	1.9
71.04978	4.1
73.02916	7.5
77.40070	1.0
79.05490	16.9
81.03418	17.5
81.07062	14.3
83.04973	2.3
83.08630	6.6
85.02909	21.3
85.06568	1.3
91.03951	11.6
91.05487	22.0
93.07050	16.4
95.04966	6.6
95.08610	6.6
97.02893	18.0
97.06541	2.5
97.10181	1.4
99.04456	2.2
101.02417	1.8
105.07029	12.9
107.04951	6.0
107.08586	11.1
109.06548	1.8
109.10157	6.3
111.08085	2.5
115.03951	1.0
115.05490	1.7
117.07030	3.7
119.04917	7.5
119.08611	8.8
121.06492	2.3
121.10159	13.1
123.04446	5.7
123.08041	2.1
125.09621	1.5
127.03913	2.8
129.06985	5.5
131.04955	1.8
131.08571	10.9
132.09349	1.8
133.06503	10.0
133.10138	7.4
135.04393	9.3
135.08112	1.5
137.05975	34.9
137.09625	2.4
139.11201	1.7
143.04868	1.1
143.08562	1.3
145.04967	1.1
145.06477	6.2
147.04413	14.7
147.08084	5.4
147.11688	6.6
149.06001	7.9
149.09616	14.4
155.08557	1.3
157.06502	4.4
157.10106	5.1
159.08066	5.4
161.05978	33.0
163.03860	1.1
163.07559	7.3
164.07076	1.8
165.05496	1.5
165.12787	1.3
167.82501	1.1
169.06425	1.0
169.10103	1.1
171.08105	5.0
173.05991	15.9
173.09622	1.7
175.07570	13.1
175.11133	7.4
179.07086	1.3
183.08134	2.2
185.05965	1.5
185.09705	1.2
187.07565	21.4
187.09224	1.9
188.08325	1.5
189.09099	7.3
191.07047	1.2
193.12245	10.1
197.09647	2.0
199.07549	8.3
201.09109	7.3
203.07076	1.7
205.08643	2.1
209.09628	1.1
211.13298	5.7
213.09207	2.5
215.10635	2.3
217.08643	2.2
221.89037	1.1
225.12767	1.5
227.10809	1.2
241.14447	1.5
243.13878	1.6
257.15356	7.0
266.69135	1.1
267.13757	3.4
267.16074	4.7
283.16989	1.9
285.14896	25.9
293.15451	1.4
301.17941	2.4
302.17444	7.6
303.15955	14.6
311.16406	9.4
327.13156	3.0
328.13531	3.0
329.17484	12.5
336.90619	1.0
341.17572	2.9
346.20450	1.8
347.18536	2.6
359.18430	5.5
362.83215	1.1
376.21170	3.3
377.19568	3.8
385.20193	2.5
394.22314	7.6
403.21170	32.6
420.23837	28.9
421.22394	2.0
423.13013	1.3
438.24863	40.4
452.26468	20.3
470.27475	11.6
500.89243	1.0
546.27197	3.2
547.25458	1.1
554.74591	1.2
564.28125	6.9
582.29077	100.0
600.30164	59.9
614.23303	1.1
614.31683	35.7
632.32776	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.3
55.01865	8.9
55.05513	41.2
57.03436	4.9
57.07061	3.5
58.32380	3.4
61.18974	3.6
62.25754	2.9
65.03932	7.8
65.20531	2.7
67.05173	5.8
67.05508	79.2
69.03419	8.7
69.07066	37.6
70.73904	2.8
71.04987	5.9
71.56871	5.3
73.21483	2.9
75.79866	3.0
79.05498	64.9
81.03416	6.7
81.07061	100.0
83.04971	12.4
83.08628	25.3
85.06536	12.1
91.05484	69.4
91.73723	3.2
93.07043	75.9
95.04974	15.6
95.08608	64.4
97.06535	18.4
97.10178	14.4
99.04443	4.5
105.07032	75.0
107.04951	5.0
107.08599	54.0
109.06523	14.0
109.10155	37.4
111.08087	10.2
113.58175	2.9
117.07016	30.1
119.08578	68.6
121.06468	7.8
121.10158	43.2
123.08076	17.9
123.11716	9.7
125.09608	17.7
129.06999	16.3
131.08556	42.9
133.06471	6.3
133.10139	49.9
135.08020	17.3
135.11699	24.3
137.09619	13.4
137.13242	4.5
141.07007	8.2
141.09081	3.6
142.07779	4.9
143.08548	21.2
145.10124	44.1
147.08063	9.8
147.11716	30.8
149.09624	12.3
149.13249	11.4
151.07484	4.1
151.11201	10.3
153.09142	5.4
155.08502	6.9
155.10616	3.7
157.10150	26.1
159.08076	4.1
159.11719	30.1
161.09615	6.0
161.13246	11.5
163.11206	12.8
165.09111	4.9
165.12782	5.2
167.08623	5.0
167.10677	12.7
169.10112	12.0
171.11700	18.2
173.09619	9.5
173.13260	18.4
175.11125	8.0
175.14941	5.5
177.12813	6.5
179.14354	3.6
181.10080	8.2
181.12219	9.3
183.11736	13.0
185.13240	10.2
187.14746	5.8
189.12769	4.7
191.14346	4.3
193.12230	6.8
195.11717	5.1
195.13797	4.0
197.13269	10.9
198.64508	3.5
199.14832	14.4
201.12796	6.8
203.12759	5.7
203.14490	4.2
209.13292	5.0
209.15340	4.4
211.14894	7.3
213.12743	4.2
213.16431	5.0
215.14386	6.6
221.13374	6.0
221.15492	8.5
223.14917	4.9
229.19557	4.2
233.15431	4.1
235.16931	4.5
239.18025	5.8
247.20512	4.7
249.18564	4.1
257.19089	9.2
262.29263	3.6
263.20020	6.3
273.18448	5.6
275.20084	64.5
277.21640	8.2
289.21613	34.0
291.23212	6.6
305.21118	7.1
307.22549	21.1
331.26349	7.3
613.44476	9.5
631.42712	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	631.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.0
55.01867	11.2
55.05512	43.1
57.07075	4.7
59.04969	3.4
59.73971	2.6
65.03937	6.5
67.05508	76.3
69.03421	8.0
69.07069	34.6
71.05002	4.2
71.29223	5.7
79.05067	4.8
79.05496	70.5
81.03410	4.7
81.07059	100.0
83.04984	10.3
83.08627	25.7
85.06561	5.7
91.05480	72.0
91.15498	2.9
93.07049	80.3
95.04977	15.4
95.08614	65.3
97.06580	13.6
97.10161	12.4
99.08111	6.9
105.07033	82.4
107.04974	4.8
107.08602	52.1
109.06523	12.7
109.10162	40.9
111.08097	10.4
117.07011	28.1
119.08583	69.5
121.06529	7.9
121.10147	39.0
123.08070	13.5
123.11694	14.5
123.23100	3.1
125.09653	10.2
129.07001	13.3
131.08575	37.7
133.06525	4.4
133.10132	64.4
135.08035	14.0
135.11681	20.8
137.09615	10.2
142.07814	4.0
143.08557	18.1
145.10150	35.0
147.08038	5.0
147.11723	31.9
149.09605	12.8
149.13257	9.8
151.07666	2.8
151.11203	9.8
155.08583	9.3
157.10123	20.7
159.11720	22.8
161.09645	6.0
161.13249	14.4
163.11183	8.4
163.14833	3.7
165.09142	5.0
165.12764	7.3
167.10704	5.2
169.10130	12.5
171.11697	18.5
173.09595	6.3
173.12018	3.4
173.13301	23.9
175.11253	6.5
175.14833	7.6
175.35493	2.5
177.12891	4.7
181.10040	4.5
181.12257	5.4
183.11710	10.7
185.13300	12.7
187.11226	4.9
187.14847	6.2
189.12808	6.4
193.12306	5.0
195.13844	4.5
197.13249	10.0
199.14838	6.2
201.16371	3.0
203.12764	6.8
209.13290	5.8
211.14862	4.6
213.16417	7.0
215.17949	2.6
221.15285	5.1
223.14883	4.2
225.16478	4.0
227.18111	3.0
229.19542	7.0
237.21214	3.0
239.17929	8.9
239.85507	3.0
241.19601	2.9
247.20538	4.7
257.19037	11.1
263.20215	5.8
265.21710	3.7
275.17316	4.8
275.20105	68.7
277.21655	5.6
279.23203	6.2
289.21680	32.7
291.19852	4.8
291.23206	8.1
299.20062	3.6
307.22733	19.8
331.26425	8.2
341.24863	2.8
411.85855	3.4
483.34711	3.8
563.40619	3.3
581.41644	5.6
586.85376	3.3
595.44092	4.3
613.44415	8.1
631.38550	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	631.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03581	2.1
53.02526	2.5
53.03938	4.5
55.01869	20.1
55.05514	74.4
57.03431	2.4
57.07070	3.6
62.49677	1.6
65.03934	6.1
65.20631	1.8
67.05507	100.0
69.03419	6.7
69.07070	58.9
69.80077	4.5
69.80495	7.4
71.04971	6.6
73.06549	3.4
77.03912	2.1
79.05495	66.7
79.25294	2.0
81.03406	6.0
81.07060	86.5
83.04972	11.0
83.08620	42.7
85.06525	7.0
91.05480	54.4
93.07048	64.2
95.04971	17.5
95.08608	71.4
97.06546	19.1
97.10175	57.4
99.08096	3.9
103.05453	3.8
105.07033	61.3
106.32643	2.0
107.04971	10.9
107.08596	54.8
109.06509	10.7
109.09470	3.0
109.10161	41.5
111.08079	9.2
111.11716	2.2
115.05463	4.6
116.59257	1.6
117.06341	2.2
117.07027	28.6
117.69181	1.8
119.08586	44.2
121.06557	9.6
121.10139	33.2
123.08057	8.7
123.11707	7.3
125.09635	45.7
128.06229	4.7
129.07002	19.8
130.07770	3.6
131.08572	38.3
133.06485	6.3
133.09233	3.3
133.10136	36.3
135.08058	16.6
135.11687	12.4
137.09608	9.6
137.13188	1.9
139.11142	9.0
140.92635	1.9
141.07004	8.2
142.07790	5.5
143.08563	26.3
145.06453	6.1
145.10127	35.2
147.08061	10.2
147.09090	2.0
147.11684	20.0
149.09590	11.6
149.13240	9.7
151.11171	3.4
153.09087	11.1
155.08542	14.4
155.10651	5.3
156.09296	3.5
157.06483	2.3
157.10141	23.1
157.12300	2.1
159.08072	4.2
159.11711	26.5
161.09610	6.1
161.13269	13.5
163.11162	9.5
163.14857	3.3
165.09145	2.3
165.12814	3.3
167.08533	3.9
167.10669	4.4
169.10132	14.2
171.08017	2.9
171.11678	19.3
173.09622	5.5
173.11734	9.9
173.13251	16.7
174.26126	2.1
175.11153	8.1
175.14833	6.3
177.12727	4.7
181.10101	7.2
181.12138	3.3
183.11678	15.3
185.13252	15.9
187.11172	7.5
187.13275	9.0
187.14804	7.6
189.12718	5.4
191.14331	4.5
193.10187	2.7
193.12201	5.4
195.11697	9.0
197.13231	12.9
199.11145	5.2
199.14819	6.0
201.12625	3.4
201.16290	3.0
203.12794	23.3
203.14433	2.7
207.11743	3.8
207.13777	2.5
209.13347	9.4
209.15135	2.0
211.14854	5.7
213.16412	5.6
215.14275	2.1
215.17938	2.4
217.15973	3.0
219.17310	2.0
221.13367	3.7
221.15314	2.7
223.14830	6.1
225.12798	1.9
225.14694	4.0
225.16602	3.4
227.14244	3.0
227.17903	4.7
229.15871	4.6
237.14662	3.6
239.17970	3.1
241.15891	2.8
241.19270	2.3
253.19603	4.3
255.17657	2.6
255.20998	3.1
257.18973	3.5
263.20053	2.7
265.19446	2.3
267.20984	2.4
269.19016	2.9
273.18457	6.4
275.20068	18.2
277.21896	3.7
285.22067	3.8
287.20255	3.0
289.21637	13.4
291.19809	4.6
291.23145	8.7
297.22217	2.0
299.20206	2.5
301.21631	4.6
303.19571	3.5
303.23087	9.4
305.21085	17.9
305.24390	4.0
307.22757	7.9
311.20242	3.4
313.21552	5.8
315.23026	4.5
317.21436	2.2
317.24722	5.4
325.17303	1.9
325.21655	4.6
327.23087	5.2
331.22665	2.7
333.24213	9.8
339.23224	2.8
341.24658	3.4
343.22540	2.8
345.24005	4.7
353.24713	2.2
371.25824	2.9
381.27930	4.6
395.29587	13.0
397.31094	5.5
399.28732	2.5
404.22260	2.1
411.32825	2.4
413.30463	18.6
415.32129	4.2
427.32126	5.8
431.31635	2.3
433.30725	3.8
435.32156	2.7
441.30029	3.1
451.31918	3.9
453.33578	2.6
469.32977	2.9
471.34946	2.9
473.32162	2.5
483.34952	9.1
485.36246	3.1
501.35608	13.4
513.36780	3.9
515.37054	6.7
531.37512	3.9
533.38409	2.9
549.39215	3.6
563.40625	8.7
577.42035	3.4
581.41766	7.4
595.43451	19.6
613.44733	28.7
631.44849	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	631.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
55.01877	18.4
55.05513	69.9
56.96561	4.8
57.03434	8.1
57.07092	4.3
59.05009	3.7
61.02920	3.0
65.03934	5.5
67.05505	100.0
69.03433	14.9
69.03745	2.5
69.07070	51.1
69.92197	10.2
71.04984	6.6
72.18166	2.2
75.00508	1.9
79.05491	66.3
81.03422	14.4
81.06579	4.5
81.07059	81.4
83.04996	14.0
83.08621	35.2
85.02902	7.2
85.06558	9.5
89.88524	1.8
91.05484	62.0
93.07044	71.6
95.04955	20.8
95.08607	57.8
97.02884	4.1
97.06525	21.4
97.10169	39.7
98.21450	4.3
99.04495	3.8
99.08099	2.4
100.39203	2.2
103.05426	4.1
105.04564	2.7
105.07036	54.0
107.04949	11.2
107.08596	61.0
109.06536	16.7
109.10161	45.0
111.04447	2.8
111.08079	12.1
113.09591	2.3
115.05448	3.9
117.07023	30.7
119.08589	54.6
121.06518	11.1
121.10143	34.2
123.08105	12.6
123.11715	8.5
125.09626	39.9
128.06236	8.7
129.07011	27.5
130.07820	2.9
131.08572	46.7
133.06500	6.5
133.10143	40.0
135.08038	15.5
135.11667	17.5
137.09601	10.2
139.07538	2.4
139.11183	7.2
141.06995	8.7
141.08957	1.9
142.07803	3.3
143.08565	26.1
145.06468	6.5
145.10117	39.4
147.08060	9.8
147.11684	22.2
149.09621	12.6
149.13275	8.3
151.07571	4.6
151.11162	3.3
153.06969	1.9
153.09117	6.8
153.12747	3.5
154.07787	4.2
155.08598	14.6
155.10692	5.6
156.09357	4.5
157.10130	25.8
159.08081	8.3
159.11696	23.0
161.09628	8.6
161.13277	10.8
163.11179	8.5
163.14844	2.9
167.08583	7.5
167.10605	9.9
168.09352	2.6
169.10127	20.2
171.08034	2.7
171.11688	21.5
173.09645	5.1
173.11742	10.4
173.13283	18.8
175.11201	7.8
175.14833	3.1
177.12794	4.4
178.07826	3.0
180.09367	3.3
181.10158	9.3
181.12238	2.7
182.10928	2.7
183.11719	12.4
185.09622	4.8
185.13266	9.0
187.11252	5.7
187.13298	3.7
187.14850	6.6
189.11182	4.0
189.12741	6.2
189.16347	3.0
193.10162	5.5
193.12318	6.6
194.10944	3.1
195.11731	10.8
197.09671	2.4
197.13272	13.5
199.11189	4.1
199.14851	6.1
201.12737	5.4
201.16373	2.5
203.12733	20.6
203.14259	3.5
205.10202	2.6
207.11642	3.8
208.12160	2.3
209.13240	8.6
209.15251	2.7
211.11304	2.2
211.14816	6.7
213.12776	3.6
213.16403	3.1
215.14299	4.5
217.14362	2.2
221.13330	4.6
221.15385	4.7
223.14838	6.4
225.12848	3.4
225.14822	6.2
225.16621	3.0
229.14185	2.9
233.15421	6.3
235.14883	3.3
239.18027	3.7
241.19540	3.2
245.19066	2.2
253.16068	2.3
257.19025	7.3
263.09476	2.7
269.18893	3.4
271.20502	2.8
273.18549	4.4
275.20111	17.7
281.10645	12.2
285.22150	4.1
287.20197	2.6
289.18594	3.5
289.21658	20.5
291.19592	5.9
291.23233	10.2
297.22052	2.4
299.11472	2.5
301.21671	6.2
303.23117	8.2
305.21133	15.8
307.22827	6.1
309.22058	2.3
313.21591	5.4
315.23154	5.5
317.21292	2.8
317.24597	4.8
319.22690	3.1
322.11737	15.6
325.21588	3.6
327.23148	2.7
329.24902	2.9
333.24341	9.7
339.23212	4.1
341.24615	4.1
342.62939	2.6
349.21384	2.4
351.23160	3.8
363.26489	2.8
367.22464	3.1
381.28159	2.6
385.23022	2.7
385.31525	2.4
395.29257	11.8
397.31149	4.6
413.30640	16.4
415.31073	2.7
419.29181	2.5
427.32016	3.4
429.33698	2.7
431.31717	3.3
445.32965	2.8
460.22241	28.4
460.72318	6.5
469.33344	2.4
483.34613	7.0
485.36285	4.4
487.34235	3.1
501.35751	10.8
503.38058	2.8
515.37042	4.2
531.37903	3.8
563.41278	3.4
571.21027	2.3
577.42944	2.7
581.41406	8.6
581.50684	2.1
595.36743	4.0
595.43951	19.6
603.98932	2.2
613.36481	5.7
613.45313	16.5
631.22473	4.1
631.37537	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	631.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62194	0.1
56.96427	6.5
56.96745	4.6
67.05392	0.3
67.05714	0.2
70.04795	0.8
71.95102	1.4
71.95545	0.5
72.95884	0.6
72.96330	0.3
74.97492	0.3
74.97855	0.2
79.05367	0.4
81.00116	0.2
81.06908	0.4
81.07327	0.2
83.04841	0.3
83.08463	0.2
84.95846	0.6
84.96401	0.3
91.05352	0.3
93.06932	0.4
95.04861	0.3
95.08482	0.3
97.96642	1.2
97.99068	0.2
98.97387	0.7
99.04317	0.4
101.01015	0.2
105.00002	0.5
105.06838	0.8
107.08463	0.3
109.06384	0.3
109.10030	0.2
110.97391	4.2
110.98219	0.5
112.99020	0.3
115.00581	0.2
115.97678	0.4
117.06869	0.3
117.79453	0.2
118.32828	0.2
119.01563	0.4
119.08401	0.6
121.09952	0.7
123.01017	0.5
123.07900	0.3
124.98976	0.3
126.13799	0.2
127.00489	0.3
128.98421	3.7
128.99448	0.3
131.00003	0.2
131.08446	0.2
133.10036	0.3
137.02539	0.5
142.99963	0.9
143.03722	0.2
143.08447	0.2
145.09970	0.3
146.99449	1.7
147.11554	0.2
151.04198	0.3
151.07410	0.4
152.00073	0.3
153.02055	0.2
155.03679	0.4
157.10033	0.4
159.11540	0.3
161.01031	0.6
161.04742	0.3
161.09512	0.3
161.13116	0.2
163.11040	0.2
165.08994	0.3
167.03763	0.3
167.10480	0.5
167.96043	0.2
169.05257	0.3
170.01140	0.3
171.03128	0.9
173.13126	0.2
175.02657	0.3
175.11057	0.2
181.05180	0.2
181.12067	0.3
183.11499	0.2
185.04698	0.5
185.13156	0.2
187.06261	0.2
187.14542	0.2
189.04179	0.7
189.12585	0.3
191.05765	0.3
193.08855	0.2
195.11526	0.2
197.08388	0.3
197.13190	0.3
199.06297	0.2
203.03745	0.2
203.05783	0.7
205.07361	0.4
209.04800	0.3
211.06361	0.2
215.14221	0.2
217.07475	0.3
219.08835	0.3
221.15273	0.5
223.08284	0.2
225.07993	0.2
235.06476	0.2
239.09396	0.2
247.09985	0.2
249.07907	0.4
258.11499	0.2
259.10172	0.4
263.09509	1.2
277.11139	1.7
278.11884	0.4
279.12775	0.3
286.11002	0.2
291.12659	0.8
292.13358	0.3
305.14273	0.3
310.14493	0.3
315.16385	0.9
317.17874	37.4
318.18344	0.4
319.15756	0.2
333.17432	2.3
335.18936	100.0
336.19315	1.1
353.20010	25.3
354.20462	0.3
358.20554	16.6
359.20889	0.6
371.21155	1.9
376.21576	3.2
399.23257	0.6
400.15421	0.5
429.19446	0.5
516.24823	0.2
524.60236	0.2
544.23193	0.9
571.21655	0.2
595.40356	7.8
613.41699	0.5
631.43457	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60207	0.6
52.89264	0.6
55.05478	1.3
57.03389	0.6
62.46764	0.7
63.02855	0.6
67.05505	3.3
69.03376	0.8
69.07017	2.1
71.00772	1.8
79.05431	3.0
81.07075	3.6
83.04939	1.1
89.06010	0.8
91.05423	3.1
93.06986	3.2
95.04949	0.9
95.08549	2.7
97.06473	1.4
97.10093	1.0
104.76427	0.8
105.06973	2.4
107.04917	1.2
107.08516	2.5
109.06478	1.3
109.10150	1.4
117.06972	1.1
119.08506	2.0
121.10081	1.7
123.11665	0.8
129.07007	0.8
131.08514	1.8
133.10078	2.0
143.08504	0.8
145.06425	0.9
145.10043	2.1
147.11642	1.1
149.09578	0.8
151.07509	0.8
157.10107	1.4
159.07976	1.0
159.11705	1.0
163.11055	1.1
169.10031	0.8
171.11676	1.1
175.11171	1.0
221.15334	1.3
233.15358	0.9
275.20074	1.0
287.20044	0.7
291.19833	0.8
338.98218	0.9
431.22580	0.8
433.24008	0.7
447.25467	1.7
473.81708	0.8
484.18448	0.8
491.24121	1.4
497.23495	0.9
499.20609	0.7
505.25262	0.8
508.18564	4.0
511.24622	8.2
515.24695	0.9
522.20245	7.6
527.24811	0.9
533.25726	3.4
537.22626	100.0
538.23004	1.5
540.21405	1.1
552.27051	0.9
555.23669	40.6
557.21545	1.2
569.25256	5.1
581.21545	24.8
585.24323	0.9
587.26312	34.9
599.22650	2.7
613.24176	28.1
630.44568	1.0
631.25262	99.6
632.26385	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59100	0.1
52.32267	0.1
53.03932	0.2
55.01853	0.2
55.05494	0.2
57.03414	0.2
61.02914	0.2
67.01853	0.2
67.05476	0.2
69.03425	0.9
69.07038	0.2
70.06573	0.1
71.04978	0.1
79.05476	0.2
81.03421	0.8
81.07037	0.5
83.04961	0.1
85.02903	1.3
86.09718	0.3
87.00823	0.2
91.05470	0.4
93.07043	0.3
95.04938	0.2
95.08577	0.3
97.02893	0.5
97.06522	0.2
98.97578	0.1
105.01839	0.2
105.07021	0.4
107.08550	0.2
109.02891	0.8
109.10140	0.3
111.00792	0.2
117.07079	0.1
119.08558	0.2
121.10127	0.2
127.03896	0.8
129.07008	0.2
131.04932	0.3
131.08571	0.3
137.05968	0.8
139.03915	0.3
141.06975	0.3
145.04967	0.3
145.06302	0.1
149.13245	0.2
151.03889	0.2
153.01830	23.2
157.10242	0.2
159.08067	0.2
161.06003	1.0
163.14859	0.2
164.07043	0.2
169.06396	0.2
171.02884	0.3
171.07977	0.2
174.06636	0.1
175.07475	0.2
181.04950	0.2
184.07353	0.3
185.06223	0.2
187.07549	6.2
189.05464	3.3
199.07562	0.3
201.09073	0.2
203.08566	0.2
231.08076	0.4
237.05388	0.3
239.11900	0.2
248.08353	0.2
253.04820	0.2
255.06552	0.4
259.07584	0.4
260.08356	0.2
263.10617	0.2
265.04932	0.3
267.09109	0.3
269.04425	0.2
271.06076	0.3
276.07904	0.1
281.04419	0.3
282.05225	4.7
283.05963	1.9
283.09152	0.3
287.05594	0.4
289.25342	0.2
291.10095	1.2
293.04880	0.1
293.08139	0.3
295.06033	0.4
296.06454	0.2
297.04041	0.9
298.04758	0.5
299.05453	0.3
307.06085	0.2
310.04767	2.0
311.05499	24.4
321.07516	0.4
323.05450	0.5
323.09183	0.2
323.12717	1.4
324.06335	0.6
325.07129	0.4
339.08624	22.5
340.08997	0.2
355.11905	0.2
383.11237	100.0
384.11435	0.8
407.11267	0.3
425.12314	0.6
428.16891	0.2
545.16534	1.6
551.15771	0.3
569.16724	0.3
587.17010	0.6
587.33911	0.4
595.15002	0.2
599.24048	0.2
613.15460	0.3
631.16608	5.9
631.33112	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	629.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34321	0.8
53.03929	1.0
53.33741	0.9
55.05500	2.2
56.96301	1.5
56.96565	23.1
57.03433	0.9
61.02923	1.9
67.05494	3.8
67.85631	1.0
69.07047	1.5
71.56411	1.3
71.95262	1.9
79.05474	3.6
81.03430	1.4
81.07047	2.9
83.04957	1.3
83.08621	1.1
84.96018	3.8
85.02884	2.0
91.03921	1.7
91.05456	3.1
93.07015	3.7
95.04947	2.0
95.08607	1.4
97.02862	1.1
97.06505	1.6
97.96821	1.4
98.21346	1.1
98.97581	37.5
98.98359	2.0
98.98473	2.0
99.08081	1.3
105.07024	3.4
107.04897	1.0
107.08613	2.4
109.10123	1.6
110.97557	6.1
112.98400	1.8
112.99132	25.9
116.98631	11.5
117.07047	1.1
121.06476	1.2
121.10149	1.7
124.99110	3.5
128.98564	6.0
131.00163	35.4
131.08598	1.7
133.10144	1.3
134.99643	2.5
140.00160	1.3
140.98534	2.1
143.00180	8.5
145.10081	1.2
146.99646	4.0
149.01222	27.2
149.09575	1.4
154.01729	3.7
158.99654	15.7
161.01224	6.2
167.02284	4.4
167.10649	1.2
170.99631	3.1
171.03409	1.2
172.02856	2.3
173.01183	5.5
175.02768	1.4
177.00722	16.7
185.01158	3.8
189.00670	2.2
191.02220	5.1
195.01787	1.3
199.02811	10.3
200.02309	2.4
203.02293	5.0
209.01218	3.1
215.02188	2.8
217.03816	6.6
219.01784	3.0
226.03696	1.0
227.02194	2.2
227.09503	1.1
233.03264	2.2
237.02637	2.6
240.05327	1.2
241.10979	1.6
262.35004	0.9
263.09567	3.0
275.04382	10.5
281.10535	2.3
293.05438	29.6
293.21194	2.4
294.21429	2.3
295.21783	1.9
311.06467	6.4
315.16275	31.6
316.07062	5.2
333.17358	64.9
334.07965	1.8
351.18396	27.4
352.07779	1.1
356.19058	9.2
367.24854	2.1
369.25244	2.8
374.20013	4.4
375.18280	1.8
393.19516	16.2
407.20816	1.9
513.23407	3.7
551.25201	11.9
569.26318	100.0
570.26263	1.6
629.38574	1.8
630.33551	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.0
56.96563	23.3
57.03423	1.9
61.02911	3.1
67.05500	5.3
69.03426	1.4
69.07059	2.6
71.08611	1.6
71.56841	1.5
71.95251	1.5
73.02921	1.8
74.97610	1.2
76.27081	1.0
79.05479	2.7
81.03413	1.8
81.07072	5.3
83.04984	1.1
83.08621	1.3
84.96021	4.3
85.02892	3.4
91.03950	2.2
91.05473	3.8
93.07036	4.8
95.04944	2.7
95.08595	2.6
97.02880	2.1
97.06528	2.5
98.97584	33.3
98.98356	1.6
98.98485	1.6
105.07016	2.9
107.08566	3.4
109.06514	1.5
109.10136	2.7
110.97565	6.4
112.99132	23.6
116.98620	12.1
119.08566	1.8
121.06522	1.3
121.10135	2.6
123.08028	2.0
124.99110	3.5
125.09659	1.3
128.98589	8.0
129.06981	1.1
131.00174	31.2
131.08553	1.2
133.10133	2.2
134.99625	2.4
137.05977	1.6
140.00220	1.8
140.98605	2.3
141.68094	1.1
143.00122	8.0
143.08583	1.1
145.10121	2.6
146.99643	3.9
148.55173	1.2
149.01230	26.3
152.98427	1.1
154.01776	2.2
157.10179	1.9
158.99658	14.8
161.01169	6.2
164.56799	1.0
167.02263	3.6
167.10658	1.2
169.10158	1.4
170.99638	1.8
172.02826	3.0
173.01280	6.7
175.02707	1.7
177.00726	14.5
185.01187	3.8
189.00732	2.3
191.02238	6.2
198.21481	1.3
199.02742	8.2
200.02228	2.1
203.02240	6.1
209.01266	1.9
217.03821	4.4
219.01799	4.0
221.15169	1.0
227.02277	2.6
233.03275	2.8
233.15205	1.3
237.02769	3.4
240.05338	2.0
263.09616	1.6
275.04318	6.7
281.10532	2.3
293.05435	31.8
293.21054	1.6
311.06522	7.0
315.16275	33.4
316.07120	2.7
331.15891	1.6
333.17343	61.4
334.08093	2.1
351.18420	25.0
356.18942	8.9
357.81296	1.3
367.25082	1.5
368.25128	1.5
369.25479	2.3
374.19894	2.4
375.18320	2.3
393.19525	12.4
453.21460	1.6
513.23553	4.1
551.25354	13.0
563.00061	1.2
569.26318	100.0
570.26624	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10094	0.6
53.50884	0.8
64.82758	0.7
67.05588	1.5
70.86610	1.6
76.82593	0.7
79.05605	1.0
81.07144	1.3
84.82072	0.7
89.06154	1.0
93.07185	2.0
95.08733	1.8
105.07148	1.5
109.10258	1.5
118.25896	0.7
121.10338	0.9
145.10214	1.0
172.79153	0.8
184.37796	0.7
279.56952	0.7
411.14816	2.2
424.15491	1.8
425.16138	4.3
426.16885	3.6
427.17575	1.4
438.17267	1.4
439.18076	8.5
440.18585	7.5
441.19427	2.3
442.20200	2.1
452.14151	3.7
453.15512	33.1
454.21054	5.1
455.20868	40.4
456.21271	2.1
466.16360	2.0
467.17032	34.4
468.17523	9.4
481.18536	6.5
482.19211	36.9
483.19940	2.5
485.18826	1.3
494.18695	1.3
495.20630	1.7
500.20007	1.1
508.19666	1.3
509.22076	1.8
513.21680	1.2
514.21735	2.4
523.21429	2.2
528.23871	4.2
541.24731	4.7
542.24896	0.9
553.21875	4.3
569.23969	96.4
570.24213	3.3
597.23059	2.2
600.22498	2.3
601.26550	4.0
629.25861	100.0
630.26117	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
67.05508	2.2
69.07073	1.2
79.05502	0.9
81.07069	2.4
91.05479	1.0
93.07037	1.7
95.08602	1.7
105.07058	1.3
107.08591	2.1
109.10144	1.0
119.08595	1.1
121.10133	0.8
123.11651	0.4
129.06926	0.6
131.08557	0.7
133.10149	1.0
135.11699	0.8
145.10127	0.7
147.11772	0.4
149.13251	0.6
151.11140	0.5
185.13306	0.5
185.60170	0.4
186.81876	0.5
219.01897	0.5
262.84149	0.4
275.20380	0.5
277.21573	0.9
315.19333	0.8
317.21063	0.5
333.20432	1.6
335.21860	0.9
405.15747	0.5
410.95816	0.5
487.30185	0.6
529.38910	0.6
565.70868	0.4
609.41376	1.9
627.42303	100.0
628.42395	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60791	1.9
53.03938	6.7
55.01898	10.8
55.02106	3.2
55.05270	2.6
55.05510	30.3
55.79258	2.4
56.30927	2.1
56.96564	2.8
57.03432	15.3
57.36203	1.9
61.02925	11.0
65.03948	3.1
67.05506	50.7
69.03436	10.1
69.07063	26.8
69.23068	7.3
69.23490	13.1
71.04964	4.6
71.12680	2.5
73.02908	9.5
79.05489	45.3
81.03416	14.4
81.07059	57.8
83.04970	8.7
83.08611	13.9
85.02911	12.9
85.06532	3.4
86.09708	4.4
88.88854	2.0
91.03952	6.9
91.05480	34.6
93.07041	41.5
94.07338	2.2
95.04955	8.0
95.08607	25.3
97.02912	11.4
97.06535	21.1
97.10168	17.7
98.20704	4.0
98.97565	3.1
99.04465	3.2
99.08087	2.8
105.06400	2.6
105.07043	32.2
107.04939	9.5
107.08603	31.8
109.02872	7.1
109.06494	7.8
109.10163	12.6
111.04416	3.4
111.08031	5.1
115.77425	2.0
117.07005	14.1
119.08603	22.4
121.06506	4.4
121.10113	17.3
123.11716	3.9
125.09632	15.4
127.03904	6.8
129.06967	7.2
131.08571	19.1
133.10117	18.6
135.08040	6.7
135.11699	15.6
137.05997	3.7
137.09569	3.9
140.07036	4.8
143.08548	6.7
145.04947	2.3
145.06502	2.2
145.10123	15.4
147.11658	15.2
149.09622	14.4
149.13264	11.9
157.10158	2.9
159.11693	17.4
161.13245	5.7
163.11188	7.8
169.10152	2.3
171.10139	6.9
171.11620	4.2
173.11966	2.6
173.13165	10.1
175.14807	1.9
177.12750	6.4
179.14319	4.8
181.12198	2.7
183.11761	2.9
185.13278	2.5
187.11197	2.3
187.14859	3.5
189.11292	10.5
191.00040	5.5
195.13808	4.4
205.12161	2.7
215.57549	2.3
227.12788	34.7
229.14297	5.1
229.19644	3.0
239.17943	9.2
245.13843	20.6
247.20493	4.3
253.17712	3.2
255.15909	10.0
257.18961	18.0
269.10455	2.7
269.14566	2.8
269.17477	38.1
275.20041	49.1
286.04776	2.8
293.20963	5.5
301.07053	4.7
302.17468	2.4
331.22675	3.5
349.23715	100.0
350.23969	2.5
367.24747	14.3
377.00751	2.2
403.14041	2.6
475.26636	2.3
481.17438	4.0
495.18878	15.1
521.53589	2.2
557.24396	2.2
575.25226	25.1
593.26184	7.5
628.33203	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	627.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01877	1.1
55.05517	4.7
56.96552	1.0
57.03439	3.6
61.02686	0.6
61.02932	6.1
63.41041	0.7
67.05510	10.5
69.03420	2.2
69.07077	5.6
69.62553	2.5
69.62951	1.8
70.06589	1.9
71.04994	1.4
73.02906	2.2
76.36875	0.7
79.05489	7.0
81.03415	2.4
81.06581	1.5
81.07063	30.5
83.04986	3.2
83.08631	3.8
85.02909	7.6
85.06541	2.1
86.09720	0.8
91.03952	4.2
91.04971	1.0
91.05488	9.7
93.07057	7.0
95.04962	2.2
95.08616	9.4
97.02895	3.4
97.06528	4.6
98.21479	1.6
98.97592	1.5
99.04468	1.4
99.08100	2.3
101.05998	0.9
105.07035	15.9
106.07378	0.7
106.40195	0.8
107.08601	7.9
109.06520	2.6
109.10148	1.8
113.05988	1.0
113.48484	0.7
116.15323	0.7
119.08585	13.3
121.10159	9.7
123.08056	2.2
123.11716	16.7
126.37885	0.7
127.03909	2.9
127.07545	1.6
129.07016	1.6
131.08580	1.7
133.10132	3.4
133.11089	0.8
134.10500	0.9
135.11670	1.0
137.05934	0.9
137.09526	0.8
137.13287	0.9
141.09132	0.9
145.04950	2.5
147.11699	39.9
149.09602	0.9
157.10129	2.5
161.09673	1.0
161.13258	1.1
163.06026	2.5
164.81168	0.8
165.12759	18.0
175.11249	2.2
183.13802	2.3
193.12242	1.7
203.18086	0.8
211.13232	0.8
219.01840	0.9
229.14319	5.0
267.15930	41.3
268.16238	4.5
269.17642	1.0
285.16986	100.0
286.17419	1.7
303.18216	1.0
429.34088	1.2
447.22229	1.3
447.29691	0.8
447.35275	1.4
465.11658	1.4
504.35355	0.8
604.13934	0.8
627.26788	2.4
638.08508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	16.7
61.79745	0.2
69.20327	0.9
69.20746	0.8
71.95264	3.1
72.96051	1.0
74.97614	0.9
84.96034	1.6
86.97569	0.2
89.96263	0.2
93.07007	0.2
97.96795	2.3
98.21510	0.4
98.64091	0.2
98.97596	1.2
99.98337	0.3
105.00111	0.7
109.48541	0.1
110.97569	8.4
111.98357	0.3
112.99072	0.7
115.00681	0.2
115.97825	0.9
116.98579	0.2
119.01669	0.5
123.01137	0.7
124.99058	0.6
127.00666	0.3
128.98605	8.7
129.02222	0.3
131.00134	0.3
133.98827	0.2
137.02711	0.9
139.00635	0.2
141.02202	0.2
141.99300	0.2
143.00153	1.7
143.03754	0.5
146.99654	3.3
147.03162	0.3
151.00569	0.3
151.04269	0.4
152.00217	0.9
153.02104	0.2
155.03716	0.4
157.01659	0.4
158.02448	0.2
161.01234	1.2
161.04860	0.3
165.00702	0.2
165.02162	0.3
165.04532	0.2
165.05849	0.2
167.03751	0.3
169.01686	0.4
169.05312	0.3
170.01218	0.4
170.02495	0.2
171.03267	1.6
172.04002	0.2
175.02727	0.7
175.06517	0.3
176.03435	0.2
177.04324	0.2
177.05757	0.2
179.02226	0.4
181.05307	0.2
183.03256	0.2
185.04860	1.4
188.03522	0.2
189.04381	1.1
190.05122	0.3
191.05896	0.3
193.05418	0.2
195.03392	0.2
197.04858	0.3
199.06398	0.4
201.04330	0.3
203.04173	0.2
203.05907	1.1
204.06670	0.4
207.03394	0.2
208.06219	0.2
209.04689	0.3
209.08540	0.2
211.06403	0.2
213.07852	0.2
217.05487	0.2
217.07445	0.5
219.03510	0.2
219.08994	0.4
221.04803	0.4
222.07829	0.2
223.06377	0.3
223.08308	0.2
223.10181	0.3
227.09592	0.8
231.06940	0.2
231.08911	0.2
233.04808	0.2
235.06377	0.5
235.10201	0.2
237.10020	0.3
239.09547	0.4
240.10289	0.4
241.11078	1.9
245.08423	0.6
245.10634	0.4
247.10059	0.2
249.08014	0.5
252.10338	1.4
255.12706	0.3
257.10611	0.3
259.12247	1.0
263.09555	4.4
264.10245	0.7
265.11069	0.7
270.11429	0.7
277.08167	0.2
277.11066	1.1
281.10602	0.7
285.11627	0.5
286.11331	0.2
287.09158	0.2
289.11008	0.7
299.13339	0.3
303.12677	2.2
304.12885	0.2
305.14410	0.3
313.14865	1.2
315.16302	52.8
316.16605	0.5
317.14212	0.4
321.13617	0.4
331.15790	2.6
333.17358	100.0
334.17636	1.2
335.18179	0.2
349.17145	0.2
351.18417	46.4
352.18735	0.4
354.17368	0.2
356.18967	12.1
357.19189	0.4
369.19305	0.8
374.20016	6.6
375.20505	0.3
397.21725	0.3
513.65399	0.2
517.92804	0.2
591.37164	2.6
595.54913	0.2
609.38483	0.6
627.36365	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46260	0.8
54.43424	0.7
55.05573	1.2
56.96626	1.1
63.33595	0.8
67.05597	2.5
69.07139	1.1
70.03043	0.8
70.42447	2.7
79.05586	1.6
81.07150	1.6
85.02987	1.0
91.05591	1.5
93.07137	1.7
95.08755	0.7
97.06634	0.7
99.02435	0.7
100.96186	0.7
105.07145	1.5
107.08690	1.0
109.10264	1.5
117.07185	0.8
119.08693	1.2
122.06107	1.0
131.07413	1.7
131.08661	1.1
133.10278	1.1
136.74171	0.7
138.09218	0.8
169.10373	0.7
174.09206	5.0
181.48404	0.8
187.12320	5.8
188.10938	2.2
197.10960	1.1
198.09229	1.0
199.08806	1.0
211.08739	1.5
212.09422	1.0
213.10387	1.3
215.11801	3.6
225.10248	3.7
226.09151	0.8
226.11249	1.2
227.11998	2.2
235.08780	1.3
237.10422	1.2
239.12007	3.1
241.13655	2.6
243.11296	24.6
247.98120	0.9
248.09535	0.9
249.10399	2.0
250.11014	0.8
251.11983	2.3
252.09236	1.3
253.09969	1.9
263.11935	1.0
265.09982	1.3
267.11316	6.8
269.13147	1.9
277.09879	2.2
283.39682	0.9
285.12625	1.3
290.09375	0.9
291.11432	1.9
292.11856	0.7
293.12897	1.0
295.10956	2.4
300.11810	0.7
301.15860	0.9
305.11957	0.8
309.12457	1.7
314.13126	1.3
316.11121	2.3
316.14697	0.8
319.10541	1.5
325.15536	11.6
326.13083	0.8
327.13733	2.8
328.10974	2.2
328.14636	2.0
329.11868	1.0
330.12653	3.2
331.16187	1.7
332.14020	1.2
334.15683	2.2
335.19159	1.5
336.13513	0.8
338.13174	0.9
339.14865	1.0
342.12396	4.0
343.13232	3.6
344.14233	3.1
345.14850	1.4
346.15900	2.9
348.13397	5.3
349.17078	2.9
351.13651	1.4
354.12576	0.9
355.13748	1.0
356.10379	1.3
356.13919	4.0
357.14981	2.6
358.15662	3.8
359.16455	1.8
360.17395	1.5
362.15359	1.1
370.15646	1.9
371.16858	1.1
372.17313	4.7
374.15195	1.7
384.13358	0.9
384.17612	0.9
386.14999	2.3
386.18991	2.8
400.16861	3.1
403.16275	1.8
405.17337	2.1
416.16214	1.0
418.17853	1.3
419.18607	1.7
420.16760	1.5
422.18207	2.3
428.16116	1.2
430.18011	1.3
431.18600	1.1
432.19629	4.1
433.20547	1.0
435.13922	1.5
435.18823	1.5
437.20331	2.4
446.21271	1.0
447.21820	3.1
449.20273	1.1
450.16498	1.8
451.21808	1.5
452.23114	1.2
460.18686	2.2
461.23541	2.5
462.25165	3.6
463.21283	2.8
465.18976	16.9
475.21179	1.3
477.19507	1.7
478.20135	1.9
479.20569	6.6
480.21545	5.1
481.22565	3.6
489.22998	1.7
490.20959	1.5
491.20822	1.3
492.21875	3.7
493.22937	5.1
504.21487	1.2
505.21429	0.9
507.24088	6.2
508.20901	1.6
517.22363	2.7
519.20349	0.9
520.21417	1.3
521.22534	0.8
535.23358	7.6
537.21594	1.1
549.25024	15.8
567.26068	86.2
568.26398	1.8
577.24908	2.0
595.25543	100.0
596.25928	1.9
609.27100	1.4
627.28107	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	627.2814
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.01844	0.4
56.96545	0.7
67.05496	0.8
69.64089	0.5
77.65569	0.4
79.05489	0.9
81.07073	0.9
91.05433	0.7
104.22125	0.5
105.07032	0.7
108.68621	0.5
118.06475	0.6
130.06577	0.7
131.07306	0.7
136.07588	1.4
138.09137	0.8
144.08064	0.7
145.08900	0.6
146.09613	0.7
158.09680	0.7
167.07397	0.5
172.07568	0.5
172.30632	0.5
174.09167	3.7
185.07082	0.5
187.08636	1.2
187.12303	3.1
188.10739	1.9
197.10712	0.5
198.09196	0.8
198.57645	0.4
208.09790	0.4
211.08690	1.9
211.12282	0.5
212.09395	0.8
213.10248	0.7
213.84694	0.5
215.11702	2.2
224.09453	1.0
225.10248	2.7
227.08195	0.5
227.11749	3.0
235.08759	1.2
237.06592	0.4
237.10017	0.7
238.11145	0.5
239.11731	2.8
241.13434	2.1
243.11301	19.3
249.10231	1.6
251.11952	1.5
252.09032	1.3
253.09734	1.5
263.08194	0.7
263.11734	1.0
267.11301	5.4
269.12894	2.3
276.11536	0.5
277.09857	1.4
278.94928	0.5
279.11255	0.6
285.12381	1.4
291.11194	0.7
295.10797	2.0
299.14188	1.0
301.15555	2.6
302.12900	0.5
309.12344	1.7
310.28687	0.5
311.14111	0.5
314.13010	1.5
315.16330	1.9
316.11032	0.7
316.14600	1.0
317.11630	0.7
318.12271	0.5
318.16040	0.5
319.10736	1.0
319.14203	0.6
320.14087	0.8
325.15469	6.1
327.13425	5.5
328.10892	1.5
328.14651	1.2
329.11725	1.1
329.15378	0.9
330.12411	2.2
330.15985	0.9
332.13882	0.6
333.17596	3.4
334.15570	0.8
336.13361	0.9
341.11646	0.5
342.12387	3.3
342.16098	0.9
343.13205	2.0
343.16980	0.5
344.13919	2.5
345.14752	0.7
346.15512	1.6
348.13461	2.6
351.13882	0.7
351.19937	2.6
354.12369	0.7
355.13181	0.9
356.10248	0.6
356.13925	2.7
357.14886	1.6
358.15536	3.0
368.14023	0.5
370.11505	0.7
370.15546	2.0
372.17255	3.0
373.13956	0.5
374.15103	0.7
384.13123	0.8
384.17465	0.8
385.17950	1.0
386.14609	1.0
386.18762	1.7
390.18750	0.5
398.14932	0.8
400.16751	1.8
403.16599	0.6
404.16602	0.8
407.14996	0.5
412.16336	0.7
417.17361	0.8
418.17719	0.9
419.18683	0.8
422.17587	0.9
428.15659	0.6
430.17673	0.9
431.18649	1.3
432.19299	3.6
435.14224	1.5
435.19122	0.8
436.19839	0.8
437.19763	1.6
444.18912	0.6
445.20209	0.8
447.21829	1.8
449.15109	0.6
449.20468	1.1
450.17047	1.7
451.17816	1.9
460.18503	0.9
461.23178	1.8
462.24075	2.2
463.22345	2.3
464.18848	0.6
465.18896	12.1
466.19910	0.6
476.20126	0.6
477.19763	1.1
478.20209	1.1
479.20688	4.0
480.21555	3.3
481.22116	2.5
489.22571	1.4
489.34961	0.5
490.22595	1.0
491.20914	1.1
492.21750	2.4
493.22787	3.6
494.23563	0.7
504.21262	1.8
505.20999	0.5
506.23117	0.7
507.24298	3.4
508.20889	1.1
517.22363	1.9
520.21210	0.9
521.25519	0.5
524.24371	0.7
535.23462	5.1
537.21179	0.8
539.26276	0.6
549.24896	8.5
550.23425	0.7
552.23846	0.6
553.24268	1.3
567.26050	46.4
568.26740	0.9
577.23981	1.0
581.28076	0.8
595.25488	32.0
599.28406	0.5
609.26965	0.6
609.39752	0.6
627.28107	100.0
628.28748	1.3
640.29041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70761	0.8
55.36198	0.8
67.05368	1.6
67.05685	0.8
70.03671	2.8
79.05408	0.7
79.05872	0.7
81.06943	1.2
91.05350	1.3
93.06909	1.1
95.08498	1.3
97.33871	0.8
115.22912	0.8
135.11555	0.9
232.09485	0.9
235.12218	1.8
237.13725	1.8
240.91292	0.8
249.13702	1.5
318.15854	1.6
324.14905	1.1
335.25397	0.7
337.16025	0.8
339.16040	1.0
340.17630	0.8
351.15930	1.3
352.17630	1.7
353.17883	3.5
354.18884	2.1
363.16095	1.1
364.17163	0.9
365.17538	2.0
366.18933	1.5
367.15143	1.5
367.19580	3.6
368.20444	0.8
369.16873	1.2
379.19016	2.7
380.19943	1.0
381.16281	1.4
381.20605	3.0
382.17734	1.2
383.22589	3.5
393.21118	1.2
395.18262	3.4
397.20447	3.6
407.18304	1.3
408.19089	1.7
409.20505	4.4
409.24551	0.9
410.20993	2.3
411.22021	4.8
412.22513	2.2
421.20093	1.7
422.21405	1.7
423.21664	3.2
424.22958	1.3
425.19580	8.8
435.22049	1.2
437.18509	1.4
437.23328	2.7
438.20566	2.3
439.21353	5.2
439.79053	0.9
440.22314	5.8
452.21820	1.1
453.23059	4.1
454.24371	2.4
455.25449	1.0
465.22864	1.1
467.24823	1.2
468.25302	1.2
469.21295	1.3
469.26498	2.4
470.23083	2.8
481.21832	1.8
483.24741	3.5
493.22723	1.3
495.23865	1.7
496.24622	1.2
497.26346	15.1
498.26465	5.5
509.25089	2.3
510.26242	1.1
511.23364	1.5
525.24835	3.5
526.26007	3.4
541.20062	0.9
541.28143	13.7
551.26501	1.8
583.29095	16.9
584.26312	9.7
585.27051	100.0
586.27734	1.8
599.28119	1.2
627.28137	73.7
627.42108	3.7
654.84717	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01874	6.9
55.05497	2.0
57.03423	4.1
61.02914	6.2
63.18417	1.3
67.05506	1.7
69.03430	18.4
69.07056	1.4
70.06583	5.5
70.06932	1.5
70.46773	4.1
71.04990	3.6
73.02908	3.9
79.05481	3.5
81.03423	12.4
81.07067	3.7
83.04965	1.5
84.08131	1.5
85.02909	48.4
87.00832	19.8
87.04464	2.8
91.03931	3.6
91.05477	8.7
93.07036	4.7
95.04951	2.6
95.08579	3.1
97.02893	16.8
97.06531	5.7
98.97574	2.3
99.04459	7.6
103.03957	1.9
103.05457	3.1
105.01859	15.2
105.07011	4.2
107.04961	3.4
107.08560	1.5
109.02890	12.2
109.06551	2.6
115.03921	3.9
117.01891	1.8
119.04935	7.4
120.08068	1.9
121.06506	2.2
121.10078	1.4
122.03638	2.9
127.03914	21.9
129.07004	4.8
129.26164	1.3
131.04916	6.0
131.08606	2.3
133.06500	2.7
133.10139	1.9
135.08040	2.5
137.05983	57.1
145.04959	10.8
145.06454	1.3
149.05965	4.7
151.03897	6.2
151.07550	36.6
157.06453	4.8
159.02864	7.9
159.08049	1.8
161.06012	11.3
163.07533	22.0
164.06938	2.2
165.09113	2.2
167.08543	3.7
174.06735	3.1
175.07570	8.1
177.09096	23.3
185.00092	1.2
189.09108	13.5
191.07063	1.9
193.10118	2.5
195.08063	6.5
195.10181	3.2
203.06944	2.1
205.10266	2.1
207.10155	2.5
209.08124	3.7
212.08333	2.2
219.04967	2.9
219.08121	2.0
219.10162	3.6
221.05899	2.5
221.09599	4.1
221.11716	5.1
223.07533	5.7
227.10703	9.5
231.04965	4.6
231.10094	2.3
249.09035	1.7
249.11247	4.5
253.08702	4.3
253.12282	7.5
255.10226	9.1
261.11386	2.1
265.08728	1.8
267.10220	3.4
269.07993	2.4
277.08621	1.5
281.11728	2.4
285.11261	8.1
287.12793	15.7
291.09677	2.2
293.11627	1.9
293.51974	1.7
297.11148	5.2
299.12891	7.6
301.07190	4.4
302.07397	5.0
302.17487	1.9
305.11954	1.8
309.11185	3.8
311.12967	11.1
313.14325	13.7
321.11169	1.8
323.12891	1.8
325.14227	3.8
331.15411	100.0
337.14154	1.4
341.13824	3.0
343.15396	32.0
353.13922	2.2
355.15390	7.7
365.13828	1.8
367.10831	1.7
367.15359	5.2
397.16357	4.7
403.15302	4.2
421.16571	12.0
428.29877	3.3
439.17477	7.1
447.90771	1.5
525.17218	4.6
543.18671	8.4
561.19525	5.9
588.88477	1.8
626.19635	1.6
626.33240	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.01875	9.3
55.05263	2.2
55.05514	23.4
57.03442	7.3
57.07083	1.7
59.05018	1.8
65.03954	1.3
67.05507	44.7
69.03426	2.5
69.07064	23.9
69.84859	2.1
69.85258	3.6
71.04975	3.0
75.23126	1.1
79.05495	30.8
80.05872	1.4
81.03423	2.8
81.07053	42.2
83.04987	4.7
83.08618	13.5
83.27678	1.2
85.06551	2.6
86.09700	1.6
91.05480	30.1
91.06017	2.1
93.07047	31.2
95.04974	5.3
95.08607	26.2
95.09175	2.3
97.06528	11.0
97.10164	10.7
99.08085	2.7
104.10751	3.1
105.07027	27.8
107.04966	3.4
107.08587	22.3
109.06528	2.7
109.10146	17.2
110.50163	1.2
111.08090	3.3
115.05499	1.2
117.07020	17.3
119.07775	1.0
119.08578	27.1
121.06567	2.9
121.10139	8.4
123.08112	1.7
123.11729	7.7
125.09633	8.7
128.06212	2.8
129.07011	13.5
131.08583	23.9
133.10133	19.1
135.08058	2.8
135.11667	6.3
137.09628	1.7
137.13260	1.6
141.07018	4.9
142.07808	3.8
143.08578	19.1
145.10126	21.8
147.08110	1.6
147.11681	12.7
147.20454	1.1
149.09645	4.0
149.13300	3.7
151.11209	1.8
153.06999	1.8
153.09151	1.3
154.07788	1.9
155.08549	13.5
156.09377	2.5
157.10123	18.7
158.10960	2.3
159.08066	1.3
159.11691	15.7
159.12865	1.4
161.09674	2.0
161.13217	8.4
163.11183	3.5
163.14821	1.6
165.12787	1.2
167.08600	4.1
168.09322	2.1
169.10147	15.9
171.10243	2.1
171.11674	17.4
173.09668	1.9
173.11920	1.9
173.13281	9.7
175.11263	1.2
175.14865	2.8
177.12715	1.4
179.08658	2.8
179.14302	1.8
181.10173	7.5
182.10912	2.5
183.11670	15.6
184.07364	1.3
185.13264	12.8
187.11301	1.5
187.13359	2.6
187.14865	5.0
189.11232	2.9
193.10165	3.2
195.11697	10.3
196.12488	1.4
197.13275	12.9
199.14751	6.3
201.12697	1.5
201.16463	2.4
207.11786	3.6
209.13326	6.7
211.14842	5.8
213.12608	1.3
213.16425	6.1
215.17979	2.1
221.13234	3.6
223.14882	4.3
225.16347	5.9
227.12817	4.8
227.18002	3.4
233.13208	1.3
235.14745	2.7
237.16393	4.1
239.18044	4.5
241.19423	5.7
243.15955	3.7
251.17978	2.6
253.19669	2.4
257.19028	2.7
259.15152	1.4
259.20471	6.2
267.21246	1.6
273.18680	1.4
275.20053	6.9
291.19669	1.8
297.22131	1.5
305.22815	1.2
310.93869	1.3
315.22983	1.4
321.22183	2.1
323.23776	1.4
329.09232	1.5
333.24243	5.2
339.23322	1.7
349.23892	5.5
365.28214	8.3
367.25967	1.5
370.39212	1.2
381.11826	1.2
381.27661	2.1
381.31851	2.9
383.29407	3.2
421.31116	4.8
439.32349	2.6
445.30255	1.4
495.34943	2.3
513.35602	17.7
515.39209	6.9
533.39893	9.0
551.40948	5.8
553.38922	2.1
589.42523	3.7
607.43591	43.6
625.44604	100.0
626.44971	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	625.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73448	1.1
53.03948	3.2
55.01874	11.1
55.05261	1.9
55.05514	25.9
57.03444	6.0
57.07083	2.5
65.03941	2.5
67.05506	43.2
69.03431	2.5
69.07069	19.2
71.04992	4.2
71.56950	1.7
74.40275	1.0
74.47332	1.1
79.05497	33.0
81.03409	2.6
81.07060	40.3
83.04979	3.7
83.08620	12.8
85.06550	2.7
86.17631	1.1
91.05485	27.8
93.07050	30.5
95.04971	4.2
95.08614	30.0
97.02873	1.2
97.06535	9.5
97.10184	12.8
99.08118	1.6
100.41343	1.2
105.04542	1.6
105.07034	33.5
107.04951	2.7
107.08598	22.8
109.06509	4.3
109.10165	16.6
111.08096	2.9
115.05447	2.1
116.06168	1.2
117.07040	13.0
119.08590	22.5
121.10147	11.2
121.10944	1.5
123.08096	3.3
123.11707	8.8
125.09617	8.5
128.06250	4.8
129.07007	15.7
130.07796	1.2
131.08575	19.4
133.06511	1.3
133.10150	17.9
135.08084	1.9
135.11699	8.7
137.13263	1.6
137.40965	1.1
141.07022	6.9
142.07788	4.1
143.08574	19.5
145.06447	1.5
145.10123	21.6
147.08109	2.6
147.11682	12.5
149.09634	5.7
149.13260	5.4
151.11252	2.1
153.07005	2.1
154.07793	1.9
155.08559	12.5
156.09392	1.9
157.10135	20.0
159.08054	1.6
159.11711	17.2
159.12904	2.1
161.09592	1.1
161.13278	8.4
163.11230	1.3
163.14871	2.4
165.07040	1.4
166.07802	1.6
167.08588	4.6
168.09358	2.1
169.10150	17.6
170.10876	1.2
171.11716	17.0
173.11884	2.3
173.13246	9.4
175.11336	1.3
175.14857	3.3
177.12830	1.5
179.08672	1.9
181.10141	9.3
182.10902	2.2
183.11700	17.2
185.09628	1.3
185.13249	13.5
187.11293	1.6
187.13307	3.4
187.14873	5.1
189.11249	3.6
189.12833	1.6
193.10106	2.9
195.11702	8.7
197.13287	13.8
199.14809	8.3
201.16438	3.5
207.11734	4.8
209.13292	9.2
211.14841	10.1
213.16467	4.0
215.14491	1.4
215.17926	1.3
219.11671	1.9
221.13312	2.7
223.14908	4.1
225.16466	5.9
227.12798	4.9
227.18086	3.2
231.17506	1.4
235.14877	3.5
237.16458	4.1
239.18027	3.4
241.19557	3.9
243.15947	3.3
243.27422	1.4
249.16495	2.6
251.18007	1.5
253.19670	1.7
257.19061	2.3
259.20660	4.6
263.18054	1.9
265.19525	1.8
267.20981	1.4
275.20090	8.3
277.22073	1.5
279.21371	1.3
283.20483	1.7
285.22171	1.2
286.72510	1.2
297.22131	1.4
309.22162	1.7
313.21552	2.0
313.25116	1.3
315.23166	1.4
321.21701	1.3
333.24365	5.0
349.24155	4.7
363.27170	1.8
365.28461	9.6
367.26514	1.8
381.32043	1.7
383.29523	1.9
403.30188	2.2
408.17255	1.2
421.31180	4.5
439.32217	4.2
495.35001	2.7
511.37823	2.2
513.35773	17.2
515.38940	6.8
527.36847	2.1
533.39850	10.5
537.35675	1.5
551.40662	5.1
555.36920	2.3
589.42065	2.6
607.43597	53.6
625.44604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34978	1.0
53.03948	3.1
53.22215	0.9
55.01875	8.3
55.05269	1.3
55.05516	22.6
57.03427	4.2
57.07060	2.2
59.05008	1.1
63.97100	0.8
65.03929	2.0
67.05508	37.7
69.03442	2.0
69.07071	19.6
69.90153	4.9
71.04981	2.8
79.05500	28.3
81.03436	1.1
81.07059	37.1
83.04976	3.7
83.08622	10.8
85.06538	1.6
86.09717	2.1
91.05488	25.9
93.07052	23.7
93.32044	0.9
93.54826	0.8
95.04963	4.1
95.08611	25.2
96.03076	0.9
97.06533	8.2
97.10163	9.6
99.08097	1.5
103.05473	0.9
105.04523	1.3
105.07036	25.1
107.04973	2.1
107.08601	20.6
109.06544	2.6
109.10162	14.8
111.08099	3.0
113.09655	0.9
115.05453	1.4
116.06201	1.0
116.24148	0.9
117.07024	13.8
119.08589	22.4
121.06561	1.2
121.10158	8.5
123.08034	1.7
123.11713	8.2
125.09649	7.5
128.06175	4.4
129.07019	13.6
130.07776	2.3
131.08578	22.9
133.06516	1.9
133.10132	16.0
135.08063	2.0
135.11723	5.8
137.09625	1.1
140.14403	1.2
141.06970	5.2
142.07819	2.7
143.08566	16.5
144.09337	1.7
145.06627	1.2
145.10141	17.2
147.08072	1.1
147.11697	8.5
149.09669	2.7
149.13269	2.0
151.11259	1.6
153.06947	2.0
154.07736	1.0
155.08565	15.1
156.09299	2.3
157.10136	19.5
159.11700	12.6
161.13242	6.7
163.11183	3.1
163.14841	2.1
166.07820	1.5
167.08562	5.2
168.09364	2.0
169.10130	13.5
170.10892	1.0
171.11682	16.3
173.11848	1.4
173.13246	8.5
175.11218	1.5
175.14810	3.1
179.08551	2.3
181.10172	7.6
183.11710	12.6
185.09720	1.1
185.13251	9.4
187.13303	2.3
187.14856	4.0
189.11238	3.2
193.10185	2.8
194.10880	1.2
195.11726	7.1
197.13240	9.1
199.14859	6.3
201.16495	2.2
207.11696	3.3
209.13297	7.2
211.14870	8.0
213.16383	4.4
221.13376	3.0
223.14810	4.9
225.16342	4.5
227.12695	5.0
227.18016	3.0
229.19524	1.4
235.14934	2.8
237.16385	3.1
239.14270	1.2
239.18008	2.8
241.19562	4.2
243.15932	3.9
249.16452	2.4
251.18106	2.2
253.19550	2.6
257.19067	2.3
259.20560	5.2
263.17911	1.2
265.19717	1.8
275.20157	5.3
277.19327	1.2
279.20953	1.2
283.20572	1.1
283.36786	1.0
285.21967	1.9
287.20160	1.0
297.22171	1.2
311.23660	1.2
313.21829	1.0
315.23447	1.3
327.23441	1.6
333.24451	3.1
337.25348	1.4
341.24863	1.6
349.24069	2.9
363.26654	1.3
365.24423	1.1
365.28323	5.5
375.26825	1.0
377.28586	1.3
379.30157	1.3
381.31631	3.3
383.29486	3.0
389.28223	0.9
395.29379	1.2
421.31213	4.0
433.31293	1.5
437.34607	1.1
439.32153	3.8
439.46457	1.0
495.34848	3.0
497.37680	1.4
499.34262	1.4
511.37943	1.1
513.35748	16.7
515.38770	6.1
527.37384	1.3
533.39972	9.1
537.35889	1.1
551.41168	7.5
589.42590	2.2
597.43250	2.1
607.43585	40.1
608.44659	1.2
625.44641	100.0
626.45001	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01871	6.5
55.05516	21.6
57.03438	6.4
57.07072	2.5
65.03948	2.9
67.05507	38.8
69.03432	1.6
69.07072	20.1
69.37406	6.8
69.37752	1.2
71.05001	4.3
77.03919	1.0
78.81961	0.8
79.05497	26.1
79.05959	1.4
81.03415	1.4
81.07057	38.9
83.04996	3.0
83.08612	11.0
85.06562	2.7
91.05482	26.4
91.77973	0.8
93.07047	29.2
95.04978	3.4
95.08609	26.5
97.06544	8.0
97.10169	10.4
99.08131	1.2
99.85642	0.9
103.05486	1.0
105.04543	1.6
105.07034	25.8
106.81136	0.9
107.04977	3.3
107.08598	20.9
109.06526	3.7
109.10150	14.2
111.08100	2.8
115.05458	2.4
117.07028	13.1
119.08585	21.3
121.06562	1.0
121.10147	10.9
123.08100	2.3
123.11681	6.5
125.09630	7.6
128.06223	2.7
129.07001	13.2
129.66821	0.8
130.07799	2.4
131.08571	21.3
133.06413	1.1
133.10130	18.3
133.11079	1.2
135.08076	2.4
135.11691	6.9
137.09628	1.7
139.11195	1.8
141.06960	5.3
141.99347	0.8
142.07817	3.8
143.08557	17.5
144.09325	1.3
145.10130	19.6
147.08078	1.2
147.11708	9.0
149.09625	3.7
149.13301	3.1
151.11214	2.1
153.12764	1.0
154.07803	1.9
155.08575	11.1
156.09418	2.6
157.10133	15.7
159.11685	12.4
161.09682	1.5
161.13234	5.9
163.11263	3.0
163.14810	1.2
164.42346	0.9
165.07056	2.0
165.12830	1.1
166.07834	1.5
167.08542	5.0
168.09398	2.4
169.10132	15.1
170.10945	1.2
171.11691	15.7
173.09695	1.7
173.11900	1.4
173.13272	8.5
175.11227	1.1
175.14931	2.3
178.07848	1.2
179.08640	1.1
179.14275	0.9
179.24536	0.8
180.09418	1.5
181.10135	5.3
182.11012	1.0
183.08173	1.2
183.11694	14.5
183.38174	0.8
184.07408	0.9
185.13261	11.8
187.13292	1.6
187.14850	3.7
189.11336	4.2
189.12801	1.5
191.14368	1.0
193.10217	2.5
195.11732	8.9
196.12560	0.9
197.13280	10.9
199.11272	1.3
199.14839	8.3
201.16422	1.5
203.14212	0.9
207.11792	3.4
209.13304	7.4
211.14790	7.1
213.12865	1.6
213.16489	4.2
215.14410	1.3
219.11795	1.2
221.13365	3.2
223.14818	5.1
225.16357	4.3
227.12672	4.1
227.18027	2.1
233.13295	1.4
235.14885	3.0
237.16341	4.1
239.17877	5.0
241.19577	3.9
243.15982	2.7
243.21162	1.2
247.14870	1.3
249.16406	2.6
251.17900	3.0
253.19698	2.1
255.17479	1.0
255.21222	1.3
257.19113	2.6
259.20493	5.9
265.19409	2.1
267.21158	1.2
269.19046	1.1
275.20172	6.5
277.21896	1.7
279.20981	1.7
285.22037	1.0
295.20535	0.9
309.22208	1.6
315.23315	1.7
323.23886	1.4
331.22876	1.3
333.24396	3.9
333.64700	0.9
339.23331	1.1
349.23840	4.1
363.26883	1.3
365.28329	7.3
381.31696	2.1
383.29468	1.9
389.28159	1.1
391.30243	1.4
399.11673	1.0
403.30127	1.4
421.31140	3.5
435.32703	1.5
438.12967	0.8
439.32288	3.1
445.31238	1.0
495.34494	2.2
513.35876	20.4
515.38794	7.1
527.37256	1.7
533.40063	9.7
551.41010	5.3
555.36963	2.7
589.42487	3.0
597.45154	1.2
607.43561	41.5
608.44281	1.6
625.27155	3.7
625.44641	100.0
626.26337	0.9
626.44714	1.8
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
53.03939	3.1
55.01869	7.4
55.05511	23.4
56.96576	1.6
57.03436	6.9
57.07074	2.9
59.05006	1.2
61.02925	1.8
61.26826	1.4
65.03939	2.1
67.05505	46.2
69.03429	2.3
69.07067	22.2
71.04995	5.1
71.56512	1.6
79.05494	29.9
81.03419	3.1
81.07053	38.6
83.04967	5.7
83.08630	11.6
85.02936	2.3
85.06539	2.6
91.05479	35.4
93.07043	34.8
95.04977	4.5
95.08607	28.5
97.02900	2.1
97.06534	9.5
97.10169	10.8
98.97622	1.5
105.07026	30.5
107.04967	3.5
107.08590	22.2
107.09290	1.5
109.06525	4.7
109.10163	17.7
111.08087	3.0
115.05434	2.9
116.06213	1.3
117.07015	15.6
119.08583	24.0
121.06567	1.5
121.10146	11.0
123.08108	2.7
123.11704	7.0
125.09645	5.5
128.06268	5.4
129.07022	11.0
131.08574	21.4
133.06491	1.4
133.10118	15.7
135.08057	2.5
135.11697	7.1
137.05972	2.2
137.09612	2.5
139.11229	2.6
141.07018	5.4
142.07787	3.6
143.08560	14.5
145.10098	19.4
147.08076	2.1
147.11690	12.9
149.09641	5.4
149.13290	3.5
151.11140	1.4
153.07045	2.5
154.07777	2.8
155.08537	10.2
156.09320	1.2
157.10143	18.0
159.11676	14.3
161.09621	1.6
161.13307	5.7
163.11192	1.5
163.14824	1.7
165.07085	1.3
167.08630	3.4
168.09329	2.0
169.10127	14.8
171.11691	14.9
173.11877	2.1
173.13301	9.3
175.11192	2.0
175.14885	2.8
179.08595	3.6
181.10143	6.3
182.10907	1.8
183.11717	15.4
184.07385	1.8
185.13293	10.3
187.11179	1.9
187.13330	1.9
187.14720	6.1
189.11230	2.6
189.12820	1.7
189.16454	1.8
193.10187	3.2
193.85080	1.3
195.11755	6.7
197.13245	11.0
199.14816	8.5
201.16489	1.9
207.11781	4.1
209.13263	7.5
211.14752	7.4
213.16481	5.9
215.18097	2.5
221.13272	3.0
223.14909	4.3
225.16461	5.3
227.12733	1.8
235.14845	2.3
237.16425	3.7
239.18082	4.9
241.19638	4.8
243.15919	1.9
251.17992	2.1
253.19481	1.8
257.19260	1.9
259.20688	4.2
269.10822	1.7
271.20636	1.7
275.20190	6.0
277.21918	1.8
283.20752	1.7
297.22247	1.7
315.23300	2.4
323.23465	1.4
333.24283	1.3
337.25479	1.9
349.23798	3.6
363.26822	1.6
365.28616	5.0
367.17999	4.0
379.30331	2.6
381.31665	2.4
421.31058	3.4
431.23950	4.1
439.32092	2.6
495.35788	1.5
497.37607	1.5
499.34518	1.8
513.35718	11.5
515.38879	6.2
527.37531	2.2
533.40039	10.0
551.40973	8.8
569.41632	1.4
589.41858	3.3
593.24359	1.5
597.45007	2.0
607.43524	43.9
608.43518	2.0
625.44641	100.0
626.45270	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
56.99720	0.4
59.06123	0.4
67.05505	1.1
69.88745	2.0
75.78930	0.4
79.05485	0.6
81.07066	1.0
83.08617	0.6
91.05502	0.8
93.07030	0.8
95.04996	0.8
97.10173	0.4
105.07021	0.7
107.08592	0.6
107.63124	0.4
109.10143	0.6
119.08589	0.5
131.08588	0.7
145.10138	1.0
147.11827	0.6
148.29218	0.4
157.10103	0.4
163.71835	0.4
253.33795	0.4
291.19559	1.2
315.19492	1.4
333.20413	2.7
346.38611	0.4
418.32013	0.5
448.17905	0.5
453.35855	1.7
487.30417	1.4
527.33130	0.4
607.41675	0.6
625.40723	100.0
626.40997	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27604	3.5
53.03938	7.4
55.01878	26.5
55.05510	24.2
57.03428	6.7
57.07087	4.2
59.04995	3.2
60.84222	3.3
67.05508	55.0
67.58419	3.5
69.07072	75.6
71.08596	4.0
71.56906	4.3
74.26047	3.7
79.05502	48.9
79.09205	3.0
81.03403	3.3
81.07057	66.1
83.04994	8.5
83.08618	12.0
91.05486	63.2
91.17991	3.0
93.07043	45.3
95.01318	6.1
95.04984	9.3
95.08607	43.5
97.06539	37.6
97.10173	9.8
99.08108	3.8
105.06379	6.3
105.07040	66.4
107.04945	18.4
107.08588	32.3
107.79183	4.5
109.10152	14.9
111.08093	4.6
117.07040	27.2
119.08588	48.2
121.06538	4.1
121.10146	14.4
123.08046	7.0
129.07001	13.4
131.08585	33.7
133.10135	45.3
135.11707	13.4
137.09642	5.0
141.07022	8.7
142.07803	6.7
143.08549	23.1
143.79285	3.3
145.10130	35.3
147.11711	27.2
149.09677	7.8
149.13298	6.0
151.11183	5.6
152.08905	3.4
155.08533	11.1
156.09312	4.0
157.10152	22.9
159.11699	24.8
161.13263	21.6
163.11192	6.7
163.14920	3.6
167.08525	7.5
169.10109	12.1
171.10345	7.3
171.11703	27.8
173.13318	14.0
175.14815	16.7
177.12747	6.1
179.14307	4.1
181.10138	8.8
183.11703	15.3
185.09648	5.6
185.13200	16.2
187.11148	4.2
195.11694	10.9
195.13489	3.7
197.13275	10.6
199.14865	13.3
201.26195	3.4
209.13283	5.1
211.14870	6.2
213.16461	7.3
223.15009	5.9
227.18030	4.1
233.98857	3.6
235.14963	5.5
237.16333	5.9
239.17934	6.6
241.19531	15.3
251.17966	4.0
257.19019	8.4
259.20584	30.8
275.20108	45.2
293.20941	5.3
298.64050	3.6
315.23434	4.5
323.23669	5.0
333.24188	27.9
349.19843	7.0
349.23669	40.4
435.32492	10.7
437.34143	16.2
493.36511	4.8
501.35706	5.3
511.37857	17.9
513.35498	7.8
515.39233	4.3
527.37262	8.4
529.39026	8.6
533.39557	11.5
551.41150	6.5
597.45148	4.1
607.43951	81.2
625.44617	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1762
Annotation	Isoscoparin 4'-O-glucoside
Peak:m/z	Relative Intensity
55.05513	0.7
55.50392	0.5
56.70844	0.5
56.96556	1.3
57.03439	1.3
61.02919	1.8
64.75475	0.5
67.05495	1.5
67.67387	0.5
69.03419	2.3
69.07062	1.7
69.85642	1.0
69.86054	2.0
70.06590	1.8
73.02927	0.9
79.01865	0.5
79.05479	1.6
80.12101	0.5
80.92696	0.6
81.03420	1.6
81.07042	1.1
83.08655	0.6
84.08128	0.7
85.02917	4.2
86.09718	1.0
87.04468	1.4
91.03960	0.9
91.05498	3.0
95.04990	0.7
97.02896	2.6
97.06526	5.6
98.06893	1.4
98.97600	2.3
99.12682	0.6
105.07027	1.6
107.08585	0.8
107.45681	0.5
109.02903	1.5
109.10155	0.8
118.99802	0.6
119.04953	0.5
119.08540	0.6
121.10095	0.6
127.03906	0.9
133.04971	0.7
133.10127	0.6
136.76778	0.5
137.02327	2.5
137.05977	6.6
138.06355	2.0
145.04956	1.2
147.04404	0.7
149.06020	1.2
151.03922	7.9
151.56194	0.5
158.99538	0.7
161.06030	0.7
165.01892	1.3
175.07619	0.7
177.01935	0.8
189.05537	0.7
189.09192	0.9
190.09558	0.6
192.04088	0.6
197.11801	1.5
217.04921	2.6
221.05028	0.7
233.11780	4.0
234.12012	3.0
237.02783	1.0
239.08727	0.8
243.02985	1.4
243.06660	1.5
245.04784	1.7
250.14421	6.1
251.12723	1.4
251.14923	3.8
252.13245	1.2
261.03922	2.0
268.15448	0.6
269.15543	0.8
270.05261	0.7
271.05902	1.3
272.06793	1.9
273.07672	0.6
282.05182	0.6
283.06110	0.8
283.15454	1.5
285.07513	0.6
286.04721	1.9
286.08368	1.8
287.05423	0.9
295.06018	0.9
296.06519	0.6
297.07669	0.5
298.04736	8.6
299.05624	1.8
300.06238	4.3
301.07050	4.5
305.10806	1.0
310.04742	2.6
310.08276	1.2
311.05518	3.3
312.06287	4.7
313.07056	37.5
314.07843	10.2
314.11307	0.8
324.06293	2.7
325.07031	10.7
327.08624	6.5
328.05765	12.6
328.09424	1.0
337.07153	2.2
338.07840	5.0
339.08676	2.0
340.05722	1.4
341.06573	2.2
343.08133	58.8
344.08224	0.6
352.05774	1.8
353.06412	1.2
353.10229	8.7
355.08151	6.2
357.09683	0.8
366.07541	0.7
367.08130	15.0
373.09125	4.6
379.08090	1.8
381.09918	4.8
385.09149	1.9
391.08099	1.1
395.11288	0.7
397.09271	7.4
409.09195	8.2
421.09198	0.6
427.10251	16.3
439.10092	1.0
445.11340	20.7
451.10156	0.7
455.12091	0.7
457.11316	1.8
463.12366	100.0
487.12198	2.3
493.10757	0.7
505.13382	0.8
511.12277	1.1
541.12805	0.6
553.13184	0.9
571.14606	1.2
589.15717	0.8
607.15979	0.8
625.16785	2.4
625.26831	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1765
Annotation	Rhamnocitrin 3-glucosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
53.03933	0.9
55.01870	0.9
57.03420	2.2
61.02919	2.7
65.74493	0.5
67.05490	1.8
69.03435	3.0
69.07048	0.8
69.46326	3.0
69.46727	1.3
70.06589	1.5
71.04980	0.7
73.02917	1.1
79.05469	2.1
81.03416	2.9
81.07029	1.3
83.27206	0.6
85.02912	9.1
85.06594	0.6
87.04461	0.7
87.35633	0.6
91.03942	1.7
91.05471	1.8
93.07037	1.5
97.02901	4.0
97.03423	0.7
97.06518	2.7
98.97566	1.1
99.04459	1.1
101.02378	0.7
107.04910	0.6
107.08566	1.2
109.02881	2.1
117.07047	0.6
119.04907	0.8
119.46358	0.6
121.10130	0.9
124.54129	0.6
127.03901	1.9
137.02319	0.9
137.05966	0.9
141.01930	0.7
145.04965	1.4
145.10129	0.7
149.05968	2.9
151.03922	7.4
163.03850	0.7
165.01814	5.3
167.03374	1.3
169.12280	0.6
171.10468	0.6
175.03938	1.3
177.01881	1.0
177.05479	0.8
181.12283	0.6
183.02875	2.2
189.01851	0.8
191.03397	1.0
195.02879	1.5
203.03418	0.9
207.02798	0.8
209.11699	1.8
215.03426	0.6
227.12915	1.2
229.04868	1.0
233.04532	1.5
234.12166	0.9
243.02869	0.9
245.04710	1.2
250.14369	1.1
254.05779	1.1
257.04459	0.7
258.05194	5.9
270.05157	0.9
270.16977	0.7
271.06003	1.3
282.05209	2.4
283.15384	3.4
285.03851	0.7
286.04730	27.1
295.05975	0.9
296.06760	5.4
297.07590	3.0
298.04742	11.6
298.07990	0.7
300.06339	2.8
301.07068	100.0
309.07513	1.7
310.04739	4.4
310.08359	3.0
311.05966	0.7
311.09027	3.8
312.06311	1.8
313.07056	78.4
314.07578	3.8
320.06540	1.3
322.04764	1.6
323.05527	1.1
323.09161	1.2
324.02585	1.1
324.06268	12.0
325.07059	14.8
325.10669	1.5
326.07584	0.9
327.05408	0.7
327.08612	3.6
328.05838	10.7
335.08966	0.8
336.06287	3.0
337.07028	7.5
338.07831	7.1
339.05042	1.1
339.08643	12.1
341.06372	0.9
343.08130	57.4
348.06461	1.4
349.06970	0.9
350.07800	1.0
351.08698	4.1
352.05664	1.6
352.09509	1.4
353.06247	0.9
353.10162	11.7
355.08093	13.7
363.08545	2.7
364.05692	2.0
365.10468	1.4
366.07367	2.2
367.08124	41.9
376.05579	1.4
379.08081	13.6
380.08221	0.7
381.09781	4.5
385.09085	3.5
391.08130	8.5
393.09616	1.2
394.06720	1.5
395.11224	1.6
397.09204	24.8
403.07803	0.9
405.09833	1.7
409.09171	24.6
421.09235	4.5
427.10278	19.9
433.09369	2.9
439.10211	6.2
445.11328	35.4
447.10751	0.7
451.10123	3.7
457.11176	6.0
463.12390	24.5
469.11322	3.4
475.11496	1.2
487.12381	13.3
505.13626	4.1
511.12491	4.4
529.13464	3.3
541.13550	4.2
553.13269	2.7
559.14368	2.5
571.14484	6.0
589.15765	5.1
607.16479	5.0
625.16595	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82456	1.3
57.03436	1.9
60.51107	1.1
69.79082	1.2
70.95218	2.4
81.03433	1.5
85.02912	4.6
97.02903	1.6
99.02277	1.4
103.03957	2.1
107.04958	1.9
109.02895	3.0
121.02878	2.2
121.52641	1.2
137.02342	5.0
149.05952	6.3
151.03911	23.6
151.04996	1.4
163.03828	1.6
173.02386	2.0
175.03944	3.0
177.01859	2.1
177.05579	1.2
179.03438	2.1
187.03995	1.8
189.01872	7.2
191.03383	3.1
195.02916	3.1
201.01837	2.5
203.03381	4.2
204.77257	1.3
207.02904	5.0
215.03485	2.3
217.04961	3.5
219.02913	4.2
227.03339	1.7
229.04933	5.2
231.02927	2.5
233.04321	3.0
243.02837	1.9
243.06244	1.3
255.02927	4.2
279.94559	1.6
281.04422	1.7
282.05563	1.8
283.06070	2.2
284.06970	1.8
285.03955	1.8
293.37756	1.4
295.06235	1.7
296.06717	2.9
298.08435	3.4
301.07275	3.4
309.04163	2.1
309.07544	3.5
310.04712	8.0
310.08517	3.7
311.05637	1.9
311.09192	3.4
312.06290	4.0
313.07095	5.6
322.04651	6.5
322.08237	2.8
323.05466	5.0
324.06235	21.1
325.07089	66.6
326.07712	5.6
327.08597	4.4
334.08301	2.2
336.06335	8.7
337.07065	40.4
338.07779	11.7
339.08743	10.9
340.05780	5.4
343.08139	6.0
348.06198	2.5
349.07120	4.0
350.07941	5.7
351.08646	20.3
352.05658	5.6
352.09329	6.8
353.06543	1.8
353.10367	4.6
355.08127	89.5
361.06943	2.3
362.07733	3.4
363.08487	7.7
365.06458	2.5
365.10242	12.5
366.07138	6.0
367.08118	56.8
367.12735	2.7
369.09570	1.9
375.08530	2.7
376.05695	2.4
377.10303	8.1
379.08139	30.3
381.09793	19.9
383.07758	1.7
385.09201	21.0
387.08676	2.0
390.07315	2.6
391.08069	15.7
391.12372	1.9
393.09714	7.2
395.06992	2.1
395.11337	12.7
397.09109	5.7
403.08139	4.2
405.09634	9.4
409.03714	2.6
409.09195	47.9
415.08130	2.8
417.09811	1.8
419.11258	3.7
421.09180	30.8
423.10837	3.2
431.11893	1.9
433.09219	20.6
439.10263	40.0
445.09207	5.3
447.11243	2.2
451.10297	22.6
457.11316	34.4
463.10388	3.1
469.11295	26.7
475.12280	7.6
487.12363	100.0
493.11072	4.6
505.13382	20.2
511.12436	22.1
517.11090	2.7
523.12292	3.0
529.13507	22.6
535.12415	5.7
541.13464	25.3
553.13489	21.4
559.14459	12.6
571.14569	29.4
589.06958	2.2
589.15442	24.8
607.16486	18.9
625.17944	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01797	0.4
55.05441	0.6
56.96476	4.7
56.96790	1.2
58.99798	0.6
59.83348	0.3
67.05411	0.8
67.05733	0.3
69.06965	0.9
69.07299	0.4
71.26169	0.5
71.26498	0.3
71.95206	0.6
71.95560	0.3
72.95982	0.3
73.12872	0.3
77.00803	1.3
79.05425	0.6
81.06954	1.0
81.07394	0.3
85.02825	0.4
91.05362	1.2
91.05855	0.3
93.06906	0.9
95.01885	0.7
95.04892	0.3
95.08497	0.7
97.02776	0.3
98.97457	1.2
98.98016	0.3
103.03159	0.3
105.06919	1.0
107.04923	0.4
107.08479	0.7
109.06427	0.4
109.10040	0.3
110.97564	1.9
116.98563	0.7
117.06890	0.6
119.08473	0.7
121.10081	0.4
128.98604	1.8
131.00130	0.6
131.08455	0.4
133.09949	0.4
137.72952	0.3
139.00586	0.5
141.78041	0.3
142.99950	0.5
143.08409	0.4
145.09967	0.4
146.99545	0.6
149.01067	0.3
151.00510	0.5
153.02158	0.7
155.08388	0.7
157.10072	0.4
167.03644	0.8
167.05304	0.3
169.06969	0.4
171.03156	1.6
171.04741	0.5
173.06435	0.7
181.05257	0.7
181.06932	0.7
183.03242	0.4
183.04820	0.3
183.08554	0.5
185.04849	3.6
187.08028	1.0
189.04230	0.4
195.06766	0.3
197.10109	0.4
199.06441	5.5
199.08118	0.3
201.09650	0.7
203.05951	2.9
205.01608	0.9
205.07291	1.2
207.03087	0.4
207.04965	0.8
208.04024	0.6
209.04649	0.4
209.06381	0.6
210.01871	0.6
211.06230	0.8
213.05865	0.4
213.07785	0.6
213.09645	0.6
215.11116	0.7
217.07481	4.5
219.03314	1.8
219.10583	0.5
221.06647	0.5
221.10106	0.5
222.07930	0.4
223.02592	1.4
223.06219	0.4
223.08331	0.7
226.04951	1.1
227.11220	0.7
229.07190	0.4
229.09140	0.5
231.06856	0.5
231.08853	0.7
237.04356	3.2
237.07831	0.5
237.13243	0.4
238.04985	0.5
239.11186	1.1
249.07925	0.6
251.05743	0.5
251.11256	0.4
253.11040	0.9
255.05319	0.7
255.08762	0.5
255.14308	0.4
257.12344	0.5
258.04019	0.4
262.08511	1.3
262.10538	0.9
263.11472	1.4
264.11737	0.4
267.08981	2.3
279.08856	0.9
280.09604	3.1
281.12122	1.2
285.09808	0.8
289.14453	0.5
291.18024	1.5
295.15384	0.5
297.09698	0.5
298.10669	1.3
303.17975	0.4
305.13940	0.5
307.15894	2.2
309.18900	0.5
313.16504	2.9
315.18179	1.9
331.15430	23.8
332.16107	0.3
333.19113	13.7
349.16782	100.0
350.17188	0.9
354.18979	0.7
356.20572	1.4
367.18051	2.1
372.18399	12.0
472.92999	0.3
533.41211	0.3
605.36737	4.0
623.36414	55.2
624.36279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01870	0.9
55.05514	4.4
56.96553	0.8
57.03435	2.5
58.57784	0.4
61.02919	4.3
62.46111	0.5
65.03935	0.8
67.05505	14.6
67.44594	0.5
69.03416	1.6
69.07062	4.0
71.04979	0.9
71.56506	1.0
71.56857	0.7
73.02906	1.8
73.06518	0.5
77.03920	0.9
79.05495	24.7
81.03445	3.5
81.07057	13.1
83.04978	4.2
83.08620	3.1
84.04475	0.6
84.04989	0.5
84.08147	1.1
85.02917	5.0
85.06535	1.5
91.03960	4.2
91.05483	18.3
93.07043	26.2
93.49630	0.5
95.04964	5.4
95.08606	7.8
97.02905	3.4
97.06538	2.5
97.10150	2.0
98.97493	0.7
99.04434	0.7
103.05457	0.6
105.04430	0.5
105.07032	12.5
107.04935	1.1
107.08600	5.5
107.09841	0.5
108.28679	0.5
109.02866	0.6
109.06516	2.5
109.10159	2.7
111.08064	0.9
117.07020	2.8
119.08578	8.0
119.36147	0.7
121.06533	1.0
121.10161	2.5
123.08048	2.6
123.11845	0.7
127.03908	1.8
127.07574	1.0
128.06226	0.9
129.07004	7.3
131.08574	1.9
131.65277	0.5
133.06487	0.6
133.10132	4.2
135.08127	0.6
135.11647	1.0
143.08578	3.0
145.04953	1.4
145.10126	4.3
146.60796	0.5
147.08014	1.8
147.11685	15.9
151.07518	0.6
159.11685	0.7
161.09637	1.4
161.13246	5.3
163.06041	1.9
163.11244	1.1
165.09146	0.5
171.11687	10.5
189.12744	4.3
207.13771	7.8
239.16339	0.7
240.16701	1.0
257.76447	0.5
281.17474	100.0
299.18573	3.1
321.24161	0.8
331.12247	0.9
623.25500	0.8
623.34644	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01861	0.9
55.05511	5.4
57.03439	3.9
61.02924	2.6
63.82681	0.5
65.03925	0.8
67.05507	13.7
69.03415	1.3
69.07079	4.0
70.15616	1.4
71.04984	0.8
73.02903	1.4
74.79565	0.4
79.05495	19.5
81.03418	3.8
81.06590	0.9
81.07054	13.0
83.04982	6.1
83.08617	1.8
84.08117	1.4
85.02909	4.3
85.06553	0.8
91.03974	2.4
91.04909	0.7
91.05484	15.1
93.07045	18.0
95.04974	6.0
95.07991	0.4
95.08607	9.0
95.09193	0.3
97.02884	2.2
97.06543	2.5
97.10157	1.9
99.04472	0.4
105.04523	1.1
105.07034	11.7
107.04931	1.8
107.08595	5.4
109.06496	1.5
109.10129	1.7
111.08060	0.5
117.07027	2.6
119.08590	7.6
121.06487	1.2
121.10136	1.8
122.95863	0.5
123.08061	2.2
123.11700	0.8
125.05983	0.6
127.03908	1.2
127.07529	0.5
128.06206	0.9
129.07021	4.9
130.07811	0.6
131.08580	1.1
133.10146	4.1
135.11671	1.2
143.08575	2.9
145.04984	0.9
145.10112	3.3
147.08070	0.8
147.11684	10.8
149.09660	0.6
155.20532	0.4
159.11624	0.5
161.09644	1.6
161.13237	4.6
163.05988	1.0
171.11676	8.4
186.10054	0.5
189.12727	3.7
194.71606	0.5
207.13818	6.0
211.74226	0.5
281.17477	100.0
282.17801	1.3
303.23148	0.6
321.24335	0.5
350.23877	0.4
361.20148	0.7
368.16129	1.0
374.31204	0.7
425.21671	1.1
443.22922	2.3
447.27121	0.5
623.33514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
55.05510	2.5
62.30650	0.3
65.03932	0.3
67.05511	4.2
69.03426	0.4
69.07079	2.2
69.20679	0.3
71.04998	0.5
71.56863	0.4
79.05499	3.3
81.07054	4.1
83.04966	0.6
83.08607	0.9
91.05493	3.8
93.07042	2.8
95.05000	0.5
95.08607	2.1
97.06558	0.8
97.10182	1.1
105.07018	2.1
107.08598	2.5
109.10160	1.0
111.08159	0.4
116.40427	0.4
117.07040	1.5
119.08604	1.6
121.06537	0.4
121.10136	1.0
123.08089	0.4
125.09657	1.5
128.16068	0.3
129.07027	1.0
131.08586	1.7
133.10135	1.9
135.08090	0.6
135.11713	0.6
141.06993	0.5
143.08571	1.1
145.10156	1.5
147.11708	1.0
149.09625	0.7
155.08644	0.9
157.10178	1.3
159.11745	1.2
163.28244	0.4
167.08572	0.5
168.09291	0.3
169.10182	1.7
171.11761	1.1
173.13220	0.4
181.10129	0.5
183.11714	0.9
185.13350	0.7
189.11256	1.3
193.10106	0.4
195.11713	0.5
197.13338	0.8
199.14928	0.4
207.11696	0.4
209.13277	0.7
239.18027	0.5
275.20200	1.6
291.19586	0.8
332.72144	0.4
379.30246	0.4
389.17871	1.0
390.18246	0.6
400.07172	0.4
401.17743	0.4
402.18704	0.8
403.14990	0.7
403.19476	1.1
404.20306	1.0
405.20764	1.5
415.19168	1.0
416.20056	1.1
417.17148	1.7
417.21072	1.4
419.22516	4.5
429.16940	0.6
430.17578	0.6
431.18726	2.8
431.23056	1.5
432.19363	1.2
433.20016	2.2
435.21890	0.7
443.18591	3.1
444.19711	1.3
445.20206	7.3
446.21130	3.5
447.22159	4.5
449.23389	1.3
457.20471	1.0
458.21179	0.7
459.21649	2.6
460.22284	0.5
461.19666	1.2
462.20636	1.4
463.21506	1.7
473.23956	0.8
475.21021	1.9
476.22043	4.5
477.23007	5.4
478.23856	0.6
489.22815	1.6
490.24091	0.5
503.24783	0.8
505.22385	0.6
516.92358	0.4
521.21832	1.0
525.36084	2.1
531.24237	0.5
533.25568	13.0
545.25214	1.1
561.24640	0.5
563.26581	14.7
564.26910	0.7
565.28064	0.7
593.27435	3.6
595.29260	0.7
605.27301	1.3
605.41797	1.7
623.28693	100.0
623.43140	7.9
624.28290	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81361	0.4
64.38501	0.4
67.05506	0.6
68.08287	0.4
69.07063	0.6
69.51303	2.5
79.05476	0.5
81.07036	0.6
87.91734	0.4
93.07033	0.5
95.08616	0.5
133.10092	0.4
146.05963	0.6
172.04034	0.5
196.09940	0.4
220.49828	0.4
246.90854	0.4
276.17868	0.4
315.19342	0.8
316.62595	0.4
323.19641	1.1
331.18866	0.7
376.17303	0.5
377.17819	0.6
389.17752	0.9
390.18546	0.4
391.19296	1.2
401.17673	0.6
402.18512	0.7
403.19675	0.6
404.20187	0.6
405.16565	0.8
405.20959	1.6
406.21683	0.8
407.22339	0.8
417.17010	1.3
418.17606	0.7
419.18591	2.1
419.22583	1.9
420.23416	0.5
421.24078	2.4
429.16592	0.6
430.17505	0.6
431.18729	1.6
432.19504	1.1
432.80341	0.4
433.19669	2.6
434.21048	1.1
435.22122	1.0
443.18365	0.6
444.19742	1.2
445.20218	3.1
446.21140	1.8
447.17249	1.0
447.22681	3.3
448.22888	1.8
449.23431	4.7
450.23935	0.6
457.20276	0.9
458.20999	1.3
459.21881	3.5
461.20065	2.4
462.24524	0.6
463.21420	1.7
475.20523	1.9
476.21982	5.3
477.22842	4.6
489.23203	2.7
490.23343	0.8
493.22058	0.5
501.23590	0.6
503.24673	1.1
507.27765	0.5
519.23438	0.6
521.21918	0.7
533.25580	3.2
535.27264	4.3
545.25647	1.7
547.27203	0.6
548.24365	0.6
563.26526	17.9
564.26910	0.5
573.25769	0.5
591.25580	0.8
593.27557	0.5
595.28857	0.8
605.27826	2.9
606.28571	4.2
623.28754	100.0
623.39069	9.8
624.29163	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.4
67.05489	0.7
69.07056	0.4
79.05491	0.4
81.07073	0.8
83.91912	0.2
91.05462	0.3
93.07050	0.5
95.04970	0.3
95.08637	0.5
99.44270	0.2
101.93029	0.2
104.07255	0.2
105.07050	0.4
107.08553	0.3
109.06500	0.3
109.10197	0.5
115.53858	0.2
119.08598	0.4
133.10118	0.3
137.22829	0.2
149.13260	0.3
209.10811	0.2
213.36514	0.2
225.13834	0.3
234.11772	0.2
275.20197	0.6
277.16147	0.2
277.21729	0.5
293.21274	0.5
295.22580	0.3
314.60526	0.2
327.76889	0.2
356.27710	0.3
377.17944	0.4
379.19714	0.2
387.16302	0.3
388.17175	0.3
389.17908	0.6
390.18842	0.4
391.19257	1.0
392.20123	0.3
400.17102	0.3
401.17615	0.7
402.18753	0.7
403.19482	1.4
404.20071	0.8
405.21103	1.7
406.21582	0.4
407.22327	1.0
415.19855	1.2
416.20016	0.6
417.16898	1.0
417.20941	1.2
418.17050	1.0
419.17709	0.4
419.22739	2.7
420.23218	0.8
421.24033	0.3
429.16510	0.5
429.21524	0.5
430.18033	1.2
431.17691	1.6
431.23029	1.0
432.19394	1.0
432.24225	0.3
433.20200	4.8
434.20929	0.7
435.22125	0.4
443.17920	1.2
444.19186	1.7
445.19727	3.0
446.21274	2.3
447.21902	3.7
448.22751	1.2
457.20593	0.7
458.20898	5.6
458.26663	0.4
459.21716	4.1
460.22864	3.9
461.19684	0.5
462.20618	0.5
463.21188	1.9
465.23370	0.3
471.22211	0.4
472.22733	0.5
473.23273	0.9
475.20712	1.3
476.21741	1.5
477.22986	1.5
478.23730	0.3
485.23630	0.7
486.24374	0.3
487.24734	0.7
489.23306	0.4
490.23508	0.6
491.24789	0.4
503.20377	0.3
503.25525	0.4
504.25079	0.7
505.25919	0.4
507.27200	0.3
511.37585	0.3
516.20856	0.3
517.22699	0.9
518.23157	4.1
519.24207	0.7
521.21814	0.6
530.23242	0.4
531.24280	0.5
532.25208	0.3
533.25555	7.1
534.26270	0.3
535.27789	1.7
536.23218	0.4
545.25513	3.2
546.26422	0.9
547.23975	0.2
549.24994	0.3
563.26422	4.1
564.27618	0.3
573.24951	1.0
577.27917	0.8
590.25110	0.3
591.25879	0.7
605.27545	11.3
623.28632	100.0
624.28900	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	1.3
69.07073	0.6
70.61101	0.9
74.49287	0.4
79.05488	0.7
79.73821	0.4
81.07050	1.3
91.05515	0.7
93.07043	1.1
95.04973	0.5
95.08649	1.0
97.20679	0.4
105.07017	0.6
107.08602	0.5
109.10201	0.4
113.81168	0.4
119.08596	0.6
121.10117	0.4
131.08623	0.6
143.08569	0.5
156.97725	0.4
196.15993	0.4
209.11028	0.5
235.12395	0.5
277.21683	1.3
287.18375	0.6
295.22729	1.1
377.17905	0.8
402.19455	0.7
403.19485	0.9
404.20767	0.5
405.16562	0.5
405.21216	0.5
413.18222	0.6
414.18625	0.9
415.19223	1.5
416.19998	1.2
418.17474	0.5
419.18454	1.3
419.22720	1.3
427.19104	1.0
428.19852	1.5
429.20947	6.4
430.21512	1.5
431.18530	1.1
432.19424	0.9
433.19534	0.7
433.24054	1.6
434.21005	0.7
442.21765	0.7
443.22589	3.9
444.23853	2.6
445.19418	0.7
445.24307	1.2
446.16760	0.5
447.21835	2.3
448.22473	0.6
449.23425	1.2
455.18790	0.7
456.19440	0.8
457.19879	1.3
457.24704	1.0
458.24789	2.9
459.21661	4.0
460.22760	2.6
461.19592	2.0
461.24316	1.5
462.20578	1.9
463.21622	0.8
470.21130	0.8
471.21677	1.4
472.22446	3.9
473.23801	3.2
474.20474	0.8
475.21420	1.5
476.22061	3.1
477.22989	3.4
485.23483	5.7
486.24075	1.5
487.25009	3.9
488.22186	0.5
489.22736	0.9
490.23694	0.6
502.23383	0.9
503.24524	2.5
517.26190	4.5
519.24146	1.1
520.24792	1.4
521.21539	0.7
531.23987	4.7
532.24500	0.6
536.23767	0.6
545.25507	48.4
546.26099	1.5
548.24323	1.0
563.26434	12.7
577.28375	0.8
591.25604	1.3
605.27649	4.2
623.28650	100.0
624.28943	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
64.63548	0.3
65.82574	0.3
71.22916	0.4
71.23286	0.3
71.53964	0.3
104.60336	0.3
182.32153	0.3
209.10733	0.4
225.13782	0.3
251.15367	0.3
267.70493	0.3
311.28918	0.3
328.12256	0.4
363.14624	0.4
376.17337	0.6
377.17847	0.7
378.18570	0.9
389.18106	0.9
390.18481	0.7
391.19244	2.2
392.19781	1.8
393.20712	0.6
399.16040	0.5
400.16415	0.6
401.17606	0.9
402.19449	0.5
403.19553	0.8
404.20538	0.8
405.20944	3.3
406.21637	2.7
407.22333	8.9
412.17438	0.5
413.17712	1.4
414.18301	1.7
415.19247	3.2
416.20038	0.8
417.21024	0.9
418.21683	0.6
419.23102	1.6
420.23203	1.4
421.23834	9.6
422.24585	2.2
427.19556	1.7
428.20132	2.1
429.20868	8.2
430.22015	1.9
431.17850	0.5
431.22720	0.7
432.19333	0.5
433.19666	1.0
433.24255	1.3
434.25232	0.6
435.26044	0.6
441.21295	0.5
442.21811	1.5
443.22684	4.9
444.23532	4.2
445.20200	1.2
446.21259	0.6
447.17953	1.0
448.18271	0.4
448.25864	0.4
455.18851	0.7
456.19485	0.6
457.24796	3.8
458.25125	4.3
459.21722	5.6
460.23160	1.8
461.18967	3.8
462.20297	1.6
463.20981	0.9
470.21033	1.3
471.21725	1.2
472.22672	6.2
473.18787	0.5
473.23480	1.4
474.20001	0.7
475.21170	5.3
476.21463	3.5
477.22681	2.6
478.23773	0.5
484.18961	0.5
485.23535	12.7
486.20410	2.7
486.24271	1.7
487.20486	1.7
488.22009	1.5
489.22876	2.2
490.23798	0.5
491.24207	0.4
493.26755	0.6
499.21414	3.9
500.22223	1.9
502.23251	1.0
503.24429	6.1
504.25684	0.8
507.23999	0.6
508.28711	1.2
513.22803	2.9
514.23682	1.6
515.24292	0.5
517.26453	6.2
518.23755	0.4
521.25391	1.1
529.26123	2.2
531.24011	1.3
535.27136	5.4
536.26862	0.5
545.25507	72.1
546.25903	1.6
547.27057	0.5
549.24933	0.4
562.25562	0.6
563.26331	0.7
564.27319	1.2
573.25012	16.9
577.28149	0.5
591.25769	1.8
605.27606	83.6
606.28052	1.6
623.28662	100.0
624.28894	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2498
Annotation	Kadangustin C
Peak:m/z	Relative Intensity
53.72125	0.5
55.05500	0.5
57.07108	0.5
63.26662	0.4
67.05507	1.1
67.19839	0.5
69.07080	0.5
69.73746	2.6
81.07042	1.0
91.05476	0.9
95.08593	0.9
105.07056	0.7
107.08525	0.6
125.00014	0.6
138.27991	0.6
144.08047	0.6
155.08498	0.6
184.07330	2.2
209.10773	0.8
275.20020	0.7
363.16138	0.6
376.17081	0.6
377.17532	1.0
378.18369	1.1
385.14868	0.6
389.18280	1.2
390.18622	1.0
391.19351	2.9
392.19925	1.5
393.20837	1.5
399.16211	0.6
400.16824	1.4
401.17609	2.0
402.18472	0.8
403.19583	0.7
405.20798	1.5
407.22400	3.1
412.17453	0.5
413.17633	1.4
414.18405	0.9
415.19522	2.4
416.20477	1.0
417.16769	0.8
417.21301	0.7
418.17633	0.7
419.18558	1.0
419.23181	0.6
421.20349	1.5
427.19479	1.1
428.20041	1.0
429.16574	1.0
429.21503	0.9
430.21884	0.7
431.18463	1.4
433.16083	1.0
434.21658	0.6
435.21869	1.7
436.22641	0.7
437.18851	0.6
443.22345	1.6
444.19489	1.7
445.20273	1.0
446.21838	0.7
447.17715	3.6
448.18658	1.1
449.19269	0.8
456.19699	0.7
457.20657	1.1
458.21405	1.0
459.18121	2.1
460.18634	1.0
461.19525	3.0
462.20377	2.0
463.20923	1.4
469.16312	0.6
471.22482	3.6
473.19019	2.4
474.20816	2.4
475.16702	0.6
475.21930	1.2
476.17911	0.8
477.18799	0.6
484.18613	0.6
485.19794	2.7
486.20401	2.1
489.18268	1.5
489.22815	3.7
490.19366	4.3
491.20663	2.7
499.21420	10.1
500.18439	2.1
501.23761	2.5
502.20276	1.3
503.21011	4.0
507.23776	1.4
513.19324	2.9
514.19958	0.8
516.21545	0.9
517.22388	12.9
518.22552	1.1
519.20422	1.1
527.20569	1.3
529.22461	5.1
531.20221	2.3
532.20941	0.7
535.23248	3.2
536.23865	1.3
545.21844	18.8
555.19983	0.8
563.23706	1.7
564.23529	1.8
573.21436	6.1
577.24567	3.3
591.22467	3.5
605.23962	34.1
606.24475	0.9
623.24945	100.0
624.25287	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	623.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.0
57.52310	0.6
67.05502	3.3
69.07063	1.3
69.77345	2.4
69.77750	1.2
79.05491	2.9
81.07050	2.3
83.04967	0.6
83.08615	1.1
84.89871	0.6
91.05486	1.9
93.07036	2.1
95.08624	1.4
97.10149	0.8
98.20691	0.6
105.07032	2.2
107.08599	1.8
109.10154	1.2
117.07005	1.0
119.08582	1.9
121.10121	0.8
129.07031	0.9
131.08563	1.2
133.10106	0.7
135.11716	0.8
140.85481	0.8
143.08528	1.2
145.10088	1.1
147.11755	0.9
155.08539	0.8
169.10197	0.6
190.62648	0.7
196.64754	0.7
197.13228	0.9
198.78882	0.6
209.11420	1.7
221.11070	0.7
250.07018	0.7
263.11774	0.7
289.47748	0.6
342.66122	0.7
374.16498	1.2
375.16248	1.1
376.17438	1.1
377.17654	1.7
378.18344	0.9
385.14777	1.1
387.16449	1.2
388.17499	0.9
389.17905	1.1
390.18774	1.4
391.19293	3.1
392.20029	2.1
393.20969	1.8
397.14886	0.7
399.16281	1.6
400.17087	1.2
401.17798	4.5
402.19046	0.9
403.19458	1.0
404.20212	1.0
405.16522	0.9
405.21121	1.5
406.21838	1.0
407.22412	4.1
413.17801	2.8
414.18594	3.1
415.19370	5.5
416.20511	1.5
417.21451	1.0
419.18823	2.7
421.20404	1.9
427.19244	1.4
428.20685	2.9
429.15921	1.1
429.21643	4.0
430.21719	1.7
431.18814	2.8
433.20779	1.2
435.21930	2.2
436.22482	1.0
441.16925	1.7
442.17990	1.0
443.18082	2.1
443.22589	2.7
444.19180	3.9
445.20334	2.2
446.21725	1.5
447.17447	4.1
448.19019	1.8
456.19598	1.7
457.20468	2.0
458.20972	2.6
459.18304	1.9
460.18762	0.9
461.19678	4.1
462.20590	2.2
463.21176	1.4
469.16412	0.8
471.22531	7.0
472.18301	1.2
472.23489	1.2
473.18985	4.6
474.20993	3.2
475.16864	1.1
475.21613	2.3
476.18292	1.6
483.21979	1.1
484.19315	0.8
485.19669	3.7
486.20572	4.3
488.22244	1.0
489.23853	6.7
490.19553	4.3
491.20370	4.0
493.22186	0.9
499.21347	21.8
500.17419	1.1
500.22952	0.9
501.23270	7.6
502.20639	0.8
503.20935	5.4
507.24097	2.2
511.21228	1.2
513.19409	1.5
514.20081	1.5
516.21222	1.3
517.22455	13.4
518.22516	1.0
527.20966	2.5
529.22394	10.7
535.23645	3.3
536.24048	1.6
545.21851	47.5
555.20148	1.3
563.22754	1.6
564.23480	1.8
573.21338	13.5
577.24597	1.4
591.22998	1.2
595.25745	1.0
605.23944	100.0
606.24249	2.0
623.25006	97.0
623.42413	7.5
624.25427	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44506	0.2
51.00890	0.2
55.05516	0.2
65.62155	0.2
67.05505	0.8
69.07074	0.3
79.05495	0.5
79.43527	0.2
81.07059	0.7
83.04983	0.2
83.08614	0.3
91.05495	0.8
93.07053	0.6
95.04968	0.4
95.08640	0.3
105.07050	0.5
107.08620	0.4
109.10141	0.5
119.08580	0.4
121.10149	0.4
133.10152	0.5
134.28975	0.2
135.11635	0.3
145.10059	0.2
149.09569	0.2
149.13269	0.2
163.11261	0.3
209.10786	0.3
221.10548	0.3
229.59497	0.3
251.11684	0.2
257.19107	0.2
268.13315	0.2
272.11783	0.2
275.20062	1.0
277.21640	0.9
293.21103	0.4
295.22751	0.6
373.15121	0.2
374.14978	0.3
375.15698	0.4
376.16614	0.8
377.18399	0.2
379.61316	0.2
380.98865	0.2
387.16507	0.5
388.16574	0.9
389.17520	1.3
390.18124	2.1
391.19019	1.1
392.19534	0.6
400.16989	0.2
401.18005	0.3
402.18268	0.8
403.14505	0.4
403.19366	1.8
404.14896	0.3
404.19870	3.3
405.20432	1.9
406.20871	1.7
416.15933	0.6
416.20233	0.4
417.16888	1.7
417.21021	1.0
418.16519	3.0
418.21561	1.5
419.17889	0.4
419.22565	2.1
420.22833	5.5
421.23373	0.6
430.17496	0.7
430.22110	0.3
431.17755	2.2
432.18546	6.3
432.23978	0.4
433.19608	2.8
434.20544	2.0
444.19339	0.5
445.19904	1.2
446.20560	5.7
447.21439	6.7
448.22159	7.1
449.22763	0.6
459.21545	0.7
460.17764	0.6
460.22205	2.0
461.18567	0.5
461.23328	0.6
462.20078	0.8
464.21671	0.3
473.19089	0.2
474.19235	1.9
474.24811	0.5
475.20856	6.7
476.21628	6.2
477.22256	0.4
478.23795	0.4
479.24347	0.4
487.21255	0.8
488.21686	3.0
489.22372	0.5
491.24207	0.2
492.21371	0.9
493.25766	0.4
501.22720	0.3
502.23132	1.6
504.22009	0.2
505.22058	0.5
506.26068	0.9
507.23730	0.4
510.77893	0.2
518.22797	0.5
519.23181	0.6
520.20453	0.6
530.22516	0.6
533.25922	1.7
534.25836	13.3
535.25708	1.0
547.22974	0.6
561.24884	1.1
562.25275	21.3
563.25903	1.3
566.28619	0.5
590.24652	0.8
594.27869	3.8
622.27399	100.0
623.27716	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	621.2707
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05530	0.5
57.07071	0.3
67.05507	0.9
69.07065	0.4
71.56549	0.5
81.07060	0.9
91.05491	0.6
92.99332	0.4
93.07012	0.5
95.04964	0.5
95.08616	0.6
107.08576	0.5
119.08648	0.5
134.58852	0.3
147.11719	0.5
184.07330	0.5
264.62680	0.5
291.19992	0.4
375.15912	0.6
387.16324	0.5
388.17172	1.1
389.17676	2.8
390.18463	1.6
391.19232	0.5
402.18646	1.3
403.14658	0.5
403.19479	3.7
404.20065	1.9
405.20847	2.0
415.19507	0.7
416.15976	0.8
416.20660	0.6
417.17120	3.4
417.21170	2.0
419.22400	6.6
429.20889	0.6
430.17838	1.2
431.18149	6.5
432.19168	2.1
433.19983	2.0
445.20047	5.3
446.21008	5.9
447.21805	7.9
459.17261	0.9
459.22211	1.5
460.23138	0.8
461.19562	1.7
473.19421	0.7
473.24307	0.6
474.20471	5.5
475.21225	7.3
487.21298	3.3
488.21802	0.9
489.46506	0.4
491.21207	1.3
501.22855	1.6
505.26257	0.8
518.23407	0.6
529.22491	0.5
531.24780	0.5
533.25494	15.0
546.22424	0.6
561.24994	20.6
562.25580	0.6
565.27814	0.5
589.24664	0.7
593.27692	3.0
621.27069	100.0
622.26996	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2709
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
64.61984	0.1
67.05499	0.3
71.30251	0.2
73.53580	0.1
79.05474	0.3
81.07051	0.4
83.04984	0.3
93.07041	0.3
95.06714	0.1
98.20864	0.2
105.07030	0.3
107.08598	0.3
108.08101	0.2
117.06992	0.2
119.08559	0.3
121.10124	0.2
149.13217	0.1
155.08452	0.2
172.03957	0.2
195.09126	0.2
207.09145	0.2
209.10754	0.3
220.09940	0.2
221.10727	0.2
222.11682	0.2
223.12321	0.4
233.10728	0.2
235.12247	0.3
237.10286	0.2
249.10229	0.2
251.11890	0.2
265.17798	0.1
272.11768	0.2
273.10446	0.2
275.20068	0.2
276.20346	0.2
298.13412	0.3
300.15012	0.2
308.11728	0.2
310.13620	0.2
314.13132	0.2
323.14093	0.2
324.15024	0.3
328.14902	0.2
336.14874	0.2
338.16434	0.3
340.14633	0.2
353.14798	0.2
368.17874	0.2
372.14951	0.2
373.14755	0.5
374.15424	0.4
375.16104	0.9
376.17609	0.3
382.46155	0.1
385.14789	0.2
386.16406	0.2
387.16010	0.7
388.16956	1.2
389.17627	2.9
390.18530	1.5
391.19363	0.8
400.17361	0.2
401.18225	0.9
402.14175	0.3
402.18893	1.2
403.19458	4.9
404.20029	1.9
405.20850	2.5
413.17914	0.3
414.18445	0.2
415.15009	0.4
415.20206	0.9
416.15512	1.2
416.20352	0.6
417.17081	4.4
417.21146	2.5
418.17780	0.9
418.21768	0.7
419.22391	7.9
420.22952	0.6
428.16922	0.1
429.16937	0.5
429.21521	0.4
430.17038	1.1
430.22308	0.4
431.18201	7.6
432.19205	3.1
433.14911	0.2
433.20148	2.5
443.18625	0.5
444.19577	0.8
445.20175	6.5
446.21014	6.2
447.21826	9.1
448.22833	0.3
457.20428	0.3
458.21222	0.3
459.17276	0.8
459.21875	2.3
460.18762	0.6
460.23135	0.4
461.19571	1.4
462.20355	0.2
463.21359	0.6
471.18253	0.2
473.19708	1.5
473.24344	0.7
474.20340	5.6
475.21310	8.3
476.21826	0.2
477.22806	0.4
478.23648	0.4
487.21350	3.0
488.22040	0.7
489.23199	0.3
490.24084	0.2
491.19931	1.1
492.24985	0.2
501.23010	2.2
502.23700	0.2
503.21024	0.4
504.21686	0.3
505.25760	1.2
506.23303	0.4
517.22247	0.5
518.23175	0.6
519.20673	0.7
529.22577	0.7
532.23657	0.2
533.25543	16.7
534.25592	0.3
546.22827	0.5
547.23547	0.3
561.24994	22.6
562.25543	0.4
564.23431	0.2
565.27087	0.3
577.25452	0.2
589.24878	0.9
593.27600	3.5
593.36951	0.2
621.27075	100.0
622.27533	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	0.4
52.08466	0.3
52.23737	0.2
62.12820	0.2
63.64663	0.2
67.05440	0.9
69.06995	0.3
70.80949	0.6
79.05420	0.3
79.60777	0.3
81.06994	0.5
95.04890	0.4
95.08545	0.5
107.08515	0.3
109.06489	0.5
109.10126	0.3
115.28783	0.3
120.08026	0.3
120.37871	0.4
133.10077	0.3
136.46558	0.3
195.08994	0.4
202.04092	0.3
209.67940	0.3
221.10756	0.6
223.12267	0.4
229.93423	0.3
289.17975	0.4
338.12857	0.4
374.15448	0.7
375.16049	1.0
387.16058	1.1
388.16882	1.2
389.17572	3.3
390.18402	1.2
391.19202	0.9
398.16663	0.3
401.17664	1.2
402.14420	0.8
402.18884	2.0
403.19406	6.1
404.20233	3.0
405.20773	2.4
415.19217	1.2
416.16208	1.3
416.20474	0.9
417.17001	4.3
417.20981	3.4
418.17044	0.5
418.21503	1.2
419.22412	8.6
429.17163	1.2
429.21420	0.6
430.17294	2.1
431.18115	9.1
431.23495	0.5
432.19144	2.9
433.20029	1.8
443.18558	0.9
444.19611	0.9
445.20163	7.4
446.20969	5.7
447.21790	11.5
448.22910	0.4
457.20404	0.8
459.17593	1.8
459.21991	2.2
460.18329	0.4
460.22864	0.7
461.19556	1.2
463.21130	0.5
473.19470	1.7
473.24161	0.9
474.20447	9.4
475.21271	16.0
476.22009	0.4
477.23077	0.3
486.20227	0.4
487.21414	4.4
488.22195	1.4
491.20065	0.7
501.22781	3.4
502.23660	0.6
503.20682	0.6
505.26068	1.0
506.22815	0.3
517.22253	0.6
518.22931	0.7
519.22437	0.4
529.22516	1.1
533.25537	11.7
546.22778	0.9
561.24957	76.2
562.25366	1.9
589.24445	2.4
593.27606	3.3
621.27069	100.0
622.27472	2.3
626.49670	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00897	3.1
53.03940	5.9
55.05518	27.5
57.07066	10.3
67.05509	36.4
69.07058	15.0
71.56116	4.1
76.96793	3.8
79.05498	27.5
81.07059	36.4
82.74921	4.1
83.04971	5.4
83.08611	20.6
83.99917	3.8
86.53777	3.5
87.04477	68.1
91.05488	28.9
93.07036	37.8
95.04958	17.6
95.08621	22.8
97.06527	5.4
97.10160	3.9
101.69815	3.5
102.38237	3.7
105.07030	30.7
107.04947	11.7
107.08607	21.8
109.10147	13.0
111.08090	6.0
117.07023	14.4
119.08604	36.7
121.06522	6.9
121.10127	18.5
123.08047	5.9
123.11687	3.8
125.09603	5.3
126.44093	4.2
129.07008	7.2
129.54196	4.0
131.08578	18.6
133.10167	25.3
135.08041	7.4
135.11670	9.7
137.09567	6.0
139.11110	4.0
141.06892	3.8
143.08516	4.6
145.10144	22.5
147.08057	4.3
147.11656	16.9
149.09645	20.6
157.10130	5.5
159.11690	16.1
163.11188	19.0
171.11679	7.0
173.13249	6.7
183.11598	4.2
187.11224	5.3
215.14380	4.1
237.14839	7.5
239.17938	9.0
257.19147	20.3
259.20468	4.2
275.17319	6.6
275.20071	100.0
277.21518	12.7
289.21548	5.7
301.21689	3.8
307.22723	39.1
316.06653	3.6
481.55981	3.7
565.41394	4.0
583.43140	4.1
618.41473	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	620.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01861	5.1
55.05265	1.7
55.05511	21.4
57.03412	2.1
57.07057	1.6
65.03916	1.8
67.05182	2.0
67.05502	30.5
69.07067	16.9
71.04982	2.8
71.34167	2.5
79.05077	2.0
79.05495	28.3
81.03438	5.8
81.07054	30.1
83.04963	5.4
83.08620	20.8
85.06536	2.9
91.04901	1.5
91.05481	31.6
93.06490	1.9
93.07049	29.3
94.43038	1.2
95.04963	22.3
95.08611	19.2
97.06516	4.9
97.10153	6.1
99.08134	1.5
105.07029	31.8
107.04412	1.1
107.04971	12.8
107.08585	17.5
109.06503	5.5
109.10158	9.2
111.08052	5.3
115.05479	1.4
117.07021	11.1
119.08583	28.5
121.06489	4.1
121.10133	14.4
123.08041	4.9
123.11700	3.6
125.09648	6.0
128.06216	1.2
129.06975	4.3
131.08571	16.1
132.09142	1.2
133.06520	2.5
133.10133	19.9
135.08061	6.0
135.11703	9.3
137.09586	3.9
139.11206	1.5
141.06996	2.0
143.08551	4.8
145.10127	22.1
145.11179	0.9
147.07964	1.3
147.11690	12.8
149.09613	20.6
149.13257	3.9
151.11154	4.1
155.08533	3.9
157.10132	5.5
159.11710	13.9
161.09596	3.2
161.13277	4.3
163.11195	18.8
165.12741	2.8
169.10110	4.3
171.11699	5.0
173.09650	3.0
173.13214	5.2
175.11151	3.2
177.12767	3.7
181.12186	3.4
183.11749	2.9
185.13327	2.4
187.14737	1.6
189.11208	3.1
191.14267	3.1
193.12390	1.6
197.13275	4.5
201.12698	2.2
203.12776	2.0
211.14908	1.7
223.13286	13.8
227.17842	1.4
229.19632	2.3
239.17943	8.0
247.20508	2.8
257.18991	12.3
273.18582	2.6
275.20062	100.0
277.21671	1.7
291.19495	4.4
293.21097	47.9
313.52020	1.3
378.23880	1.5
560.23883	3.9
567.40869	1.6
620.43597	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.311
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	4.2
71.55804	0.9
84.08156	3.2
85.02917	0.9
91.05480	0.8
98.97560	2.4
105.07024	1.6
116.98612	0.7
119.08588	1.3
120.08060	0.7
128.06204	0.9
129.06998	3.0
131.04901	1.0
131.08572	1.0
147.04454	1.0
147.08054	4.2
157.06537	1.5
159.08081	1.9
159.10155	1.0
160.05203	1.5
161.05980	2.3
167.08508	0.8
175.07570	8.7
177.09131	2.9
185.09608	1.4
189.09172	1.0
191.10715	1.2
195.08099	0.8
195.49005	0.7
201.09206	1.2
202.12209	1.7
203.07047	1.9
203.10741	1.2
205.08620	0.8
219.01837	1.2
219.10158	1.1
230.11823	1.7
237.02890	0.8
244.13327	1.6
245.11728	1.0
248.12889	6.6
262.14444	2.0
280.15442	100.0
281.15753	1.5
319.06671	0.9
362.68817	0.7
432.20755	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.2
55.01869	10.8
55.05513	90.1
57.03436	13.6
57.07085	17.8
59.04986	9.7
65.03949	2.5
67.05508	100.0
69.03419	8.5
69.07080	20.2
71.01360	7.3
71.04993	7.2
71.56782	2.5
73.02913	5.2
79.05491	39.8
81.03422	18.0
81.07063	53.8
82.75782	2.9
83.04972	17.1
83.08627	41.0
85.02911	29.9
85.06588	5.4
87.04478	51.1
91.05476	31.0
92.87763	3.0
93.07053	37.5
95.04972	21.3
95.08609	32.4
96.08968	2.9
97.02884	5.9
97.06528	11.6
97.10175	60.1
98.09681	3.8
105.04597	4.6
105.07034	25.3
106.07387	3.0
106.80278	2.5
107.04932	4.6
107.08605	39.5
108.08950	4.3
109.06494	8.5
109.10159	64.4
111.04431	2.8
111.08109	6.5
117.07011	8.6
119.08586	33.2
120.08852	3.3
121.06496	5.6
121.10125	18.3
122.10534	2.8
122.74360	2.6
122.90779	2.6
123.08057	14.7
124.08490	3.4
124.12185	2.4
125.05994	4.3
125.09646	58.3
127.03910	4.2
128.06229	4.8
129.07024	10.6
131.08595	13.2
132.08862	3.9
133.10143	15.5
135.08118	6.5
135.11708	10.0
137.09592	9.9
143.08563	6.0
143.10686	8.1
145.10129	15.8
146.10533	6.4
147.08052	10.7
147.11723	6.2
149.09630	6.4
151.07544	14.8
152.07904	5.1
153.12723	5.2
155.10690	8.8
157.10114	12.0
157.12308	3.9
158.10576	5.3
159.08008	3.4
159.11720	13.2
161.09653	2.7
163.11179	25.1
165.09148	13.5
166.09482	3.4
171.11717	6.7
173.09642	7.3
173.11763	42.9
173.13158	4.5
175.11185	3.2
175.14772	3.1
181.12289	11.0
182.12604	3.7
183.11615	5.2
185.13245	3.0
187.13293	4.9
189.12846	3.2
191.10672	3.2
193.12216	6.5
197.13283	4.5
203.14354	5.9
205.34279	2.8
207.13780	6.8
209.11742	10.2
221.15320	24.7
222.15718	10.4
225.53212	2.7
227.12793	5.2
248.15176	3.2
271.28818	3.0
301.21158	2.8
313.21384	3.0
318.16962	4.9
362.19482	4.9
385.48721	2.6
575.16992	3.2
582.40051	4.1
600.41492	16.4
618.42487	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01870	1.4
55.05503	2.3
57.03429	2.4
61.02929	13.9
64.02388	0.6
67.05512	5.6
69.03428	4.3
69.07068	1.1
70.95261	0.9
70.95605	1.1
71.04984	1.2
73.02915	5.5
79.05495	6.6
79.71597	0.6
81.03419	19.8
81.07062	6.9
83.04987	1.9
83.08619	6.5
85.02910	10.6
91.03964	8.0
91.05480	14.4
93.07051	5.3
95.04976	6.2
95.08640	2.8
97.02903	7.8
97.06520	1.8
97.10166	0.9
99.04474	1.4
101.02393	0.7
105.07029	5.0
107.04269	0.6
107.04961	2.8
107.08596	4.7
109.02877	0.6
109.06516	1.7
109.10158	2.9
111.04436	0.7
111.08084	4.0
117.07005	1.3
119.04960	4.3
119.08584	5.4
121.06543	1.7
121.10132	4.0
123.04430	2.2
123.08102	0.9
123.11763	0.8
127.03926	1.7
129.07022	3.6
131.08543	5.2
133.06506	4.0
133.10110	4.2
135.04436	3.5
137.05980	31.1
137.09593	1.0
141.07007	0.9
142.07796	0.7
145.04996	0.7
145.06500	3.3
147.04414	6.3
147.08052	2.1
147.11720	4.7
149.06003	3.4
149.09613	6.5
150.42696	0.6
151.07567	0.8
151.11246	0.8
157.06557	1.3
157.10117	5.2
159.08080	2.6
161.05998	10.6
161.09573	0.7
163.07503	4.3
165.05504	1.4
165.06914	0.6
165.09108	0.8
165.12801	1.1
171.08047	1.7
173.06006	6.0
173.09613	1.1
175.07588	7.1
175.11192	4.6
177.05466	0.7
177.09114	1.1
183.08084	1.0
185.06104	0.7
187.07559	8.8
189.09161	3.4
191.07083	1.1
193.08669	0.9
193.12250	13.6
197.09676	1.2
199.07562	2.3
201.09148	2.6
205.08646	1.0
209.09747	0.7
211.13306	8.5
213.09158	1.8
215.10712	0.7
225.12746	0.7
257.15335	5.2
267.13739	1.2
285.14777	6.7
301.18015	1.2
302.17566	1.8
303.15912	7.9
311.16412	4.6
329.17517	10.5
341.17593	1.4
346.20212	1.9
347.18555	4.1
376.21115	1.0
377.20001	0.7
385.19882	0.8
403.21213	2.0
420.23718	3.8
421.22052	3.5
438.24893	68.4
439.25381	1.2
456.25900	5.1
480.25516	0.8
516.25903	1.2
546.27039	1.4
564.28204	2.5
582.29187	3.8
600.30139	100.0
601.30560	1.8
618.31244	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	618.312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.5
53.03953	2.0
55.01867	1.7
55.05513	4.4
56.33179	0.7
56.96577	0.9
57.03439	4.3
60.98120	0.7
61.02927	22.9
62.46119	0.9
62.92941	0.8
65.03940	1.2
67.05507	10.3
68.05823	0.8
69.03432	8.9
69.07080	4.0
70.06592	3.7
71.05000	3.1
73.02922	8.9
75.42345	0.7
79.05494	12.2
81.03419	21.3
81.07059	11.5
83.04990	3.1
83.08610	5.1
84.08138	1.2
85.02907	20.0
86.06071	1.1
86.09721	1.3
87.04507	0.8
91.03960	10.0
91.05479	17.6
93.07043	11.4
95.04980	5.7
95.08611	5.0
95.63416	0.7
97.02892	13.4
97.06538	5.1
97.10195	1.4
99.04449	2.1
101.02380	1.8
103.05482	1.6
105.07042	11.1
107.04970	4.0
107.08607	8.5
109.02891	2.1
109.06541	2.5
109.10146	3.7
111.08101	3.1
115.03993	0.9
115.05473	0.8
117.07030	2.6
119.04927	5.4
119.08591	6.7
119.31816	0.8
120.08133	1.0
121.06503	3.9
121.10143	7.4
121.10853	0.9
123.04446	3.1
123.08098	2.0
123.11742	1.1
125.09651	1.3
127.03912	2.7
129.06990	6.5
131.04977	1.4
131.08598	7.2
133.06485	7.0
133.10123	5.6
135.04387	5.8
135.08032	1.4
135.44785	0.9
137.05984	39.4
137.09645	1.1
139.11215	1.1
142.07787	1.2
143.04958	1.2
143.08638	0.8
145.05006	1.0
145.06496	4.5
145.10114	1.0
147.04410	11.8
147.08047	3.2
147.11700	5.9
149.06000	5.0
149.09625	12.5
157.06540	2.0
157.10107	5.5
159.08067	5.3
161.05988	18.5
163.07564	9.0
164.07179	1.0
165.05519	1.7
165.06863	1.0
165.09203	1.0
171.08047	2.1
173.06000	10.2
173.09615	1.8
175.07541	10.0
175.11168	5.8
177.05496	2.0
177.09143	1.9
185.06017	0.8
185.09642	1.1
187.07555	14.0
187.10921	0.9
188.08383	1.0
189.09138	5.6
191.07047	2.5
193.08693	1.1
193.12268	14.7
195.08015	1.1
197.09633	1.4
199.07495	4.2
199.11275	1.0
201.09116	5.0
205.08615	1.4
209.08162	1.7
210.08302	1.0
211.11292	1.3
211.13202	8.8
213.09157	2.4
215.10751	2.4
227.10843	1.0
233.11777	3.1
250.14391	2.9
257.15344	10.4
262.14343	1.5
264.16043	1.4
267.13855	2.0
267.16312	1.4
283.17059	1.4
285.14844	11.5
293.15405	1.6
301.18109	3.1
302.17560	2.8
303.15909	15.8
305.10794	1.6
311.16394	7.1
329.17477	16.7
333.12140	1.0
341.17490	2.2
346.20111	4.1
347.18484	6.1
358.20432	0.9
359.18796	1.1
376.21362	1.7
385.20209	1.6
402.22641	1.6
403.21317	4.7
420.23795	11.5
421.22263	4.2
438.24878	84.2
456.25873	14.8
468.22549	0.9
491.90543	0.8
494.54352	0.8
516.25336	1.3
535.01617	0.8
546.26898	1.6
564.28162	3.6
582.29211	6.2
600.30157	100.0
618.31232	79.3
619.30450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3513
Annotation	alvespimycin
Peak:m/z	Relative Intensity
50.20541	0.3
55.05515	1.0
56.96567	0.5
57.03424	0.6
61.02929	1.0
67.05504	1.4
68.90514	0.4
69.07064	1.4
70.06570	0.6
71.56747	0.5
73.02917	0.4
77.00907	0.8
78.30003	0.4
79.05489	1.0
81.03416	1.4
81.07050	2.7
83.08617	0.4
85.02908	1.7
91.05454	1.0
93.07056	1.1
95.01953	0.7
95.04981	0.5
95.08627	1.4
97.02880	1.0
97.06519	0.9
97.68437	0.4
98.97586	0.4
101.00890	0.6
101.73816	0.4
105.07053	1.4
107.08611	0.6
109.02882	0.4
109.10161	1.2
111.07958	0.4
119.01940	0.8
119.08551	1.0
121.10186	0.8
127.03953	0.7
131.01941	0.6
131.08595	0.4
133.10138	0.9
137.03059	0.5
137.06012	0.7
143.08571	0.6
149.13374	0.4
157.10159	0.7
169.10161	0.4
173.13356	0.5
185.04295	0.4
185.66170	0.4
201.16487	0.4
203.05299	1.6
227.05302	0.8
245.06340	9.4
259.09631	0.5
271.06070	1.7
289.05286	27.2
301.07123	1.2
303.25235	3.1
305.23340	1.4
321.26407	3.3
333.26343	2.3
339.27271	0.6
344.62500	0.4
345.26553	1.2
351.28659	8.3
369.29758	7.1
374.16028	0.6
393.28482	0.5
397.99277	0.5
403.69028	0.4
411.29474	2.8
421.30759	0.9
497.29465	0.8
498.39545	0.4
513.33350	1.1
517.95239	0.4
531.34705	3.8
543.33679	0.5
555.35266	1.2
573.35962	10.7
581.32373	0.4
599.34045	7.9
617.35162	100.0
618.35474	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60167	1.4
52.79184	1.5
53.03946	2.7
55.01865	4.9
55.05511	22.8
67.05172	2.5
67.05504	24.5
69.07068	17.6
71.04989	2.3
71.55894	1.7
71.56287	1.9
79.05498	20.0
81.03422	6.1
81.07069	29.9
83.04984	5.0
83.08617	22.6
85.06547	3.8
89.85625	1.7
91.05483	22.7
93.07048	27.3
95.04963	17.9
95.08617	20.7
97.06516	6.2
97.10188	4.6
105.07036	26.4
107.04951	13.1
107.08605	21.1
108.39233	1.4
109.06554	8.0
109.10154	7.5
111.08091	5.1
116.72524	1.3
117.07024	9.6
117.47141	1.4
119.08593	21.2
121.06513	7.4
121.10143	19.2
123.08068	4.5
123.11681	2.7
124.31058	1.6
125.09643	5.5
129.07053	3.7
131.08585	14.0
133.10123	17.9
135.08070	6.8
135.11699	7.3
137.09631	2.9
139.11200	4.1
141.06989	2.2
143.08586	5.2
145.10138	22.3
147.08031	4.7
147.11665	13.8
149.09615	17.8
149.13211	1.8
151.11221	4.7
153.09178	1.6
155.08600	2.5
157.10141	3.6
159.11700	8.8
161.13274	5.5
163.11182	22.1
165.12741	4.4
169.10095	2.2
171.11781	2.5
173.09634	4.3
173.13252	4.7
175.11185	4.2
177.12758	2.3
183.11697	3.1
187.11182	3.7
187.14644	1.7
191.14349	3.0
197.13197	2.9
201.12836	2.6
203.12761	3.8
205.12306	2.2
207.13878	2.7
215.14502	1.9
217.14407	6.1
219.13863	3.0
229.19521	4.4
237.14861	10.6
239.17964	6.1
247.20543	3.3
257.19012	13.2
275.20081	100.0
289.21704	4.6
293.21103	19.9
307.22681	79.3
361.74142	1.7
616.40552	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	616.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76429	0.4
55.05500	1.1
57.07062	0.4
61.02934	0.6
67.05506	1.4
69.03413	0.7
69.07068	2.2
69.26477	3.9
79.05502	1.9
81.03427	0.6
81.07048	2.6
83.08607	0.6
86.09676	0.8
91.03959	0.8
91.05491	2.0
93.07034	2.6
94.04188	1.7
95.04970	1.4
95.08618	1.3
97.02885	1.0
97.06521	0.9
98.20710	0.7
102.12171	0.4
105.07031	1.4
106.07382	0.5
106.82776	0.4
107.04974	0.8
107.08599	2.0
109.06518	0.8
109.10166	1.5
111.08086	0.5
112.92905	0.4
114.09171	0.5
117.07084	0.5
119.08585	1.8
121.10152	1.5
122.03644	4.8
123.07980	0.5
123.11662	0.4
124.99994	0.4
131.08537	0.8
133.10135	1.7
135.11720	1.8
137.05984	100.0
140.86870	0.4
145.10139	0.9
147.08118	0.4
147.11635	0.6
149.09654	0.6
151.11223	0.6
153.12767	0.9
157.10107	0.7
167.10637	0.7
170.15454	2.1
175.07768	0.4
181.12250	0.6
182.15393	4.6
184.07396	0.7
217.24155	0.4
221.15413	0.5
222.15724	0.4
255.09367	0.4
267.06311	0.4
275.20200	0.5
297.39728	0.4
298.55331	0.4
306.20605	10.0
306.23914	0.5
308.59113	0.5
414.34430	0.5
616.17328	0.5
616.33112	0.7
616.41656	1.2
637.10236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.6
56.96564	1.4
57.07075	1.4
58.99862	1.4
59.04991	0.7
62.94525	0.6
63.92314	0.7
67.05505	10.1
69.03406	2.3
69.07049	2.9
70.72992	1.3
70.73378	1.7
77.00909	3.7
79.05493	4.9
81.07056	11.5
83.04963	2.1
83.08591	2.1
85.06526	1.3
91.05481	6.0
93.07041	8.4
95.01947	3.9
95.04956	2.9
95.08611	9.0
97.06499	1.5
97.10175	1.0
100.02483	0.7
105.07033	8.0
107.08606	6.5
109.06519	2.5
109.10181	4.6
117.07021	2.4
118.01136	0.9
119.08575	7.4
121.06487	1.5
121.10143	9.8
123.08067	4.4
123.11691	2.3
125.06021	1.1
128.06206	0.8
129.07010	1.0
130.07780	0.7
131.01927	4.5
131.08543	3.5
133.06474	1.2
133.10144	6.5
135.08069	2.0
135.11693	2.7
137.05975	0.9
137.09601	1.5
137.13197	1.3
139.06078	0.8
142.07751	1.7
143.08557	3.2
145.10135	4.7
147.08052	2.7
147.11668	2.9
149.02972	1.7
149.09608	2.9
149.13228	2.2
151.07558	4.3
151.11165	1.1
153.07655	0.8
155.08522	1.3
157.10100	3.3
159.08040	2.0
159.11696	2.6
161.09570	1.9
161.13292	2.1
163.11198	1.4
163.14883	1.1
165.06909	1.0
165.09134	4.2
167.10667	7.8
169.10094	1.0
171.11711	1.8
173.06599	1.3
173.09680	1.3
173.13255	1.5
175.09724	0.7
175.14821	1.7
181.10118	1.4
181.12245	2.0
182.10811	0.9
183.11687	2.2
185.09599	1.7
185.13153	1.1
187.08180	1.8
187.11304	1.3
187.14845	1.2
189.12785	1.2
193.07121	0.9
193.10367	1.1
195.11673	1.7
197.09610	1.1
197.13229	0.7
199.08080	1.0
199.11191	1.2
199.14812	0.7
201.09650	2.4
201.11273	1.0
203.14328	0.7
205.09293	0.7
206.10999	0.9
207.11894	2.1
207.13780	1.8
209.13452	2.4
211.11229	0.9
211.14807	0.7
213.09624	0.9
217.10695	1.0
221.13553	1.3
221.15417	6.5
223.15414	1.0
231.12212	3.5
233.15431	3.9
235.15361	2.0
237.12891	0.9
245.13837	2.8
245.17596	2.1
247.11948	0.9
247.14658	1.1
249.13239	2.7
251.14680	1.2
259.15332	1.2
261.13321	2.3
261.16953	1.0
263.14795	1.9
263.18585	2.0
267.14291	1.7
271.19089	2.6
273.16620	0.7
277.15726	1.0
281.16003	0.9
283.19125	2.3
284.15323	0.9
289.16409	1.0
289.20102	1.5
291.17630	0.8
291.21439	0.9
299.18466	8.2
301.16711	0.8
301.20071	24.6
302.16083	0.8
303.18094	1.2
303.21545	0.9
315.18152	2.5
317.19644	34.3
319.21185	100.0
320.21475	1.5
321.22751	8.4
331.21133	2.8
333.22501	1.6
335.20837	3.6
336.19244	2.7
337.22278	51.0
338.22546	1.3
339.23801	2.2
340.21307	4.0
342.22787	17.3
345.22794	1.6
349.21692	0.9
355.23618	1.3
357.22452	1.7
359.24277	1.4
360.23795	3.0
371.24341	1.6
389.24463	1.2
407.25760	1.3
413.29083	1.5
427.30261	1.1
437.33624	0.9
447.28806	1.0
467.30310	1.4
481.31302	1.2
495.33255	1.4
539.19171	2.1
561.41443	2.0
571.21857	2.1
579.42621	35.7
597.42780	5.1
615.20459	2.2
615.40576	17.9
620.45160	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68395	2.7
51.06470	2.5
53.03946	4.1
55.01880	2.9
55.05515	8.8
57.07064	8.1
65.03933	3.3
67.05505	18.3
69.03422	4.8
69.07056	7.8
71.55965	3.8
75.04417	2.9
77.63753	2.3
79.05491	18.3
81.06741	2.1
81.07059	24.0
83.04972	10.0
83.08623	5.5
84.79199	2.7
89.06030	25.9
91.05478	23.1
93.07064	24.4
95.04964	35.9
95.08595	18.5
97.06522	9.7
103.05484	4.9
105.07035	36.9
107.08595	28.0
109.06488	12.8
109.10174	13.7
115.05458	4.7
117.06976	14.1
119.04922	4.4
119.08595	33.4
121.06520	6.7
121.10135	16.0
122.07291	4.4
123.08061	12.2
123.11677	5.3
125.06000	13.4
125.09627	3.1
128.06232	13.0
129.06998	11.8
130.07784	3.9
131.08549	21.0
133.06479	5.9
133.08624	16.2
133.10118	19.2
135.08040	15.6
135.11661	6.1
137.06015	9.1
137.09558	4.5
138.10408	4.7
141.06996	7.2
142.07764	9.0
143.08566	43.1
144.09325	5.7
145.06467	4.9
145.10130	32.8
147.08063	7.4
147.11687	8.9
149.09616	7.7
151.11223	3.5
154.07814	3.3
155.08549	9.6
156.09380	7.5
157.10132	23.3
158.10930	10.7
159.08070	8.1
159.11702	11.5
160.08783	5.2
161.09627	9.9
163.07568	4.5
163.11195	10.1
165.06998	6.7
165.09033	3.3
166.07735	2.9
167.08525	6.4
168.09373	3.4
169.10112	15.6
170.10883	5.6
171.08089	4.2
171.11783	16.8
173.09602	7.9
173.13219	6.4
175.11163	4.8
177.11293	6.4
179.08536	6.1
180.09312	3.5
181.10124	11.4
181.12231	8.3
182.10994	5.4
183.08060	4.0
183.11678	16.0
185.09616	7.0
185.13220	7.3
187.11151	7.7
189.09100	4.3
189.12755	5.9
191.14278	8.2
192.09253	4.4
193.10152	8.6
193.11949	3.0
194.10950	7.8
195.10158	3.1
195.11647	14.1
196.12506	3.1
197.09650	6.2
197.13277	9.1
198.14153	2.9
199.11198	9.2
199.14706	4.4
201.09201	6.3
201.12692	5.1
203.14345	5.7
206.10941	4.9
207.11754	13.6
208.12482	3.2
209.13280	10.5
211.11162	4.4
211.14915	4.6
212.11978	2.8
213.12711	4.5
215.10689	2.7
216.11496	7.2
217.10194	3.5
218.10899	4.3
219.11670	4.6
220.12486	6.8
221.13260	10.8
221.15303	5.1
223.11087	4.4
223.14841	6.2
225.12701	4.9
227.14383	7.6
231.13892	3.2
233.13225	3.8
234.16168	2.7
235.11235	3.7
235.14835	3.5
241.12309	3.2
243.11627	3.0
245.13362	5.9
247.14818	6.7
251.14291	4.1
253.15952	5.9
255.47754	2.6
259.14777	2.9
265.15973	3.3
267.17163	3.1
271.17007	5.0
271.29227	2.4
273.18695	12.7
286.19376	3.7
289.15775	3.1
305.17526	15.7
331.19186	13.6
337.21805	6.0
352.23999	46.4
367.22656	3.6
369.20596	3.0
384.22980	41.3
397.23868	5.9
415.25290	8.1
434.28302	2.9
444.30276	6.1
445.30356	2.8
467.32175	3.0
476.29245	27.5
522.33081	7.7
554.27856	3.2
582.27783	10.0
597.45502	2.8
614.30292	33.0
614.39429	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05106	2.4
53.03935	7.8
55.01668	2.3
55.01875	27.1
55.05513	100.0
57.03431	3.8
57.07071	2.9
57.83036	2.6
65.03934	5.5
67.05505	95.3
67.28741	2.9
68.88719	2.5
69.03416	10.6
69.06725	4.5
69.07070	67.5
70.51626	8.0
71.04972	6.4
77.03902	2.8
79.05493	66.7
81.03426	4.9
81.06586	5.1
81.07058	94.0
83.04970	10.6
83.08166	3.2
83.08627	50.6
85.06528	8.7
91.05482	66.9
93.07042	66.6
95.04970	15.0
95.08607	71.3
97.06529	30.6
97.10175	71.9
99.08099	5.0
103.05473	3.6
105.07029	68.4
107.04944	8.9
107.08597	62.1
108.64364	3.2
109.06503	15.5
109.10159	33.2
111.08080	11.0
117.07011	27.8
119.08590	56.7
121.06479	7.9
121.10150	32.2
123.08058	9.3
123.11689	4.1
125.09630	58.1
128.06229	6.6
129.07027	27.6
131.08575	55.2
133.06482	5.4
133.10147	42.3
135.08069	20.6
135.11711	16.6
137.09592	8.6
139.11189	9.2
140.62672	2.6
141.06972	8.5
142.07750	8.0
143.08574	29.9
144.09326	4.0
145.06487	9.2
145.10123	44.0
147.08102	5.8
147.11702	27.5
149.09624	12.1
149.13232	9.7
151.11180	6.3
153.07083	4.4
153.09113	8.0
155.08572	27.3
155.10625	6.8
157.10115	28.6
157.12192	5.4
159.08044	8.0
159.11696	28.3
161.09587	8.1
161.13254	14.6
163.11160	9.2
163.14822	3.2
167.08557	8.9
167.10663	4.0
168.09340	3.9
169.10132	26.8
171.11646	22.5
173.09599	5.7
173.11771	5.5
173.13246	21.9
175.11165	8.3
175.14832	3.6
177.12697	6.4
179.08601	2.9
181.10092	11.5
183.11717	24.0
185.09615	5.8
185.13266	15.8
187.11134	6.1
187.14836	4.5
189.12672	4.6
191.14276	3.6
193.10104	4.2
195.11697	11.9
197.13254	17.6
199.11208	4.7
199.14812	10.3
201.12709	3.6
201.16470	4.9
203.12746	25.3
203.14388	4.1
207.11775	3.8
209.13283	12.4
209.15216	3.3
211.14828	10.0
213.12683	3.7
213.16399	7.5
215.14354	4.3
215.17854	2.6
221.13289	4.8
221.15289	4.7
223.14828	6.0
225.12804	3.9
225.16418	8.4
227.17926	4.1
229.19473	3.3
235.14816	3.8
237.16473	5.6
239.17914	5.3
247.16966	3.0
253.19472	4.5
255.17503	5.6
257.19116	4.7
265.19519	4.3
269.18991	2.8
271.20566	4.2
273.18604	4.4
273.64822	3.1
275.20184	25.2
287.20193	4.0
289.21579	35.0
291.19843	3.7
291.23157	8.7
301.21637	6.7
303.23248	8.8
305.21069	8.5
307.22693	7.9
313.21597	5.1
315.23285	3.7
317.24789	7.1
319.22745	3.5
325.21704	6.0
327.23236	5.1
329.24869	6.0
331.22577	3.6
339.23401	3.5
341.24655	4.0
345.24460	3.3
347.22766	3.9
357.24280	3.5
363.26886	5.6
381.28110	7.2
395.29358	21.4
397.30994	7.4
411.32352	5.2
413.30502	19.6
419.29077	6.7
427.31876	5.2
433.31097	5.2
437.30487	3.9
445.83932	3.0
451.32217	5.2
455.31558	3.9
461.30542	4.0
463.31772	3.5
469.33151	9.2
483.34970	14.8
485.36185	7.4
501.35654	10.2
513.37177	5.5
515.37518	7.9
526.36829	2.8
531.37872	3.9
545.39807	4.4
549.38696	4.0
563.40894	12.6
577.42474	4.7
581.41840	23.6
595.43402	46.6
613.44708	64.0
639.17792	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	613.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04109	0.6
55.01871	1.7
57.03439	0.7
64.21590	0.6
65.03626	0.6
65.03932	3.5
68.99796	6.5
69.03432	0.9
69.18338	3.5
69.18771	3.0
70.90337	0.7
79.05475	0.7
81.03431	1.2
85.02915	4.3
91.05459	0.9
93.03401	2.0
95.04987	1.5
97.02885	3.6
103.03963	1.4
107.04956	3.1
109.02872	2.3
111.04483	1.7
115.05460	1.0
119.04967	3.0
121.02872	100.0
123.04432	1.6
129.06966	0.8
129.27136	0.7
131.04869	1.2
133.06526	1.1
135.04395	3.2
135.33047	0.7
137.02365	0.9
139.03897	2.1
143.09698	0.8
145.06454	1.1
147.04404	3.0
149.02379	0.7
149.05928	1.2
151.03932	2.8
152.53831	0.7
153.01865	1.5
157.06522	0.7
159.04420	1.4
161.02304	0.8
161.05975	2.2
163.03899	20.0
164.23059	0.7
165.01846	4.3
171.04387	0.8
173.02350	1.9
173.05997	1.4
175.00269	0.8
175.03926	3.8
177.01863	5.7
177.05518	2.9
179.03413	1.2
181.04965	2.4
183.02946	1.0
185.05983	1.0
187.03877	3.1
187.07552	0.7
189.00438	0.6
189.01770	3.4
189.05501	2.5
190.02829	0.6
191.03442	3.5
193.05000	2.1
195.02870	5.7
199.03929	1.1
201.01857	1.9
201.05502	2.9
203.03400	3.2
205.01395	1.1
205.04935	5.0
207.02901	8.5
213.05519	2.2
215.03462	3.0
215.07022	0.8
217.04965	7.8
219.02907	10.5
221.04478	1.9
223.02464	0.9
223.06004	1.3
225.03928	2.3
227.03436	1.7
229.04965	4.6
231.02917	10.7
231.06519	1.2
233.04422	3.5
235.06091	2.4
237.03929	2.9
241.04988	2.7
243.02876	5.3
243.06621	1.8
245.04503	1.8
247.06032	4.9
249.04039	2.7
255.02899	1.9
257.04504	2.0
259.02658	0.7
259.06049	5.6
261.03922	11.2
265.07138	2.1
267.02814	0.9
269.04346	1.5
271.05994	4.7
273.03970	8.2
275.05569	0.9
277.07126	1.9
283.05933	3.0
285.03876	7.4
291.04840	6.2
294.05261	0.9
295.05884	6.5
297.03931	2.0
297.07367	0.8
299.05557	1.5
301.07166	2.6
303.05038	4.5
307.06125	4.0
308.06854	1.5
309.03683	1.0
313.07187	2.7
315.04953	2.0
319.08395	0.9
321.05780	3.4
325.07019	7.3
327.04837	4.0
331.08353	1.1
335.09277	1.0
337.06796	5.8
339.07382	9.1
343.07956	1.2
345.05988	4.2
349.06781	4.4
351.04980	1.0
355.08115	4.5
357.06177	2.0
361.06827	1.7
363.07089	5.1
365.10645	0.9
367.08136	1.9
369.05914	1.4
375.07242	1.8
379.07834	5.1
387.07129	1.7
391.08270	3.6
393.08023	5.0
397.08936	1.6
403.08151	1.4
403.96954	0.7
405.08060	4.1
409.09103	8.1
421.09201	5.1
423.09177	5.4
427.10242	5.0
433.08899	3.2
439.10251	4.5
441.10349	8.8
443.10025	1.0
445.10257	5.2
457.11340	15.9
459.11212	1.0
463.10068	4.3
475.12167	5.9
481.11172	6.8
493.11346	3.1
499.12207	2.8
505.11591	2.1
511.12399	9.1
523.12585	4.7
541.13562	5.3
559.14282	5.2
577.15424	1.8
595.16125	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
57.03441	0.5
59.90549	0.3
61.02925	0.9
65.03950	0.7
67.05502	1.2
69.03436	1.0
69.07066	14.3
70.49503	1.1
70.49851	0.5
73.02922	0.5
79.05490	4.9
81.07052	0.7
85.02917	0.7
88.32432	0.3
91.05486	12.7
95.04940	0.5
97.02888	0.6
97.06530	48.8
98.10902	0.4
98.21520	0.5
107.04956	0.5
109.06492	1.0
119.04939	10.5
121.06516	0.5
133.10138	0.6
135.04405	0.9
136.05193	0.9
137.05975	100.0
147.04398	1.4
149.05994	1.0
163.03925	2.0
163.07536	0.5
164.37689	0.5
166.48349	0.5
183.69310	0.4
189.09062	2.6
215.10681	1.6
233.11717	84.1
250.14381	90.1
251.14760	0.5
253.14267	1.0
259.23938	0.4
310.77124	0.5
349.62976	0.6
358.20139	0.6
450.24707	1.5
612.29706	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	611.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.05505	1.8
56.96562	1.1
58.99877	2.6
59.00166	0.4
67.05503	2.4
69.07056	1.8
69.72276	0.6
70.71400	1.3
73.15125	0.5
77.00912	8.2
79.05492	5.5
81.07051	2.3
83.08605	1.1
91.05467	3.6
93.07043	5.6
95.01952	4.4
95.04959	0.7
95.08595	2.1
97.10142	0.7
100.02503	0.7
104.82423	0.5
105.07030	2.9
107.08586	2.9
109.10126	1.1
113.00858	0.8
115.02354	0.5
117.07021	1.6
119.01878	0.9
119.08597	3.1
121.10144	2.4
129.06992	0.6
131.01898	7.9
131.08548	1.3
133.10124	2.1
135.11716	1.0
143.08575	0.9
145.10088	2.4
145.16820	0.5
147.11661	1.6
149.02950	2.2
149.13306	0.6
151.06059	0.5
151.17400	0.5
154.03484	0.9
155.05513	0.6
157.10161	0.5
159.04965	0.9
159.11728	1.8
161.13295	0.8
169.07086	0.8
171.05042	0.6
171.11725	0.5
173.06635	1.4
173.13271	1.0
175.14787	0.7
177.06213	0.6
179.09157	1.1
181.07083	0.8
185.06558	0.6
187.08110	1.9
191.07581	1.0
193.10759	1.0
195.08730	1.1
195.12013	0.5
197.10233	2.4
199.08128	1.0
201.08070	0.5
201.09651	2.6
201.11325	0.6
205.09132	1.2
205.10838	1.1
207.12331	1.1
209.10245	1.5
211.11835	0.9
213.09668	0.9
215.11198	6.6
215.12758	0.7
217.07314	0.6
219.08727	1.3
219.12436	0.8
221.10243	0.5
223.11804	1.4
225.13332	0.9
227.11232	1.5
229.10780	0.9
229.12801	3.8
231.12427	1.0
233.12231	1.0
233.14212	0.7
236.12601	1.0
237.13306	0.9
241.12775	0.9
243.12354	0.6
243.14136	2.3
245.13901	0.7
247.11827	3.6
247.14066	0.8
249.13313	1.1
261.13281	2.7
266.13602	0.8
269.17532	1.2
275.14963	1.8
287.15082	0.9
287.18243	0.5
289.16443	2.1
289.19650	0.8
293.16000	0.8
295.15442	0.6
297.13898	0.9
297.16986	7.4
299.18549	49.9
301.16708	0.8
301.20117	2.5
303.18088	0.8
311.15039	0.7
313.16339	2.6
315.18088	28.7
316.16666	0.8
317.19617	100.0
318.19907	1.5
319.21133	4.8
320.44910	0.5
327.17960	0.7
329.19565	1.5
331.20972	0.6
333.18930	1.6
334.17700	1.7
335.20697	40.8
336.20978	0.8
338.19669	3.7
339.21332	0.5
340.21222	13.0
341.19583	1.1
342.22864	0.9
343.21371	1.2
353.18945	0.7
353.23019	0.7
355.21167	1.0
357.22723	0.8
358.22406	2.7
363.21786	0.6
369.22565	0.7
371.24283	0.8
379.24557	0.7
381.22772	1.1
383.24194	0.9
385.25778	1.1
391.24512	0.8
395.24155	1.0
397.25958	0.7
405.26498	0.8
409.25717	1.7
423.27567	0.8
505.31525	1.2
557.38446	0.8
575.39447	13.7
593.40424	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.01858	1.8
55.05514	9.1
57.03438	4.2
57.03667	0.7
57.07060	1.3
61.02917	1.7
65.03920	1.0
67.05505	24.7
69.03411	2.1
69.07062	7.9
71.04977	2.0
71.08630	17.9
71.56658	1.0
73.02890	1.0
78.40058	0.8
79.05491	18.0
80.25847	0.7
81.02988	1.4
81.03421	14.2
81.06591	1.1
81.07058	21.2
83.04959	4.5
83.08618	4.6
84.81868	0.7
85.02885	4.2
85.06546	1.5
86.09725	1.1
91.03944	1.9
91.04977	1.1
91.05479	13.0
91.21987	0.7
93.07043	14.5
95.04982	6.6
95.08604	10.6
97.02875	1.5
97.06496	4.6
97.10159	4.9
98.98464	30.6
99.04430	0.9
99.08095	13.2
105.04521	1.0
105.07031	11.4
107.04948	1.9
107.08591	11.6
109.02875	5.1
109.06505	2.7
109.10152	9.2
111.08060	2.7
113.09618	0.9
116.95019	0.7
117.07020	3.4
119.08583	7.2
120.19032	0.8
121.06533	1.4
121.10158	4.7
123.08041	1.9
123.11714	1.8
125.09670	4.1
127.03909	2.3
128.06233	0.9
129.06944	2.0
131.00148	1.0
131.08562	2.8
133.10143	5.4
135.08054	2.1
135.11674	5.6
137.06003	1.5
143.08519	1.8
145.04930	0.9
145.10075	3.4
147.06787	0.7
147.08089	0.7
147.11693	5.1
149.09579	0.7
149.13248	3.5
151.11188	12.1
153.09087	2.8
155.01036	4.7
157.10109	1.0
159.11676	2.6
161.09622	0.8
161.13254	7.5
163.06012	1.0
163.11185	4.2
163.14789	1.1
165.12788	1.7
171.11606	1.4
173.02113	2.6
173.11804	1.2
173.13292	1.6
175.14856	1.6
177.12741	1.4
179.14337	6.8
184.07320	1.5
185.13237	1.7
189.11237	3.1
189.12827	1.2
195.13812	0.8
199.14848	1.0
207.13896	1.3
211.49107	0.7
217.19524	0.8
221.15341	1.2
227.12810	2.8
231.21101	1.6
241.19569	2.2
249.21985	1.0
253.17981	2.3
259.20544	5.2
261.03735	2.9
261.13351	1.3
262.50412	0.7
269.17642	1.7
277.21622	28.6
295.22711	1.8
303.04987	1.0
317.06320	1.9
333.24243	1.2
335.07373	3.6
351.25284	100.0
352.25504	1.1
373.15182	1.0
384.52158	0.9
431.21796	2.0
444.88541	0.7
505.78461	0.8
575.25623	0.9
593.26184	1.0
611.33282	1.2
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	Lucenin 2
Peak:m/z	Relative Intensity
55.01863	2.3
56.21698	0.9
57.03435	3.1
61.02918	2.0
69.03421	2.5
69.07056	0.9
69.54192	7.1
70.06585	3.6
73.02911	1.3
74.73611	0.9
76.69077	0.8
79.05473	1.6
81.03425	4.5
81.59666	0.9
84.04489	1.4
84.08131	1.4
85.02908	11.5
86.09698	1.1
93.03394	2.0
95.04982	1.1
97.02891	3.3
98.97589	2.7
99.97334	1.0
103.03934	3.0
107.04955	2.3
109.02879	3.4
121.02833	1.5
121.06480	1.1
123.04350	1.1
131.04933	1.3
133.06407	1.5
135.04443	7.9
137.02342	29.7
137.05946	1.7
145.06491	1.2
147.04385	1.3
147.07674	1.2
149.02336	1.1
153.01807	1.3
159.04463	1.6
161.02324	5.9
161.05861	1.1
163.03883	3.1
165.01808	2.1
171.04434	1.2
173.02409	2.0
175.03888	2.8
176.01021	1.2
177.01863	3.7
177.05475	1.2
179.03374	4.8
187.03908	1.5
188.50974	1.0
189.01813	8.3
190.02669	1.3
191.03441	5.7
195.02855	6.8
199.03999	1.6
201.01833	2.4
201.05530	3.3
203.03412	10.9
205.04947	1.9
207.02904	8.4
209.04378	1.5
211.03929	1.7
213.05411	2.1
214.08603	1.3
215.03368	3.2
215.07082	1.0
217.04874	6.3
219.03038	4.7
219.06541	1.0
221.04498	2.8
225.04054	1.6
225.07683	0.9
227.03300	2.1
229.04918	3.0
231.02994	2.0
233.04425	2.9
235.05884	1.4
239.03426	1.3
239.06924	1.4
242.41701	0.9
243.03069	1.7
243.05582	1.6
245.04546	1.2
250.14346	1.1
255.02904	3.4
257.04498	3.4
265.05002	1.3
267.03040	1.2
267.06479	1.5
269.03394	1.6
273.03879	1.2
273.06424	2.3
283.06006	3.4
284.06863	5.2
285.03812	2.7
285.07300	1.2
287.05502	40.3
295.05920	6.3
296.06851	3.2
297.07465	5.9
299.05490	8.4
300.06284	3.1
303.05075	1.8
307.05936	1.6
309.04089	1.4
309.07526	3.4
310.04706	19.4
311.05484	79.5
312.06198	7.9
313.06995	10.1
321.07626	1.9
323.05499	54.5
323.08871	2.1
324.06207	15.0
325.03461	1.6
325.07040	11.1
329.06580	6.4
334.08148	1.3
335.05594	5.3
335.09036	1.2
336.06335	5.2
337.03171	1.9
337.07025	25.4
338.04196	1.6
338.07822	12.1
339.04904	3.9
339.08517	4.9
341.06552	94.9
345.07489	2.0
349.07068	8.0
351.04962	1.2
351.08694	14.8
352.05682	3.1
353.06540	65.1
355.08176	2.1
361.06894	4.2
362.07629	1.4
363.04745	1.5
363.08667	10.8
365.06564	30.1
367.08173	23.9
371.07614	20.7
373.07059	3.0
377.06421	16.4
377.10379	2.0
379.08215	6.7
381.05740	1.7
381.09818	13.1
383.07547	4.7
389.06540	6.2
390.07263	1.5
391.08105	10.6
393.05637	2.2
393.10059	1.9
395.07565	53.3
401.06628	3.7
403.08066	2.1
405.09680	2.8
407.07629	31.3
409.09097	2.1
415.07663	1.4
417.09866	3.7
419.07562	23.7
425.08627	40.4
429.09753	1.1
431.08163	3.0
433.09207	3.0
437.08676	19.7
437.14566	1.5
443.09763	38.0
445.09354	1.3
447.10385	1.6
449.10788	10.5
451.10425	1.3
455.03448	1.6
455.09766	25.6
461.09692	6.3
467.09290	1.1
473.10797	100.0
479.09543	5.1
485.09283	1.1
491.11758	20.7
497.10785	26.6
503.09326	3.4
509.10574	3.6
515.11859	20.0
521.11072	5.2
527.11810	27.5
531.99438	1.2
539.04407	1.5
539.11859	22.9
545.12878	8.0
557.04663	1.8
557.12927	27.9
568.65582	1.1
575.05017	1.9
575.13977	27.7
593.15045	16.1
611.15491	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	611.1606
Annotation	Luteolin-3',7-di-O-glucoside
Peak:m/z	Relative Intensity
56.96544	0.1
61.42931	0.1
68.99772	0.2
69.03390	0.1
69.78480	0.5
70.06578	0.2
81.07039	0.1
85.02860	0.4
95.04938	0.3
97.02850	0.2
97.06489	0.2
98.21474	0.2
98.97528	0.2
105.07006	0.2
107.08537	0.2
109.02869	0.1
111.08807	0.1
119.08530	0.2
127.03848	0.1
135.04420	0.8
137.02299	0.3
137.05965	0.1
147.11613	0.3
153.00578	0.1
153.01823	2.5
161.02309	0.3
163.65291	0.1
171.02919	0.3
175.49777	0.1
177.05539	0.1
185.69543	0.1
189.12788	0.1
191.14304	0.2
207.13753	0.1
219.01608	0.1
237.02681	0.1
241.05002	0.3
250.14333	0.1
263.05478	0.1
269.04395	0.3
281.10416	0.1
287.05484	100.0
288.05823	0.8
329.06509	0.1
341.06754	0.1
350.49927	0.1
417.19778	0.1
449.10800	18.1
450.11368	0.1
457.65720	0.1
546.47314	0.1
559.72614	0.1
611.15741	1.2
611.24292	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23966	0.2
55.05501	0.2
56.96563	0.2
57.03415	0.4
59.28143	0.2
61.02910	0.4
67.01841	0.3
67.05485	0.4
68.88577	0.2
68.99782	0.2
69.03388	0.7
69.07046	0.3
69.77689	0.9
70.06589	0.9
71.04961	0.3
73.02901	0.4
79.05479	0.3
80.04994	0.3
81.03401	0.4
81.07033	0.3
81.93996	0.2
84.08149	0.2
85.02919	1.4
91.03931	0.2
91.05434	0.6
93.07010	0.3
95.04936	0.2
97.02862	0.8
97.06529	1.1
98.97585	0.4
105.06989	0.5
107.08549	0.3
109.02850	0.3
109.06532	0.2
109.10104	0.3
109.78742	0.2
110.09638	0.3
112.99136	0.2
115.03835	0.3
121.10118	0.2
127.03861	0.4
133.10097	0.3
135.04410	0.8
137.05959	1.0
138.06374	0.3
138.09084	0.3
140.07024	0.9
141.07347	0.3
145.96449	0.2
149.01335	0.2
153.01820	3.0
161.02261	0.2
164.25810	0.2
171.02853	0.2
179.03551	0.2
187.07503	0.2
197.11647	0.3
199.08412	0.4
203.03418	0.2
206.15347	0.2
215.69409	0.2
219.01688	0.3
224.08046	0.3
228.06439	0.2
233.11656	0.6
234.12146	0.3
241.04930	0.3
250.14319	1.0
251.14732	0.4
259.05847	0.2
269.04639	0.3
286.04739	0.3
287.05496	100.0
288.05789	0.7
303.04999	0.8
314.15573	0.2
317.50891	0.2
329.06219	0.2
395.60849	0.2
398.25284	0.5
399.25555	0.5
403.16788	0.2
431.18774	0.7
449.10809	43.0
450.11099	0.7
455.12347	0.2
498.65842	0.2
561.31165	0.4
579.32306	0.5
593.23914	0.7
611.16028	1.4
611.25867	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	610.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01118	1.5
65.01279	1.3
67.05512	1.8
71.56583	2.1
73.04762	59.2
81.07040	2.3
91.05804	76.9
107.08588	1.2
114.07374	16.7
118.75540	1.2
121.10180	1.5
137.50601	1.3
149.04514	8.4
167.05560	25.1
171.63339	1.4
175.14792	1.2
190.07201	3.1
221.08441	5.0
225.04321	4.6
235.87578	1.2
239.09496	33.6
258.63867	1.3
264.12756	1.2
266.99881	8.5
268.53793	1.2
268.97861	18.1
272.94318	1.6
279.61127	1.3
281.05167	2.3
283.03098	7.4
284.97705	1.8
285.00949	38.7
286.01013	1.3
299.06195	32.2
303.02081	2.8
312.66077	1.3
344.97708	8.7
355.06998	100.0
356.06927	2.7
359.61050	1.4
371.10172	2.7
373.08093	8.2
400.98129	1.9
402.96378	6.5
415.03406	7.3
418.99701	9.6
448.21295	1.4
489.05402	3.6
549.27393	2.6
550.27826	4.0
609.29688	2.6
609.52612	1.5
610.19104	2.5
610.29791	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	611.1606
Annotation	Luteolin-3',7-di-O-glucoside
Peak:m/z	Relative Intensity
56.96542	0.2
59.05508	0.1
61.02908	0.1
63.47733	0.1
67.01848	0.2
67.05499	0.1
68.99798	0.2
69.03432	0.4
69.38589	0.5
70.06557	0.2
70.43304	0.1
79.05462	0.1
81.03387	0.2
81.07034	0.1
85.02911	0.4
87.04437	0.1
91.03909	0.1
91.05467	0.1
97.02853	0.3
97.06539	0.4
98.21487	0.2
98.97562	0.2
105.07034	0.1
110.09685	0.1
127.03893	0.1
128.52092	0.1
133.04985	0.1
133.10098	0.1
135.04413	0.8
137.02353	0.2
137.06007	0.4
147.11644	0.1
153.01831	3.0
161.02325	0.3
163.55449	0.1
171.02855	0.2
179.03337	0.1
191.14293	0.1
198.11261	0.2
209.01576	0.1
216.12291	0.3
219.06464	0.1
233.11665	0.1
241.04901	0.3
245.04651	0.1
250.14380	0.2
263.05521	0.1
269.04453	0.3
286.04755	0.2
287.05499	100.0
288.05838	0.6
329.06506	0.1
332.11685	0.1
386.35095	0.1
431.18829	0.2
449.10806	39.2
450.11157	0.3
469.81842	0.1
593.24634	0.1
611.15747	2.0
611.24622	0.4
614.88635	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4516
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03947	1.3
55.01870	1.1
55.05512	10.4
57.03444	2.7
57.07072	1.7
59.06084	0.4
65.03948	1.1
65.98950	0.5
67.05507	16.5
69.07069	8.8
70.73427	0.7
70.73757	0.8
71.04990	1.2
79.05061	0.9
79.05498	11.8
81.07057	17.6
83.04984	1.5
83.08624	5.5
85.06558	1.2
89.26467	0.5
91.05482	9.6
91.06023	0.8
93.07045	13.5
95.04980	1.3
95.08609	15.7
97.06551	1.8
97.10159	3.0
99.08109	0.8
105.07040	10.8
107.08595	8.4
109.06533	0.7
109.10159	7.3
111.08124	1.3
115.05466	1.2
117.07013	7.1
119.08586	10.3
119.09451	0.6
121.10143	5.7
123.08070	0.9
123.11693	2.4
125.09630	1.1
128.06209	2.7
129.07004	9.3
131.08571	9.4
133.10127	7.9
135.11710	3.2
137.09633	0.8
137.13261	0.7
141.06999	4.5
142.07820	2.5
143.08557	11.7
145.10124	10.8
147.11705	5.0
149.13268	1.6
151.14911	0.6
153.06996	1.1
154.07779	1.2
155.08553	10.4
155.09717	0.8
156.09363	1.2
157.10132	12.3
159.11707	6.9
161.13243	3.0
163.11218	0.6
163.14833	0.6
165.07018	1.2
166.07841	0.8
167.08548	4.4
168.09401	1.1
169.10117	11.7
170.10919	0.8
171.11685	10.5
173.13287	4.6
175.14856	2.0
177.16391	0.7
179.08598	1.9
180.09357	0.9
181.10133	6.3
182.10933	1.0
183.11703	11.4
183.13237	0.9
184.12421	0.6
185.13260	8.3
187.14844	3.3
189.16383	0.8
193.10199	2.7
194.10930	0.9
195.11720	8.5
195.13429	0.7
196.12434	0.9
197.13269	10.6
197.15010	0.7
199.13225	0.8
199.14832	5.3
201.16388	1.2
205.10245	0.7
207.11746	3.2
208.12231	0.5
209.13255	7.0
210.13957	0.6
211.14835	6.8
213.16370	3.5
215.18008	0.8
219.11726	1.0
221.13272	2.6
223.14825	5.2
225.16359	4.7
227.18025	3.1
229.19450	0.9
233.13411	0.9
235.14867	2.0
236.15642	0.6
237.16420	4.0
239.17955	3.0
241.19604	1.6
244.29802	0.5
246.14381	0.6
247.14844	1.3
249.16374	1.5
251.17867	2.6
253.19598	1.6
255.17426	0.8
261.16415	0.9
262.17001	0.5
263.17953	0.8
265.19574	2.0
267.21219	1.1
269.19000	0.6
275.17868	0.7
277.19595	1.2
279.21033	0.7
281.22565	1.1
283.20517	0.5
293.19220	0.8
293.22681	1.0
297.22232	0.7
299.19980	0.5
307.24167	0.6
309.22058	0.9
311.23679	0.7
321.22232	0.6
323.23743	1.5
327.23294	0.5
335.23779	0.9
337.25259	1.0
339.23233	0.8
341.24933	0.7
347.23724	0.7
349.25290	1.9
351.27008	1.9
355.26315	0.6
361.25385	0.7
363.26895	0.9
365.28586	1.3
369.28046	0.6
375.26630	0.6
377.28467	1.2
379.30161	0.7
391.30099	1.1
393.31845	0.9
395.29596	0.6
403.29871	0.5
405.31668	1.3
407.29099	0.7
409.30692	0.7
417.31873	0.7
421.30945	0.8
435.32349	0.9
447.32620	1.7
449.34122	0.6
461.33710	1.1
462.61496	0.5
499.39740	2.3
501.36060	0.6
515.38531	0.7
517.40430	13.1
521.35864	1.0
527.37433	0.9
535.41724	6.0
539.37341	1.6
553.41284	0.7
555.42303	0.7
565.42999	0.7
573.42810	2.1
591.44049	16.9
609.45117	100.0
610.45410	1.3
632.29053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4124
Annotation	Ulmicin A
Peak:m/z	Relative Intensity
50.74055	0.8
61.14684	0.7
66.32189	0.7
67.05508	0.9
67.43381	0.8
69.40559	3.3
69.40962	2.2
81.07093	0.9
83.00409	0.8
93.07065	1.2
95.35901	0.7
105.07091	0.7
131.08588	0.8
143.31389	0.8
171.57684	0.7
202.64418	0.8
315.19434	2.2
491.82547	0.9
514.91302	0.8
591.40216	19.1
609.26196	3.4
609.41248	100.0
610.41803	1.7
634.01483	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4514
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03935	0.8
55.01864	1.1
55.05510	11.3
57.03440	3.1
57.07066	2.0
60.11992	0.4
60.64856	0.4
65.01569	0.4
65.03934	1.0
67.05505	18.5
69.07071	8.8
71.04997	0.9
71.08639	0.5
79.05496	13.5
81.07059	21.1
83.04980	0.8
83.08620	5.8
85.06543	1.4
91.05483	10.7
93.07036	14.2
94.84691	0.4
94.86987	0.4
95.04958	1.1
95.08604	17.1
97.06522	1.9
97.10174	3.1
98.21613	0.9
99.08093	0.9
103.05466	0.7
105.07036	12.8
107.08598	9.2
109.06496	0.6
109.10165	6.5
111.08068	0.5
115.05469	0.9
116.06182	0.5
117.07018	7.1
119.08582	10.4
121.10143	6.0
123.11715	1.9
125.09653	1.5
128.06221	1.9
129.05510	0.6
129.07010	8.7
130.07819	0.5
131.08580	11.1
133.10133	8.7
135.08035	0.5
135.11710	3.4
137.09631	0.6
137.13268	1.0
139.11198	0.6
141.06981	3.5
142.07809	2.3
143.08553	12.1
144.09409	0.6
145.10120	9.7
147.11681	5.0
147.18025	0.5
149.09541	0.4
149.13307	1.9
153.07005	1.4
154.07785	1.1
155.08549	8.9
155.09723	0.8
156.09389	1.9
157.10129	11.2
158.10846	0.5
159.11699	8.2
161.13275	2.3
163.11273	0.6
163.14822	0.8
165.07025	1.3
166.07822	1.0
167.08560	4.5
168.09383	1.5
169.10126	13.0
170.10884	0.9
171.11699	10.3
171.13158	0.8
172.12546	0.4
173.13281	5.2
175.14795	1.7
177.16432	0.6
179.08553	1.9
180.09377	1.2
181.10110	6.5
182.10968	1.0
183.11693	12.8
184.07341	0.5
184.12343	0.7
185.11691	0.5
185.13261	7.7
187.11159	0.6
187.14819	3.4
188.23331	0.4
189.16370	0.9
193.10161	2.8
194.10847	0.6
195.11711	8.2
196.12480	0.8
197.13263	9.6
199.14839	4.7
201.16409	1.8
203.17792	0.5
205.10017	0.8
207.11697	2.7
208.12495	0.5
209.13254	7.7
209.15097	0.7
211.14806	6.1
213.16447	4.1
215.18060	0.9
219.11726	0.8
221.13213	2.6
223.14835	6.1
225.16394	4.2
227.18047	2.1
233.13268	1.3
235.14790	2.2
237.16397	3.8
239.14351	0.5
239.18037	2.7
241.19699	1.3
247.14839	0.9
249.16438	1.3
251.17973	2.7
253.19595	1.4
255.17308	0.6
261.16299	0.7
263.17899	1.1
265.19418	1.3
267.21326	0.8
271.20547	0.7
275.20197	0.7
277.19510	0.7
279.21115	0.8
281.19040	0.6
281.22559	0.7
283.20593	0.6
285.22067	0.7
293.19202	0.5
293.22800	0.6
297.22104	0.5
299.20224	0.6
307.24213	0.7
309.22043	1.0
311.20200	0.6
311.23712	0.6
314.96045	0.4
321.22070	1.0
323.23615	0.8
327.23364	0.5
335.23639	1.1
337.25204	1.3
341.24689	0.9
343.26807	0.6
349.25192	1.2
351.23035	0.6
351.26837	1.8
353.24686	1.0
363.26694	1.2
365.28433	1.6
377.28555	0.7
379.30112	1.3
389.28564	0.8
391.29962	0.7
393.31723	0.9
395.29410	0.5
405.31671	1.0
421.30859	1.0
425.30472	0.6
429.31778	0.6
433.30612	0.6
435.32846	0.6
447.32126	1.6
449.34247	0.6
461.33746	0.6
485.91766	0.6
499.39642	1.1
501.35812	0.8
503.34247	0.5
515.38171	0.6
517.40344	11.4
521.36517	0.6
527.37274	0.6
535.41431	5.8
539.37384	1.4
541.38647	0.5
553.42523	0.7
555.41327	0.6
573.43066	2.0
591.44122	13.9
591.52106	0.5
609.45148	100.0
610.45160	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11700	1.7
53.03947	5.2
55.01876	3.0
55.05513	7.4
56.96568	3.0
57.03444	8.1
61.02934	14.6
63.65682	1.6
67.05508	13.0
69.03431	15.0
69.07070	5.3
70.06588	4.8
71.01366	1.7
71.04998	4.9
71.56185	3.0
73.02909	5.7
79.05494	16.3
81.03423	72.0
81.07056	23.5
83.04971	15.0
83.08619	20.2
85.02906	27.7
91.03958	13.1
91.05482	17.8
93.07028	14.0
95.04981	23.3
95.08617	5.8
97.02892	23.4
97.06536	4.7
97.10205	2.4
98.97598	4.1
99.04449	5.9
100.20555	2.0
105.07029	16.6
107.04964	6.6
107.08590	5.0
109.02889	7.8
109.06507	4.0
109.10175	3.1
111.04427	2.7
111.08085	8.3
117.07054	1.8
118.74550	1.9
119.04916	1.9
119.08598	11.8
121.06519	4.0
121.10146	7.3
123.04446	6.5
127.03931	11.4
129.05511	2.7
129.07022	12.0
131.08578	9.3
133.06494	2.6
133.10133	10.2
135.11685	1.8
137.06017	2.0
143.08568	2.3
144.18668	2.0
145.04958	7.0
145.10136	3.3
147.11685	17.0
149.09639	3.1
157.10126	9.7
163.06036	5.8
163.11246	3.2
165.12776	4.7
173.04440	2.3
175.11208	15.1
181.04976	1.7
182.86122	1.7
183.06453	3.0
193.12248	59.1
195.90497	1.6
211.13292	36.5
217.12425	2.4
229.14485	2.4
235.13316	3.5
244.10054	1.7
246.65089	1.8
252.87520	1.8
258.05148	2.0
259.13120	1.9
267.15924	43.9
273.14780	3.8
285.16977	100.0
286.04697	7.1
301.07050	23.4
301.14236	3.2
309.17041	11.5
324.11551	2.7
325.84717	2.4
337.03638	1.6
349.13254	4.0
363.18265	3.5
375.17883	3.4
393.19016	5.3
411.20169	7.3
429.21249	19.6
447.16495	3.6
457.60040	2.1
609.21570	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	609.2707
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
60.11016	0.3
67.05501	1.3
69.07063	0.6
69.87953	0.8
69.88354	1.0
70.22729	0.3
71.64410	0.3
79.05486	1.0
81.07058	1.2
83.08627	0.4
91.05478	1.0
93.07050	1.0
95.08606	1.1
97.06565	0.3
98.21474	0.3
105.07036	0.8
107.08602	0.8
109.06479	0.4
109.10142	0.6
119.08581	0.7
121.10198	0.4
128.06152	0.4
129.06996	0.5
131.08588	0.7
133.10182	0.6
134.44795	0.3
135.11710	0.5
145.10201	0.7
157.10138	0.4
159.11642	0.4
169.10136	0.4
171.11676	0.5
175.45302	0.3
183.11780	0.4
183.37885	0.3
199.14981	0.3
223.12230	0.5
233.17776	0.3
280.09286	0.3
293.09085	0.4
315.19147	0.5
328.00464	0.3
374.16806	0.3
384.07928	0.4
385.09476	0.4
389.18430	0.6
391.19235	0.7
402.18695	0.4
403.19516	0.6
405.21103	0.8
406.21844	0.3
413.17856	0.5
415.19208	1.4
416.19897	0.6
418.21713	0.5
419.17819	0.6
419.22653	1.0
421.20306	0.6
428.19855	0.4
429.20859	2.6
430.21567	1.2
431.18689	1.2
432.19403	0.7
433.24048	1.8
434.20639	0.6
443.22501	1.5
444.23706	1.8
445.23941	1.3
447.17816	1.1
447.22113	1.6
449.23550	1.1
457.20013	0.5
458.25131	0.7
459.21527	4.7
460.22891	2.3
461.19217	2.0
461.23691	3.1
462.20093	2.5
463.20920	0.9
468.37592	0.6
471.21823	0.7
472.22592	2.3
473.23990	0.5
474.19708	0.4
475.20886	0.9
475.25983	0.6
476.21927	2.1
477.22641	2.0
485.23370	1.1
487.25183	3.9
489.23087	1.4
493.26425	0.7
494.22537	0.4
503.25290	1.8
505.26425	0.4
518.23083	0.4
519.23785	2.1
521.21509	3.1
531.23944	25.3
532.24487	1.2
534.22766	0.6
549.24994	13.0
563.26465	1.3
591.25964	3.3
609.27063	100.0
610.27356	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.271
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
50.80482	0.2
54.08828	0.2
63.00441	0.2
71.42390	0.4
81.07047	0.3
117.07022	0.3
133.10088	0.2
159.11734	0.2
167.03110	0.2
209.10843	0.4
210.11554	0.3
223.12386	0.2
224.13129	0.3
225.13942	0.2
237.13893	0.4
238.14665	0.3
239.15462	0.4
251.15398	0.3
375.16260	0.3
375.52972	0.2
376.17026	0.5
377.17419	1.0
378.18732	0.3
389.18353	0.8
390.18594	0.9
391.19257	1.7
392.20050	1.2
393.21045	0.5
400.16812	0.4
401.17975	0.7
402.19147	0.3
403.19342	0.6
404.15991	0.4
404.20700	0.6
405.21088	2.6
406.21561	1.3
407.22318	2.8
412.16528	0.2
414.18909	0.5
415.19156	2.0
416.20349	0.5
417.16345	0.3
417.21234	0.5
418.17224	0.3
418.22101	0.4
419.18610	1.2
419.22540	1.1
420.23209	0.6
421.23935	3.7
422.24649	0.5
427.19250	0.5
428.20044	0.5
429.20810	2.0
430.22058	1.1
431.18658	0.8
431.23309	0.3
432.19522	0.6
433.19882	1.1
433.24261	1.0
435.21649	0.5
441.21365	0.3
442.21344	0.6
443.22318	0.8
444.23383	0.6
445.20895	1.0
446.21094	0.3
447.18213	2.2
448.18573	0.4
449.23480	0.9
452.22076	0.4
457.24808	1.3
459.22079	1.9
460.22635	1.3
461.19113	4.7
462.20270	2.1
463.20926	1.3
464.21603	0.3
465.22690	0.4
470.21042	0.3
471.18240	0.7
472.22971	0.6
473.19769	0.8
474.20651	0.8
475.21057	7.4
476.21927	5.8
477.22510	3.9
478.23761	0.4
479.24481	0.8
485.23611	6.2
486.20190	2.3
487.20807	0.7
487.25296	0.7
488.22150	1.2
489.23004	5.0
490.19830	0.3
493.21487	1.2
494.26810	0.8
497.23462	0.5
499.21341	3.9
500.22156	1.0
502.23892	0.5
503.24573	7.0
504.21198	0.7
504.25256	0.7
505.22751	0.9
507.23755	0.7
513.22699	1.1
514.23749	0.3
515.24426	5.5
517.22321	1.9
518.23010	0.6
519.23853	0.4
521.26044	3.0
531.23969	9.8
533.25555	0.6
535.23322	0.9
541.22186	0.6
548.24365	0.3
549.24939	2.3
550.25775	4.4
559.23334	5.1
563.26636	1.3
577.24335	1.5
591.26031	11.1
609.27057	100.0
610.27472	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2705
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
62.32704	0.4
64.91894	0.5
69.96303	2.2
82.93640	0.4
106.02075	0.5
106.43083	0.4
116.69288	0.4
150.29716	0.5
195.62007	0.5
198.49316	0.5
237.13974	0.5
292.82474	0.5
377.17780	0.7
389.18811	0.7
390.18613	1.0
391.18887	2.3
392.20016	1.4
400.17636	0.5
401.17447	0.6
403.19748	1.4
404.20453	1.3
405.20886	2.1
406.21686	1.8
407.22397	3.1
413.17654	0.7
415.19186	1.1
417.21017	0.7
418.22034	0.7
419.22913	1.0
420.23428	1.2
421.23886	4.3
422.24713	0.7
427.19485	0.7
429.20682	3.4
430.21829	1.6
431.23016	0.6
433.20178	1.9
433.24982	0.9
442.21500	0.7
443.22577	1.4
444.23056	1.4
445.20853	0.8
447.18384	1.7
449.24060	0.7
451.21750	0.6
457.24420	2.4
459.22098	2.4
460.22382	1.4
461.19049	4.1
462.20554	2.1
463.21393	1.6
472.22565	1.0
473.19748	0.8
474.20242	1.1
475.20752	6.7
476.21573	6.3
477.22430	4.6
485.23572	8.4
486.20486	3.2
487.25916	0.7
489.23019	4.7
497.22876	0.7
499.21576	2.2
500.22086	1.2
502.23044	0.8
503.24615	5.8
504.24680	0.7
505.22806	0.6
507.23645	0.7
513.22827	1.4
515.24445	7.0
517.22375	0.8
521.26563	2.5
531.23993	14.6
535.23669	0.9
541.23004	1.1
548.24036	0.6
549.24963	1.7
550.25830	4.6
559.23517	6.8
577.24597	0.9
591.26074	29.6
609.27057	100.0
610.27429	2.0
629.33521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
67.05508	0.8
76.64696	0.7
80.97382	0.6
81.07035	0.7
97.06510	0.7
99.08779	0.6
159.74788	0.7
315.19409	3.2
320.16068	0.6
368.51413	0.8
381.29385	0.9
474.21008	0.8
475.21429	2.7
487.21988	0.7
495.55585	0.6
503.24399	2.2
516.22144	0.8
531.24420	1.4
548.24036	1.0
575.22809	2.2
607.25360	10.3
607.39703	100.0
608.40210	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
53.47034	2.4
55.01876	12.5
55.05264	3.3
55.05513	45.1
57.03432	7.3
57.07066	7.5
57.32289	1.8
58.06506	2.0
59.04997	4.1
61.02938	2.9
65.03928	3.6
67.05506	80.3
69.03430	5.6
69.07074	32.8
69.78591	11.8
69.85146	2.3
71.04997	5.6
71.08633	26.3
73.06577	1.9
79.05062	3.8
79.05495	48.4
81.03409	7.3
81.07062	92.8
83.05006	10.6
83.08623	29.6
85.06540	6.9
85.10175	3.5
86.09697	3.3
91.05483	45.0
93.07046	73.8
93.58590	2.3
95.04983	14.6
95.08610	52.4
97.06547	16.4
97.10174	24.4
99.08093	20.3
105.07040	32.6
107.04961	3.1
107.08604	41.7
109.06546	4.1
109.10169	23.1
111.08102	11.6
113.09641	5.3
117.07014	10.3
118.68948	2.1
119.08586	26.0
121.06516	2.7
121.10143	25.4
123.08031	3.6
123.11721	6.9
125.09621	21.1
128.06166	2.4
129.07013	7.2
131.08560	17.9
133.10135	28.2
135.08067	3.4
135.11703	21.7
137.09630	5.0
137.13223	2.9
139.11182	6.4
140.62172	2.1
143.08537	5.9
145.10129	12.9
147.11662	16.2
149.09666	5.8
149.13261	24.7
151.11191	25.5
153.09068	2.7
155.10626	2.6
157.10149	6.8
159.11681	13.2
161.09590	2.2
161.13263	16.6
163.11201	14.0
163.14822	2.5
165.12743	7.8
167.10724	4.3
169.10161	2.5
171.11687	7.4
173.11862	3.0
173.13261	7.3
175.11217	3.6
175.14877	7.5
177.12790	18.0
179.14328	10.4
181.12329	2.1
185.13219	6.0
187.14774	2.4
189.11252	25.4
189.12790	3.1
193.15916	2.4
195.13802	28.6
199.14841	3.6
201.16525	2.6
207.13760	2.3
213.14818	5.1
221.15294	3.5
231.21024	4.2
235.16785	2.4
241.19498	6.6
249.22189	6.4
259.20639	11.5
277.21646	100.0
279.23270	3.8
293.21054	10.3
295.22699	24.3
301.25009	2.7
305.24841	3.6
317.24670	2.5
319.26254	2.9
355.26324	2.4
365.23358	2.8
371.25824	3.1
401.34241	4.4
403.32095	5.3
459.34647	2.9
471.34689	5.3
475.34256	4.5
489.35541	5.0
553.42456	3.7
571.43652	11.2
589.44476	6.0
607.34540	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	607.2914
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
52.08474	0.5
53.67974	0.5
70.16017	0.5
70.18433	0.4
71.27297	0.6
132.91464	0.5
163.24989	0.6
220.20712	0.5
226.28938	0.5
262.58749	0.5
389.17780	1.0
401.17621	1.5
402.18527	1.3
403.19150	4.2
404.19879	1.6
405.20679	0.9
415.19498	1.2
416.20190	1.1
417.15939	0.8
417.21387	4.8
418.21829	2.4
419.22382	3.2
430.21921	0.7
431.18039	7.9
431.23624	0.9
432.19070	1.2
433.24051	11.6
434.24622	1.1
444.24130	0.6
445.19846	10.0
446.20789	4.6
447.21692	3.5
459.21448	3.9
460.22626	12.5
461.23431	15.3
473.23819	3.6
474.24216	1.4
487.25287	1.5
492.25644	0.7
505.22610	1.8
506.26672	0.7
515.24298	0.7
519.28546	2.4
532.24957	1.3
547.27069	46.3
548.27307	1.2
575.26849	1.2
579.29700	0.8
607.29169	100.0
608.29407	1.3
628.22943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.3
55.05476	0.7
58.99839	0.8
60.32674	0.3
61.34602	0.4
67.05454	1.0
67.05801	0.3
69.07035	0.3
70.56474	0.9
77.00901	2.6
79.05459	0.7
81.07069	1.5
88.98521	0.3
91.05436	0.9
93.07020	0.5
95.01911	1.2
95.04911	0.3
95.08574	0.7
97.02868	0.4
99.05774	0.3
100.02439	0.4
105.07001	0.9
107.08537	0.6
109.10106	0.4
109.96428	0.3
113.24529	0.3
119.08557	0.6
121.86693	0.4
123.40504	0.3
131.08549	0.6
133.10124	0.4
145.10086	0.6
153.03970	0.5
155.05472	0.5
157.03358	0.4
167.05463	0.4
169.07074	0.6
171.05034	0.4
173.06572	0.8
179.05556	0.4
181.07007	0.6
182.04187	0.6
183.08649	0.8
183.11641	0.4
187.08115	1.2
188.05269	0.4
193.06972	0.3
194.04247	0.5
195.08687	0.9
197.10075	0.9
199.08101	0.7
201.09720	2.9
203.09219	0.6
205.10815	0.5
207.05089	2.9
207.08618	0.4
209.10196	1.2
210.07327	0.5
211.08078	0.4
213.09714	0.9
215.11243	1.2
217.14302	0.4
219.10643	0.7
221.06615	1.9
221.10042	0.4
223.11769	1.7
225.06047	0.7
227.11292	1.1
229.12799	0.9
231.12248	0.5
233.10295	0.4
235.15431	0.4
237.13460	2.7
239.11226	0.7
241.12854	0.9
247.11794	0.5
249.09784	0.3
251.11192	0.7
251.14790	0.5
255.14337	2.7
261.13254	0.5
263.11285	0.9
263.14603	0.3
264.12054	2.3
265.12808	1.9
269.12222	0.7
271.15509	0.5
273.17169	2.6
277.12915	1.5
277.16272	0.3
281.12375	0.9
282.13071	1.0
283.13922	1.1
289.16467	2.6
291.14679	0.6
291.17984	8.6
295.13675	0.5
297.17099	1.1
303.18002	1.4
309.15509	0.5
309.19034	4.5
313.16486	1.3
314.19705	0.6
315.18036	14.2
333.19098	100.0
334.19412	1.4
351.20148	5.2
356.20694	11.4
357.20978	0.6
607.38428	91.1
608.38483	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2915
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
54.44907	0.1
64.19038	0.1
64.38468	0.1
68.19261	0.1
71.22199	0.3
79.50219	0.1
80.02261	0.1
86.41631	0.1
97.88595	0.1
137.17479	0.1
160.83800	0.1
161.61931	0.1
182.37523	0.1
209.10591	0.2
211.12215	0.1
221.10660	0.2
225.13733	0.2
247.12294	0.1
249.10184	0.1
283.26764	0.1
285.13931	0.1
300.14856	0.1
310.13089	0.1
326.15811	0.1
376.17926	0.1
387.16040	0.3
388.17026	0.3
389.17538	1.3
390.18692	0.3
391.19150	0.3
401.17719	0.5
402.18530	0.9
403.19257	3.2
404.20026	0.9
404.69922	0.1
405.20853	1.7
406.21310	0.2
415.19220	0.5
416.15369	0.2
416.20416	1.0
417.16571	0.7
417.21426	3.1
418.21729	2.1
419.22372	3.1
420.23203	0.2
429.16370	0.2
429.21405	0.3
430.16977	1.0
430.22250	0.4
431.18130	7.6
432.18600	1.5
432.23904	0.5
433.24127	6.9
434.24841	1.2
443.18262	0.3
444.19479	0.6
445.19818	8.9
446.14609	0.2
446.20712	4.5
447.21716	4.1
448.18845	0.1
449.23553	0.3
457.20212	0.1
458.21091	0.3
459.21494	4.4
460.22540	9.6
461.23343	9.3
462.19617	0.2
462.24460	0.2
463.21008	0.2
464.22299	0.2
472.22534	0.2
473.23764	2.9
474.24347	1.0
476.22263	0.3
477.22986	0.8
485.19775	0.1
487.25174	1.4
488.25452	0.5
489.22906	0.6
491.19882	0.2
491.24759	0.4
492.25089	0.8
501.22556	0.2
503.20862	0.1
505.21780	2.7
506.26813	0.5
515.24396	0.6
518.23260	0.6
519.24127	1.7
520.24384	0.2
532.24683	0.9
533.25287	0.5
546.23212	0.2
547.27069	27.9
548.27112	0.7
549.25305	0.2
575.26587	0.8
577.24408	0.2
578.25140	0.4
579.29718	0.7
592.27277	0.2
600.66803	0.1
607.29132	100.0
608.29462	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2552
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
55.05514	0.3
64.06519	0.3
69.53329	0.6
69.53737	1.2
80.12965	0.3
81.07042	0.5
95.08617	0.4
98.21514	0.5
105.07023	0.4
107.08616	0.3
128.96561	0.3
204.06621	0.3
222.11705	0.3
251.11850	0.5
275.60059	0.3
284.49652	0.3
374.15475	0.3
375.16251	0.8
387.16171	0.6
388.16946	0.4
389.17804	2.5
390.18729	1.0
391.19263	0.9
401.18088	0.6
402.14087	0.4
402.18594	1.1
403.14847	0.5
403.19489	3.9
404.20102	1.5
405.20837	2.7
415.19992	0.3
416.15826	0.5
416.20618	0.5
417.16232	3.9
417.21188	1.9
418.17776	1.2
418.22324	0.7
419.17725	0.4
419.22449	5.1
420.23004	0.6
430.17752	0.7
431.18393	7.3
432.19330	3.1
433.20062	3.5
435.22018	0.4
445.20255	5.0
446.20978	6.8
447.21707	7.5
448.22873	0.5
459.17712	0.9
459.22095	1.3
460.18307	0.3
461.19672	1.8
462.24265	0.4
463.20868	0.5
463.25696	0.5
473.18939	0.5
473.24265	0.4
474.20465	4.6
475.20966	3.9
477.23334	0.5
478.23587	0.8
487.21347	1.9
488.21869	0.7
490.23618	0.7
491.20267	3.4
501.22910	0.8
503.24698	0.3
505.22366	0.9
506.23224	0.5
518.23108	0.3
519.24084	15.8
529.22498	0.5
547.23376	14.3
548.23401	0.5
551.26880	0.3
561.24774	0.5
575.23010	0.3
579.25958	5.9
579.34650	0.5
589.24524	0.4
607.25513	100.0
608.25732	1.5
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
55.01870	2.2
55.62561	0.5
57.03440	1.0
57.43824	0.5
57.54665	0.5
61.02908	0.5
67.05502	2.5
69.03428	2.4
69.07073	7.9
69.69064	2.8
70.06587	1.9
73.02898	0.8
79.05493	7.5
81.03395	0.6
81.07061	1.4
84.08152	0.9
85.02900	3.0
87.04477	1.1
89.74474	0.6
91.05486	11.4
93.07030	0.7
95.05016	0.7
97.02888	2.2
97.06533	86.8
98.06815	0.6
98.97583	1.4
105.07047	2.3
107.04921	0.8
107.08633	0.8
109.06464	0.6
109.10149	0.7
115.03945	1.8
119.04945	5.7
123.04459	0.6
123.71294	0.6
127.03930	0.6
128.98592	0.6
133.04974	1.1
133.06509	0.9
135.04404	1.2
137.05984	58.7
147.04407	4.8
149.06003	1.7
163.07552	1.3
189.09108	8.6
205.07118	0.7
215.10774	1.0
219.01843	0.8
221.04996	0.7
229.14349	1.7
233.11734	93.9
234.12057	1.5
244.15512	0.7
250.14395	100.0
268.15094	0.5
288.06241	0.6
288.27045	0.5
304.78165	0.7
307.10220	1.0
379.66376	0.6
439.14383	1.3
455.12177	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01863	8.2
55.05516	18.1
67.05509	23.5
69.03431	2.4
69.07076	10.1
70.01476	5.3
79.05499	19.7
81.03437	2.5
81.07059	40.7
83.04968	7.3
83.08607	10.7
85.06532	2.9
91.05487	13.0
93.07053	20.2
95.04987	11.0
95.08624	9.0
97.06526	6.0
97.10175	19.1
105.07032	12.7
107.04952	4.5
107.08598	14.5
109.06517	5.4
109.10137	6.1
111.04455	6.9
111.08050	4.1
115.05463	2.2
117.07023	10.5
119.08580	18.7
121.06507	4.2
121.10156	12.9
123.08087	4.8
125.09669	14.7
129.06992	3.8
131.08600	9.5
133.10124	7.0
135.08040	3.6
135.11697	5.7
139.11157	2.1
143.08545	4.2
145.10172	10.9
147.08055	10.5
147.09146	2.0
147.11699	4.1
149.09579	4.9
153.09100	4.4
153.12735	2.3
157.10130	3.8
159.08028	2.9
159.11693	3.4
161.09602	3.4
163.11140	8.1
165.09103	5.2
169.10007	1.9
171.10057	2.0
171.11646	4.1
175.11031	2.7
181.12225	5.3
189.11290	13.5
223.13255	7.4
227.12776	6.7
227.17957	1.9
249.14888	3.5
255.17477	3.1
261.22198	4.2
273.18500	23.0
275.20087	10.3
277.21637	2.3
291.19565	100.0
293.21027	4.1
309.20636	5.9
321.09818	2.1
431.31580	3.0
545.25232	3.1
605.28241	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	605.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53829	0.3
50.70088	0.3
56.96566	25.8
56.96835	0.9
58.46772	0.3
59.15364	0.3
61.02901	0.5
67.05486	0.9
69.07054	0.7
69.83303	1.4
70.98118	0.3
71.01312	0.4
71.95265	2.0
72.96006	1.0
74.97597	0.5
75.56935	0.4
79.05471	0.7
81.07046	1.0
83.04986	0.4
84.95993	0.8
85.02866	0.9
86.09657	0.4
90.74445	0.3
90.81283	0.3
91.03944	0.5
91.05470	0.8
93.07003	0.6
95.08592	0.4
97.06499	1.1
98.97567	0.7
105.00146	1.1
105.06992	0.9
107.08577	0.6
107.76215	0.4
109.10136	0.6
110.97548	0.9
112.99082	0.4
115.00687	0.4
116.98528	0.5
119.01675	0.4
119.08552	0.6
121.10167	0.6
123.01174	1.0
123.11584	0.4
125.71850	0.3
127.00662	0.6
128.98569	0.7
131.00194	0.5
131.08578	0.4
133.10085	0.4
137.02747	1.8
137.06033	0.4
139.00659	3.6
141.02200	1.3
145.01720	0.6
147.06792	0.5
149.74818	0.3
151.00685	2.1
153.01114	0.5
153.02246	7.4
155.03876	1.7
157.01694	1.2
161.01257	0.4
163.04259	0.7
165.02182	1.4
167.03806	2.3
169.01744	2.0
169.05397	0.4
171.03317	7.9
173.04877	1.7
175.02759	0.5
177.02167	0.4
177.07713	0.5
179.03825	0.8
181.01767	0.5
181.05333	2.8
181.12236	0.4
183.03294	1.2
184.07352	0.8
185.01320	0.4
185.04869	7.4
187.02808	0.8
187.06215	0.6
189.04295	1.5
191.05908	0.6
193.05354	0.8
195.06891	0.7
197.04868	1.8
199.06422	5.6
201.04466	0.5
203.03993	0.7
203.05898	5.3
207.06940	1.8
207.10500	0.4
208.06461	0.5
209.04868	0.4
209.08542	0.6
211.02922	0.6
211.06451	2.2
213.07991	1.0
215.05885	1.2
215.07619	0.5
215.42644	0.4
217.05527	0.8
217.07402	3.4
219.10568	1.0
221.04776	0.8
221.08533	1.1
225.07997	3.3
227.09573	0.8
229.07486	1.9
231.09187	0.4
233.08498	2.1
235.06400	0.6
235.10037	2.2
235.83636	0.4
237.07964	1.9
239.05983	0.6
239.09448	0.9
241.07538	0.4
243.09038	6.0
245.08524	1.9
247.08543	0.5
248.09656	0.4
249.08093	0.5
251.09595	5.7
253.11105	2.1
255.09004	0.8
257.10611	0.6
261.10202	1.9
263.09525	15.0
265.11197	1.5
269.10626	2.7
273.13681	0.4
281.10617	77.6
282.10913	0.5
283.12140	3.0
284.11758	0.5
286.11169	0.4
299.11676	28.7
302.17474	1.8
303.17905	2.0
304.12231	9.5
322.13242	1.7
346.20190	0.7
347.20258	0.5
349.17056	0.6
349.23431	0.4
363.18365	1.7
381.19504	1.1
419.91653	0.4
449.22073	0.4
587.32983	0.7
605.33636	100.0
606.33673	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81680	0.8
53.03934	2.0
55.01873	5.9
55.05265	1.0
55.05509	9.2
57.03431	1.8
57.07067	2.0
60.78618	0.8
65.03934	0.9
67.05177	1.5
67.05507	21.6
67.32696	0.8
69.03423	1.5
69.06731	1.6
69.07069	25.0
69.18902	9.8
71.04985	2.1
79.05062	1.5
79.05492	20.5
80.79580	0.8
81.03420	15.2
81.06585	1.4
81.07056	23.6
83.04984	11.5
83.08611	3.3
85.02889	1.0
85.06530	2.0
91.05473	18.0
93.07047	23.1
93.93669	1.0
95.04971	7.3
95.08604	18.0
97.06551	8.3
97.10154	4.1
99.04440	2.7
99.08044	0.9
105.06385	1.3
105.07022	12.9
107.04952	42.9
107.08592	15.8
109.06500	3.4
109.10154	7.5
111.04435	7.9
111.08067	1.8
117.07008	6.4
117.07748	0.9
119.08579	11.1
121.06504	3.8
121.10145	15.0
121.13731	0.9
123.08057	4.7
123.11687	1.8
125.09652	2.9
129.06998	2.8
131.08565	7.8
133.06467	2.8
133.10135	8.9
135.04401	1.0
135.08037	4.1
135.11676	3.9
137.09622	5.1
139.11154	4.9
143.08543	3.7
145.10094	6.7
147.08041	3.8
147.11664	3.8
149.09622	26.2
149.13243	3.1
151.07507	1.9
151.11156	1.6
153.09105	3.1
157.10088	3.7
159.11684	5.7
161.09619	5.5
163.11163	2.8
165.09131	1.1
167.10605	1.8
167.14279	1.7
169.10123	1.8
171.11687	2.0
173.13226	1.6
175.11223	4.8
177.12717	2.3
179.10663	3.1
183.11624	1.3
185.09724	0.9
185.13263	1.8
187.11166	1.1
187.14836	1.0
189.12718	1.4
193.12262	2.8
195.13828	5.4
203.10841	1.7
203.12743	3.5
205.12405	1.1
221.11681	2.4
223.54709	1.0
235.13251	2.8
243.21074	1.3
245.19070	2.9
255.17386	2.6
261.22174	3.0
263.20081	2.7
273.18506	12.3
275.20078	3.3
275.39682	1.0
277.21674	4.1
291.19528	100.0
293.21027	1.6
295.22586	1.5
296.41220	0.9
302.17426	1.3
309.20566	4.4
545.25635	2.4
551.41052	1.1
569.42157	1.7
604.34448	1.2
604.44238	2.1
605.27173	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	604.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	27.9
67.05511	29.6
69.07052	19.0
70.81538	4.1
71.56351	5.0
79.05495	30.2
81.07065	29.2
83.04984	10.2
83.08615	23.0
91.05498	30.4
93.07039	39.1
95.04974	21.9
95.08609	24.0
97.06507	8.0
97.10168	4.8
105.07032	40.2
106.01511	4.5
107.04935	6.5
107.08590	25.7
109.10143	17.0
117.07050	7.3
119.08594	30.6
121.06500	4.6
121.10153	16.4
123.11720	5.6
125.09650	7.2
129.06987	7.3
131.08569	17.0
133.10100	24.7
135.08098	7.4
135.11740	8.7
143.08438	5.2
145.10121	23.1
145.67538	4.2
147.11665	12.4
149.09634	16.2
157.10114	7.9
159.11737	10.7
163.11140	23.1
169.10162	4.9
171.11794	6.3
173.13176	7.9
177.12697	8.1
183.11565	7.7
187.14856	4.9
197.13301	4.8
223.13138	9.5
239.18045	12.6
257.18933	12.1
275.20053	100.0
277.21552	14.5
293.21149	31.5
304.04718	4.8
441.33508	7.9
492.31607	5.4
499.04880	6.1
569.42877	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	604.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
55.01839	2.0
55.02079	0.5
55.05508	3.1
56.05008	0.6
56.96536	0.6
57.03406	1.3
58.06569	0.6
60.08142	0.7
61.02876	0.6
63.11552	0.5
67.05503	5.8
67.79779	0.5
69.03384	1.3
69.07066	5.0
71.04960	0.8
71.57101	0.5
77.77413	0.4
79.05495	5.9
81.03440	2.1
81.07065	4.6
81.75671	0.4
82.07362	0.7
83.04979	1.0
83.08575	1.5
84.04442	0.5
84.08938	0.7
85.02878	0.8
85.06517	0.6
86.09668	2.1
91.05474	4.4
92.05778	0.9
93.07044	4.4
95.04935	1.8
95.08604	3.1
96.08911	0.5
97.02850	0.7
97.06535	16.6
97.10126	1.7
104.10738	2.6
105.07012	4.1
106.07339	0.7
107.04919	1.5
107.08596	3.6
108.08869	0.5
109.06493	0.7
109.10128	1.3
117.06979	2.0
118.06522	0.6
119.04932	0.5
119.08588	2.9
120.08908	0.7
121.06489	1.0
121.10122	1.8
123.08033	0.5
124.98204	0.4
124.99963	1.2
125.09602	1.2
129.06984	1.2
130.06483	0.5
131.04921	0.7
131.08556	3.3
132.08855	0.6
133.10143	2.2
134.06032	0.8
134.10492	0.7
135.08080	0.5
135.11664	0.7
137.05963	1.6
143.08517	1.9
145.06461	1.8
145.10112	1.5
146.05972	1.3
146.10461	0.5
147.06818	11.0
147.08011	1.4
147.11652	1.5
148.05156	0.5
148.07536	1.4
148.11136	0.8
149.05946	1.2
149.09573	1.3
155.08575	0.6
157.10075	1.7
159.08043	2.7
159.11707	0.8
160.11169	0.9
161.05969	1.4
161.09563	0.9
162.05507	0.6
163.06305	0.7
163.07524	1.9
163.11134	1.3
164.07030	1.0
165.09122	1.1
167.54626	0.5
169.10039	0.7
171.08038	1.7
171.11647	0.6
172.11151	0.6
173.05992	0.7
173.09601	1.5
173.13156	0.5
174.09132	0.9
175.07506	2.1
175.11157	1.0
176.07098	6.7
176.10690	13.9
177.07803	5.1
177.09135	1.2
177.11357	1.8
177.12735	0.5
184.07310	4.7
185.09596	1.4
185.13150	0.9
186.09100	0.7
187.07497	1.8
187.11238	0.8
188.10710	1.3
189.09120	1.7
189.11320	0.9
190.08580	1.2
191.10651	1.5
192.11531	2.6
193.12225	1.1
199.07590	1.0
199.11281	0.5
201.09178	1.0
201.11247	0.5
202.12212	3.7
203.10718	0.8
204.10197	11.0
205.10986	7.2
206.11755	3.2
213.12648	0.8
214.08508	0.7
214.12033	0.8
215.10672	1.6
216.10257	1.2
216.13795	5.5
220.13316	0.7
227.10663	0.6
229.10985	1.7
230.11743	0.9
230.15404	1.9
240.18364	0.5
244.13306	1.5
256.17038	0.7
258.14880	4.0
260.12817	1.3
260.16479	1.1
271.13245	1.0
273.13571	14.2
274.15552	0.8
275.19925	3.1
276.20349	2.5
285.14890	0.7
288.16168	2.2
289.13049	1.4
289.21729	0.6
294.21524	0.7
300.16336	0.7
302.17499	100.0
303.17801	1.1
316.19131	1.3
317.19714	2.5
318.16977	5.1
331.15738	0.7
344.18661	1.6
346.20123	28.4
350.16919	0.6
362.19565	1.4
386.23203	1.4
398.23169	0.5
401.21906	0.8
412.24927	2.2
430.25925	15.7
431.18933	1.3
432.19327	1.9
474.28467	4.9
545.28644	0.6
560.32111	7.8
568.40704	0.5
586.33807	0.8
601.73773	0.7
604.34796	70.1
605.35242	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
55.01861	2.9
55.05507	37.3
57.03433	2.0
57.07068	9.9
57.29302	1.8
59.04998	1.7
67.05503	52.1
69.03418	4.0
69.06685	1.7
69.07066	29.5
71.04985	2.5
71.08291	1.8
71.08634	23.7
71.56837	2.0
79.05065	2.8
79.05489	33.1
81.06588	3.4
81.07056	65.1
82.07387	2.4
83.04964	5.6
83.08615	20.8
84.50151	1.8
85.06526	3.1
85.10181	1.8
91.05479	30.1
93.07043	50.1
94.07356	3.2
95.04940	5.5
95.08607	44.7
97.06512	6.7
97.10165	27.1
99.08086	16.7
104.99825	1.5
105.06322	1.9
105.07027	40.0
106.07370	3.8
107.08594	40.7
108.08910	3.3
109.06483	5.9
109.09464	2.1
109.10151	24.1
111.08054	5.1
117.07027	11.0
119.08582	44.6
120.08916	2.9
121.10142	23.8
122.10452	5.3
123.08112	8.2
123.10897	1.8
123.11684	7.8
125.09628	25.3
125.58286	1.7
129.07004	3.9
131.08569	24.1
132.08890	2.3
133.10135	20.9
134.10378	2.1
135.08049	6.2
135.11691	13.9
137.09604	4.6
137.13232	4.0
139.11110	2.8
141.07025	2.4
142.07796	2.7
143.08549	12.5
145.10114	28.9
146.10423	4.0
147.07990	2.0
147.11676	15.0
149.09584	2.4
149.13239	6.9
151.11143	2.8
153.09137	4.4
155.08531	6.0
155.10715	2.5
156.09267	2.4
157.10133	15.4
158.10553	2.4
159.08015	3.3
159.11749	15.2
160.08356	2.0
161.09563	2.2
161.13298	11.3
163.11177	2.0
163.14810	5.8
167.08553	2.1
167.10692	5.7
169.10089	5.2
171.11722	10.1
171.12933	1.8
172.12083	2.4
173.11871	3.1
173.13260	9.7
175.11131	2.2
175.14842	11.9
177.12791	2.2
177.16408	2.5
181.10042	3.6
183.11661	5.5
185.13239	6.2
187.13245	4.8
187.14845	5.7
189.16389	5.4
195.11630	3.5
197.13251	5.8
199.14745	6.3
201.16400	6.1
203.12729	14.1
203.14363	2.2
203.17871	3.0
209.13191	2.1
211.14810	4.9
213.16389	4.9
215.17908	3.4
217.19550	2.4
219.21030	1.9
223.14810	1.9
225.16335	1.9
227.17989	4.0
231.21048	5.4
233.15320	3.2
235.14746	1.8
241.19402	2.5
255.21021	3.3
259.20483	2.0
267.21027	3.6
285.22064	3.5
287.23581	2.1
293.25027	2.0
305.24783	2.3
309.21985	1.8
313.25137	3.2
319.26367	3.6
325.25128	2.3
331.26355	2.8
333.27924	3.6
337.24942	2.0
343.26276	2.2
345.27670	2.1
347.29459	2.5
355.25931	2.0
369.27454	2.3
371.32996	7.0
403.35764	32.4
407.33081	25.7
425.34164	29.1
439.35553	5.6
451.35294	1.7
457.36758	12.7
477.39438	3.1
489.39398	100.0
503.41296	3.5
521.43481	6.4
539.44879	2.5
553.46008	11.4
571.47113	13.7
585.40479	3.4
585.48840	31.1
603.50098	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	603.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30031	1.7
53.03941	4.3
53.54307	1.6
55.01873	6.5
55.05273	2.7
55.05513	28.0
57.07063	3.4
65.03921	3.4
67.05507	53.7
69.03423	3.8
69.07073	14.3
70.27180	6.3
71.08638	30.1
76.73267	1.7
79.05495	46.4
81.03440	2.4
81.07063	52.2
83.04981	7.5
83.08624	13.9
85.06544	2.2
91.04903	1.9
91.05479	33.0
92.29130	1.6
93.06486	3.5
93.07053	56.5
95.04964	7.3
95.08615	44.5
95.09234	2.0
97.02856	2.0
97.06539	11.9
97.10176	16.0
99.08096	28.6
105.07030	23.2
107.04943	5.0
107.08601	36.3
109.06535	5.1
109.10180	15.2
111.08093	5.0
113.09608	3.8
117.07012	7.0
119.08575	13.6
121.10148	24.8
123.08056	2.1
123.11697	3.2
125.09652	15.6
129.06970	2.2
131.08537	8.2
133.10135	15.6
135.08063	3.6
135.11691	30.6
137.09644	4.6
139.11227	3.1
141.09117	3.5
141.83427	2.0
143.08553	2.1
145.10149	7.0
147.07991	2.0
147.11694	7.5
149.09549	1.9
149.13264	11.2
151.11185	12.6
153.09167	2.4
157.10175	2.9
159.11711	5.1
161.09628	2.3
161.13223	9.6
163.11188	4.6
163.14877	2.7
165.12738	2.1
167.10611	2.2
171.11728	4.9
173.13266	2.7
175.11276	3.0
175.14853	3.9
177.12746	3.2
179.14323	84.8
181.12274	2.8
185.13211	2.7
189.12686	2.7
195.13881	1.9
203.12791	17.2
207.13884	2.2
221.15498	3.7
231.21107	2.3
235.16940	3.9
241.19421	5.1
249.22127	3.9
259.20609	10.0
277.21646	100.0
291.23056	9.5
295.22925	2.0
309.24164	14.0
487.37689	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.9
55.01870	17.9
55.05267	3.7
55.05513	54.0
56.96545	3.4
57.03422	10.2
65.03944	4.6
67.05182	4.4
67.05505	62.8
69.03428	5.5
69.06726	4.1
69.07067	52.6
69.49911	15.1
71.04982	8.0
79.05492	58.2
81.03410	6.9
81.06594	3.8
81.07058	72.5
83.04967	6.5
83.08618	31.0
85.02882	3.8
85.06540	5.7
87.04403	3.1
91.05480	63.2
93.07044	67.8
95.04959	12.4
95.08603	52.0
97.06530	32.8
97.10188	26.6
99.08076	3.8
103.05471	2.8
105.07030	61.6
107.04952	6.2
107.08595	51.8
109.06506	16.9
109.10154	30.0
111.08068	8.4
115.05443	3.8
117.07011	23.9
119.08580	50.1
121.06513	5.6
121.10147	24.9
123.08051	6.1
123.11667	5.5
125.09652	18.5
128.06215	3.9
129.07028	13.8
130.07800	3.0
131.08565	33.5
133.06491	4.4
133.10129	41.8
135.08035	10.9
135.11655	15.9
137.09607	6.2
139.11218	5.4
141.06941	4.8
142.37355	2.7
143.08560	11.8
145.06477	3.7
145.10129	30.6
147.06795	3.5
147.07930	5.1
147.11696	23.6
149.09599	15.6
149.13248	6.0
151.11183	4.1
155.08546	10.0
157.10135	12.5
159.08081	4.6
159.11685	24.6
161.09694	3.6
161.13245	12.0
163.11168	9.1
165.09023	3.5
169.10143	10.9
171.11739	13.1
173.09691	3.4
173.11752	4.4
173.13237	12.4
175.11163	3.5
175.14824	4.9
176.10738	4.9
177.12785	3.1
179.14246	4.9
181.10083	4.5
183.11751	14.6
183.13310	2.8
185.13232	9.8
187.11090	6.0
187.14771	6.9
187.26471	2.7
189.11197	14.1
193.12183	5.0
195.11714	5.4
197.13269	6.1
199.14755	4.3
203.14276	3.5
211.14845	6.1
223.14955	3.3
229.19357	3.5
235.16882	4.2
239.17984	4.4
257.19031	11.9
265.62497	3.1
273.13528	3.7
273.18542	4.4
275.20059	100.0
277.21619	11.3
289.21774	4.3
291.19482	13.8
293.21094	20.6
301.21600	5.1
302.17456	26.8
306.11911	2.8
331.15823	3.2
331.22598	3.3
333.20230	2.7
346.20102	8.7
349.16788	10.7
367.17700	4.6
397.31339	3.0
399.28922	5.6
413.30322	3.9
430.25742	3.2
431.18896	22.1
437.30179	3.9
455.31781	6.2
473.32376	6.3
487.34433	3.7
531.38147	5.7
549.39166	9.9
567.40387	14.8
585.41455	15.2
603.43243	6.3
604.34686	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	603.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01860	8.0
55.05511	26.9
57.03421	3.8
65.03914	3.1
67.05503	56.2
69.03398	3.4
69.07067	20.0
69.78344	2.1
69.78689	11.5
71.04994	3.8
79.05492	48.6
81.03416	5.5
81.06590	4.3
81.07055	70.2
83.04965	6.4
83.08611	12.8
85.06526	3.6
91.05482	52.0
93.06475	3.6
93.07042	54.9
95.04948	7.1
95.08603	38.3
97.06565	9.3
97.10160	10.5
98.27627	2.0
98.73475	2.2
99.08072	3.5
103.05473	2.5
105.07028	49.0
107.04937	6.1
107.08589	28.0
109.06487	8.3
109.10136	18.3
111.08051	3.1
117.07019	13.8
119.08578	52.4
120.03099	2.0
121.06449	3.7
121.10122	18.5
123.08041	7.1
123.11700	6.1
125.09606	7.6
129.06967	8.5
131.08578	22.0
133.06442	3.1
133.10123	44.9
135.08012	6.4
135.11703	15.0
137.09607	6.4
137.13182	1.9
139.11111	2.4
141.06921	2.5
143.08537	5.3
145.10132	23.6
147.07974	2.1
147.11685	22.3
149.09555	9.0
149.13255	8.3
151.11162	7.2
155.08502	3.2
157.10098	9.1
157.67738	2.0
159.08122	1.8
159.11714	17.0
161.09637	1.8
161.13228	7.3
163.11186	5.2
165.12669	2.3
169.10109	5.6
171.11671	7.7
173.13274	7.4
175.11246	3.8
177.12720	4.1
183.11687	5.8
185.13216	5.3
187.11229	2.2
189.11244	4.2
195.13812	9.9
197.13232	3.7
199.14862	3.6
201.12759	4.0
211.14977	2.4
213.16454	2.7
229.19409	3.5
229.41032	1.9
233.15439	2.3
235.16879	5.4
239.17926	4.5
245.18864	2.0
247.20554	4.6
257.18964	8.7
263.20038	4.3
265.21750	2.3
269.10751	2.5
273.18491	2.5
275.20059	100.0
277.21622	6.0
291.19455	3.5
293.21124	15.4
309.68945	2.4
310.24902	2.0
353.24451	3.5
355.26538	2.2
367.17844	3.4
371.26120	2.2
385.69739	2.3
399.20145	2.5
469.33234	3.0
487.34067	2.1
505.35239	2.2
539.40985	2.8
549.38977	3.1
567.40100	4.6
585.41443	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	603.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.4
55.01875	15.6
55.05513	56.6
57.03460	3.6
59.04987	2.9
65.03948	4.3
66.76978	1.6
67.05506	79.1
69.03410	5.2
69.07070	47.0
69.65177	10.2
71.04984	5.4
79.05495	63.8
81.03406	7.2
81.07059	71.4
83.04990	8.8
83.08624	31.9
85.06540	3.4
91.05486	60.0
93.06483	3.3
93.07045	54.9
95.04974	13.9
95.08607	56.6
96.48498	1.5
97.06538	15.6
97.10172	38.4
98.21545	3.0
99.08092	4.0
103.05488	1.7
105.07034	58.1
107.04937	7.5
107.08594	53.3
109.06533	8.4
109.10160	30.1
111.08073	5.8
115.05444	3.4
117.07014	21.8
117.07778	2.8
119.08587	47.6
121.06516	5.4
121.10146	25.8
123.08061	9.5
123.11702	7.3
125.09641	26.8
127.07541	2.2
128.06209	4.4
129.07019	13.1
131.08562	30.3
133.06525	3.6
133.10132	40.7
135.08067	8.4
135.11719	11.8
137.09596	7.8
139.07477	1.9
139.11163	3.5
141.06956	5.7
142.07787	3.6
143.08549	14.2
143.10675	2.5
145.06505	3.4
145.09013	3.2
145.10118	29.5
147.08070	3.5
147.11684	20.7
149.09641	15.1
149.13235	6.8
151.11168	4.9
153.09116	5.3
155.08546	8.9
155.10808	1.8
157.06496	2.8
157.10107	15.6
159.08044	2.9
159.11705	21.1
161.09637	4.5
161.13228	10.4
163.11195	5.8
163.14923	1.8
165.09126	2.6
167.08595	2.7
168.21893	1.8
169.10112	11.1
171.10236	3.2
171.11624	12.0
173.09627	3.5
173.11768	4.2
173.13251	14.0
175.11147	6.5
175.14778	2.8
177.12727	6.0
181.10089	3.2
181.12178	2.4
183.11705	9.4
185.13223	9.1
187.11234	2.5
187.14816	5.4
189.11232	17.7
189.12738	3.6
189.16536	2.4
195.11613	4.4
195.13693	2.7
197.13284	5.9
199.11205	1.9
199.14838	5.2
201.12735	3.8
201.16269	2.3
209.13414	2.4
209.15265	2.6
211.13258	4.6
211.14931	3.5
213.16376	4.2
215.14325	1.9
215.17958	2.3
217.16077	2.1
223.13177	3.6
225.12740	1.8
225.16354	1.8
227.17981	3.5
229.15831	2.4
229.19510	2.4
233.15337	2.2
233.19278	2.0
239.14275	1.6
239.17926	8.0
241.15736	2.0
241.19247	1.8
247.20628	2.4
257.18994	9.1
263.20120	2.6
265.21747	2.3
271.20566	2.7
273.18613	3.3
275.20065	100.0
277.21600	5.6
283.20511	2.2
285.19040	1.8
285.22055	2.7
287.20114	2.3
289.21597	4.6
291.19547	17.3
293.21143	15.0
295.20667	1.9
300.61609	2.0
301.21530	5.9
302.17426	2.6
303.23196	4.8
313.21606	2.5
315.23248	2.5
319.22681	4.7
325.21613	2.4
327.23279	2.7
345.24387	2.0
349.16855	3.0
365.24033	1.8
381.27792	8.1
383.29453	2.6
395.29431	4.0
397.31012	2.6
399.29037	13.0
413.30325	3.6
419.28903	1.9
427.66037	1.9
431.18900	9.1
437.30292	1.9
453.33679	2.3
455.31384	5.7
457.32892	3.9
469.33469	3.7
471.34427	2.5
473.32437	9.6
487.34082	6.6
513.37457	2.2
531.37750	2.8
537.47931	1.8
549.39349	8.5
567.40332	20.2
585.41608	19.7
603.43066	7.7
604.33093	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	603.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22395	1.4
51.18105	1.5
53.03949	3.9
55.01870	2.9
55.05515	18.4
57.03425	3.5
65.03934	3.1
67.05508	35.4
68.08875	1.3
69.03423	3.6
69.07072	21.1
69.22864	3.2
69.23274	11.9
71.04987	3.6
79.05493	33.8
81.03425	3.2
81.07055	50.1
83.04978	4.9
83.08630	12.5
85.06540	2.0
91.04913	1.6
91.05481	36.3
93.07045	33.8
95.04967	6.9
95.08607	31.4
97.06530	9.3
97.10174	8.2
105.07033	38.2
105.07692	3.2
107.04958	5.0
107.08586	29.3
109.06506	6.0
109.10150	16.1
111.08060	3.7
117.07018	12.9
119.08585	34.3
119.09367	3.0
121.06517	2.3
121.10130	16.5
123.08095	3.7
123.11740	3.5
125.09654	6.7
128.06218	2.2
129.07004	6.3
131.08554	19.7
132.00104	1.5
133.10138	30.6
135.08047	4.4
135.11685	6.8
137.09570	3.8
141.06984	2.2
143.08563	6.8
145.10147	16.3
147.08034	1.7
147.11687	14.4
149.09613	8.5
149.13271	7.1
151.11221	1.8
155.08542	2.4
157.10155	6.7
157.62465	1.4
159.08212	1.6
159.11707	12.8
161.13289	4.3
163.11215	6.6
163.14862	2.3
163.63252	1.6
165.12810	2.1
169.10110	5.9
171.11723	4.7
173.11916	2.0
173.13200	7.2
175.11177	1.7
175.14551	1.6
177.12700	4.1
179.14331	2.8
181.12302	2.0
183.11694	5.1
185.13222	2.6
187.14769	1.8
189.11209	4.4
189.12775	1.5
191.14349	1.8
195.13814	5.7
197.13269	3.7
199.14771	1.8
213.16455	1.7
216.43875	1.5
229.19533	3.1
235.16940	4.8
239.17926	3.5
247.16960	1.7
247.20499	2.4
251.19836	1.6
257.19031	10.0
257.42682	1.6
275.20056	100.0
277.21640	3.5
291.19565	3.8
293.21124	17.2
399.20477	2.0
399.29095	2.3
431.18866	30.0
469.32947	1.6
473.32431	2.3
487.33966	2.9
549.39203	2.9
567.39978	2.3
585.41650	2.8
628.93024	1.5
629.63599	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01881	4.1
55.05509	17.1
55.58706	1.8
57.07073	5.4
67.05508	22.0
69.03424	4.7
69.07064	13.3
69.20515	8.8
69.20946	11.4
71.05005	2.1
78.12192	1.7
79.05492	21.0
81.03394	4.8
81.07059	25.0
82.07354	4.1
83.04958	7.1
83.08623	16.5
85.06550	2.2
87.20156	1.8
91.05478	25.4
93.07043	32.0
94.07368	4.7
95.04970	18.3
95.08617	22.3
97.06512	7.1
97.10168	3.4
105.07036	28.2
106.07339	4.0
107.04931	10.0
107.08609	19.5
108.08917	2.3
109.06505	8.5
109.10157	9.3
110.38098	2.3
111.08032	4.7
111.38513	2.1
117.07004	8.5
119.08585	28.1
120.08868	3.4
121.06515	7.7
121.10126	17.7
123.08081	10.4
123.11691	3.5
125.09628	4.3
129.06998	4.0
131.08549	14.9
133.06522	3.0
133.10130	19.1
135.08041	7.7
135.11674	9.6
137.09595	5.7
138.09973	3.1
142.07790	2.5
143.08534	8.5
145.10123	22.8
147.08057	7.1
147.11681	8.6
149.09625	14.8
149.13222	2.9
151.07536	5.8
151.11160	4.5
155.08545	5.5
157.10149	10.2
158.10501	3.6
159.11717	12.0
160.11989	2.5
161.09599	4.2
161.13281	4.5
163.11176	17.1
165.09138	15.4
165.12733	4.3
166.09479	9.9
169.10168	6.3
171.11658	5.1
173.09662	3.2
173.13234	8.4
175.11235	4.4
175.14912	3.2
181.12158	3.4
183.11665	3.5
184.12024	2.9
185.13193	3.7
187.11293	2.4
191.14310	2.2
197.13080	2.2
198.13605	2.3
201.12769	4.0
203.14397	4.8
204.14603	3.0
207.13747	2.9
209.13330	2.2
210.13853	2.3
219.13853	2.2
221.15359	42.6
222.15717	22.8
223.13167	11.2
239.17923	5.8
247.20499	2.4
257.19037	9.3
275.20071	100.0
293.21121	84.6
394.27502	2.2
492.35605	4.0
521.35699	4.6
522.35809	7.1
584.41364	6.7
602.42957	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	601.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.2
53.03932	7.1
55.01873	6.1
55.05507	25.1
57.07069	9.8
59.04985	4.8
63.76623	2.4
65.03940	4.3
67.05177	2.5
67.05510	37.1
69.03429	11.9
69.07075	24.0
69.11336	2.2
70.72599	6.0
71.04984	3.5
75.87131	2.1
79.05074	3.0
79.05498	44.4
79.15766	2.5
81.03412	4.5
81.07060	56.9
83.04993	22.6
83.08624	17.6
85.06532	8.6
89.06006	3.6
91.05482	61.0
92.05811	3.4
93.07044	83.5
95.04981	28.2
95.08607	44.2
97.06528	15.5
97.10150	7.1
102.88514	2.2
103.05481	6.3
105.07030	100.0
106.07365	5.9
107.04957	6.5
107.08603	75.8
108.08917	5.1
109.06538	15.4
109.10156	31.8
111.08063	6.8
115.05445	7.6
116.06226	3.6
117.07030	26.7
119.04964	2.3
119.08581	93.5
120.08893	5.1
121.06509	13.5
121.10145	75.0
122.10478	4.1
123.08084	18.8
123.11696	10.7
125.09641	18.6
128.06213	14.0
129.07024	19.6
130.07796	5.4
131.08577	46.8
132.08873	3.9
133.06496	6.1
133.10127	59.5
134.10449	2.5
135.08023	19.3
135.11670	26.5
137.09602	12.6
139.11188	6.4
141.06998	8.4
142.07805	19.6
143.08583	50.7
144.09354	12.8
145.06494	2.7
145.10121	79.5
146.10506	3.0
147.08052	15.0
147.11699	25.9
149.09625	20.2
149.13255	6.1
151.07478	5.6
151.11171	3.9
153.06970	7.3
154.07716	5.0
155.08519	19.3
155.10667	5.8
156.09383	17.8
157.10130	56.7
158.10765	9.4
159.08063	16.8
159.11694	41.2
160.08603	3.4
160.12083	2.8
161.09630	17.7
161.13232	9.0
162.76134	2.1
163.11217	12.1
165.07008	7.2
165.09103	12.3
165.12888	2.7
166.13028	2.6
167.08620	11.1
167.10675	57.5
167.12059	2.9
168.09238	3.2
169.10130	26.8
170.10825	9.7
171.11688	35.2
172.12202	7.2
173.09634	9.7
173.13289	25.8
175.11177	13.2
175.14813	13.1
177.12691	3.4
179.08530	9.9
180.09221	7.6
181.10143	17.8
181.12212	7.6
182.10928	11.5
183.11723	22.0
184.12300	6.7
185.09679	3.4
185.13283	16.5
186.14034	3.7
187.11137	5.9
187.14803	10.7
189.11305	2.5
189.12761	9.3
189.16388	2.5
191.08696	2.3
191.10617	3.0
191.14206	7.4
192.09315	4.2
193.10220	11.1
193.11838	3.3
194.10805	9.3
195.11696	20.5
196.12294	9.5
197.09544	2.5
197.13263	20.9
198.10347	2.4
198.13658	5.0
199.11179	5.8
199.14821	14.4
201.12727	5.4
201.16432	6.0
203.14336	7.6
204.14601	2.7
206.10909	7.9
207.11707	16.0
207.13623	4.5
208.12306	9.1
209.13318	23.9
209.15193	4.4
210.13934	5.0
211.11188	3.4
211.14784	14.0
212.15396	4.0
213.12801	3.3
213.16324	7.1
214.13283	2.5
215.14313	7.8
215.17908	3.0
217.15924	2.9
218.10603	3.7
219.11644	3.8
219.17540	2.8
220.12375	3.0
221.13199	14.5
221.15363	26.4
222.13826	3.9
223.14850	14.4
225.12686	5.9
225.16373	10.5
227.14392	3.3
229.09937	2.7
231.11609	2.7
233.13240	5.1
233.15320	29.2
234.13835	4.4
235.14749	6.7
235.16811	3.6
236.15311	4.0
237.16356	8.7
238.16805	4.1
239.17949	4.5
241.15828	2.9
245.13191	4.5
246.13904	3.1
247.14743	6.4
249.16367	5.2
251.17885	4.1
253.15656	3.3
255.17484	9.0
256.17749	5.6
257.19061	3.8
258.13925	2.7
259.14664	3.8
260.15704	2.8
261.16162	4.3
263.17975	6.3
265.19470	6.5
267.17453	3.2
269.18945	8.1
273.18491	9.9
275.17554	4.2
275.20117	10.6
281.19012	5.7
282.19278	2.9
283.20532	5.6
285.18622	5.0
289.19467	5.8
291.19498	20.5
293.21332	3.0
295.20499	6.8
299.20175	3.5
311.20349	2.7
331.24030	3.8
333.25482	2.9
343.24167	2.8
349.25092	2.8
365.24612	3.2
367.26108	4.9
375.26511	3.4
384.26035	2.7
491.33932	3.1
565.39679	5.6
583.41638	11.5
601.42169	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.7
55.01863	3.9
55.05513	24.9
57.07066	11.6
59.04981	4.6
62.89318	2.5
65.03911	4.4
67.05506	44.3
69.03419	11.5
69.07066	26.2
70.06887	11.6
71.04990	3.8
79.05493	42.5
80.05833	3.6
81.03407	8.3
81.07055	49.4
83.04987	25.3
83.08631	19.0
83.09031	3.9
85.06534	6.4
87.04482	3.9
88.65655	3.1
89.06020	10.0
91.05480	70.0
92.05778	4.6
93.07046	84.6
94.07353	6.3
95.04968	29.9
95.08611	50.9
96.08923	3.3
97.06522	13.8
97.38060	2.7
105.07036	100.0
106.07314	4.0
107.04951	6.6
107.08591	80.9
108.08931	5.4
109.06521	17.5
109.10146	40.4
110.10493	4.0
111.08060	4.9
113.09692	3.8
115.05461	7.8
117.07040	23.6
119.08583	97.0
120.08926	7.4
121.06511	10.6
121.10156	71.8
122.10539	2.6
123.08059	22.1
123.11687	9.4
124.08362	3.6
125.09632	16.9
128.06206	12.4
129.07037	14.8
130.07790	10.0
131.08568	35.3
132.09335	4.7
133.06532	4.8
133.08603	5.8
133.10130	64.1
134.07295	3.1
135.08076	17.0
135.11722	21.9
137.09589	10.6
139.11180	6.1
141.06998	12.3
142.07802	21.5
143.08588	39.5
144.09308	7.5
145.10127	66.1
146.10507	5.6
147.08037	12.1
147.11705	22.3
148.12050	3.5
149.09644	20.5
149.13261	4.3
151.07527	11.5
151.11159	4.4
153.06989	3.7
154.07739	4.1
155.08554	16.8
155.10704	3.6
156.09348	19.7
157.10133	57.6
158.07269	3.3
158.10725	10.9
159.08054	18.0
159.11676	33.7
160.12090	5.6
161.09650	14.2
161.13275	11.6
163.11189	15.5
165.07027	5.8
165.09125	11.2
167.08504	8.9
167.10686	59.2
168.09286	6.6
169.10130	28.7
170.10875	7.1
170.12416	3.5
171.11690	33.0
172.12183	4.4
173.09666	7.8
173.13251	26.2
174.13617	4.0
175.11122	14.9
175.14780	16.1
177.12773	4.1
178.07655	2.8
179.08562	11.6
179.14247	3.4
180.09221	4.9
181.10136	18.6
181.12207	5.6
182.10870	14.0
183.11671	30.7
185.09610	4.6
185.13225	17.9
187.11183	6.9
187.14793	13.1
189.12712	7.3
191.14273	7.5
193.10129	16.2
194.10930	8.4
195.11676	23.2
196.12260	8.2
197.13220	25.4
198.13789	4.4
199.11110	5.2
199.14827	12.0
201.12753	5.2
201.16403	5.2
203.14346	8.3
207.11655	15.0
207.13583	4.8
208.12410	8.3
209.09869	3.3
209.13287	24.6
209.15172	4.7
210.13933	8.2
211.11157	4.8
211.14796	15.6
212.15407	4.4
213.12770	5.6
213.16252	3.4
215.14340	6.8
215.17848	3.2
217.15770	4.0
219.11789	5.2
221.13214	11.2
221.15385	22.3
222.13789	4.8
222.15797	6.3
223.11073	3.3
223.14856	18.7
225.12849	4.8
225.16344	9.4
227.14273	7.9
231.11702	4.5
233.13290	5.0
233.15344	30.1
234.15881	7.1
235.14777	8.9
235.16953	5.3
237.12857	3.3
237.16351	12.2
238.13449	4.9
238.16856	3.6
239.14426	4.7
239.17970	4.3
241.15851	5.9
245.13300	3.5
247.14812	6.5
247.17085	4.9
248.15378	4.6
249.16379	8.9
251.17982	7.0
255.17509	5.1
256.17944	5.1
259.14703	3.5
261.16315	7.2
262.17239	3.0
265.19339	5.7
266.20117	3.4
269.18893	7.0
273.18585	4.0
275.17722	4.5
277.00031	3.1
277.19540	3.8
281.19049	5.6
285.18607	3.5
289.19464	3.5
295.20355	5.3
301.21799	5.3
347.23291	3.6
349.24985	4.0
379.26114	4.1
446.31256	3.4
565.40076	5.7
583.41174	15.2
601.42401	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	601.425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.2
53.03949	7.3
55.01879	2.6
55.05515	22.4
57.07071	10.6
59.05011	3.7
65.03941	6.5
67.05505	39.2
68.41963	2.0
69.03429	12.4
69.07074	26.5
69.95886	5.3
69.96257	10.3
71.04999	3.7
71.08672	2.3
79.05489	34.5
81.03420	5.0
81.07055	48.2
82.07393	2.9
83.04980	19.4
83.08626	13.7
85.06529	6.4
87.04468	5.8
89.06024	5.4
91.05482	57.4
92.05814	2.6
93.07045	87.3
94.07393	3.3
95.04970	22.8
95.08607	43.0
96.08942	2.8
97.06542	19.5
97.10183	3.1
98.20797	3.3
103.05467	6.7
105.04535	3.0
105.07035	100.0
106.07323	5.2
107.04950	8.9
107.08593	75.9
108.08897	2.8
109.06541	16.2
109.10171	28.2
111.08083	5.9
113.09644	4.2
115.05472	8.0
116.06255	4.2
117.07028	27.3
119.08585	95.3
120.08933	2.6
121.06505	11.5
121.10140	81.1
122.10428	2.9
123.08054	16.7
123.11703	9.7
125.09631	19.1
128.06215	13.4
129.06978	23.3
130.07751	6.7
131.08577	44.8
133.06439	4.1
133.07576	2.5
133.08612	4.6
133.10132	61.3
135.08058	19.7
135.11699	21.9
137.09601	9.7
139.11220	5.7
141.06982	7.8
142.07777	23.2
143.08571	43.0
144.09248	10.4
145.06477	4.6
145.10124	74.7
146.10443	4.8
147.08058	13.1
147.11693	25.8
149.09627	24.4
149.13239	4.8
151.07567	3.8
151.11189	4.4
153.07022	3.8
155.08572	17.2
155.10643	5.7
156.09354	17.8
157.10138	53.8
158.10735	11.7
159.08038	16.4
159.11703	42.6
160.08789	3.1
161.09610	17.6
161.13281	10.7
163.11160	9.0
165.06992	6.7
165.09119	9.0
166.07793	3.0
167.08524	9.3
167.10680	59.8
168.09291	4.6
168.11137	3.2
169.10107	28.4
170.10783	10.4
171.11691	38.6
172.12201	4.8
173.09613	6.9
173.13255	24.8
174.13632	3.3
175.11215	13.8
175.14824	15.2
179.08594	11.8
180.09283	5.0
180.43910	2.5
181.10083	19.5
181.12212	8.4
182.10898	11.2
183.11722	26.4
184.12332	4.5
185.09624	4.5
185.13272	17.4
186.13895	3.2
187.11218	6.3
187.14832	11.6
189.12735	6.3
191.14314	4.7
192.09300	5.9
193.10124	14.0
194.10825	9.0
195.11702	23.5
196.12369	7.0
197.13295	22.7
198.13762	4.3
199.11180	6.7
199.14839	15.8
201.12709	9.1
201.16385	4.5
203.14369	7.8
206.10814	6.9
207.11725	16.6
208.12390	7.7
209.13303	24.7
209.15176	5.2
210.13855	6.1
211.11050	3.0
211.14816	17.1
213.12726	6.4
213.16354	5.5
215.14255	5.6
216.14877	2.6
217.15916	5.4
219.11693	4.0
220.12453	5.5
221.13229	11.4
221.15369	27.9
222.13792	4.5
222.15848	4.7
223.14784	16.5
225.12747	4.8
225.16447	8.3
227.14267	6.5
231.11659	5.2
231.17444	3.3
232.12320	3.1
233.13229	7.7
233.15379	25.3
234.13873	4.2
234.15956	4.8
235.14845	12.2
237.12804	3.1
237.16380	8.5
239.18039	5.8
243.11499	2.6
245.13345	6.0
246.13921	4.6
247.14795	7.4
249.16347	5.2
251.17906	8.1
255.17516	8.3
256.17804	3.7
257.13010	3.1
257.19156	4.0
258.13947	3.1
259.14819	5.5
261.16360	6.5
263.17834	6.2
265.19440	4.4
269.18982	6.3
271.20374	3.9
273.16074	4.0
273.18637	5.7
275.17636	6.1
275.20340	3.9
277.19415	3.4
279.21091	3.3
281.18997	4.3
282.19275	3.2
283.20535	4.8
285.18610	4.5
287.20145	5.4
291.19513	11.5
295.20569	4.2
295.51895	2.5
297.21976	3.1
299.20172	4.8
311.20157	3.6
343.24390	3.0
377.24832	3.7
384.26465	3.8
565.39819	5.5
583.41284	12.1
601.26361	7.6
601.42694	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	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.01865	4.5
55.05511	21.1
55.78659	1.4
57.07076	13.4
58.94506	1.3
59.04999	3.9
59.60505	1.5
65.03932	6.2
67.05504	30.1
69.03430	14.9
69.07067	18.0
71.04979	6.3
71.08602	2.2
71.56900	1.4
71.57290	1.5
73.06558	1.5
77.03936	1.9
79.05489	39.6
81.03368	1.6
81.07056	51.1
82.07372	2.2
83.04984	14.6
83.08616	14.1
85.06542	12.0
85.10206	1.6
87.04456	5.3
91.05478	52.9
92.05791	1.6
93.07040	65.8
94.07326	3.4
95.04953	17.0
95.08605	45.9
96.08951	2.0
97.06538	14.3
97.10164	1.5
101.08517	1.7
103.05469	3.9
105.04531	2.5
105.07029	100.0
106.07315	2.5
107.04958	9.5
107.07869	3.6
107.08591	61.6
108.08902	2.8
109.06524	20.6
109.10157	32.1
110.10484	2.6
111.04431	2.7
111.08089	6.5
111.13927	1.6
113.06004	3.9
113.09641	6.4
115.05451	6.4
116.06252	3.8
117.07020	20.8
117.97432	1.4
119.04975	1.9
119.08578	84.8
120.08926	4.9
121.06493	10.0
121.10143	50.9
122.10473	2.6
123.08068	27.2
123.11688	8.2
124.08421	4.1
125.05954	3.8
125.09628	12.1
128.06229	10.2
129.07018	17.1
129.09103	3.2
130.07817	9.5
131.08571	39.2
132.08990	2.0
133.06505	2.4
133.10124	55.4
134.10428	3.8
135.08028	16.9
135.11693	17.9
137.09624	14.8
139.07535	2.0
139.11192	4.1
141.06964	7.0
142.07771	21.8
143.08562	39.1
144.09357	9.3
145.06494	3.1
145.10121	71.1
145.69885	1.4
146.10559	6.3
147.08031	23.7
147.11690	27.7
148.12074	2.3
149.05991	4.1
149.09631	10.1
149.13242	4.8
151.07544	11.5
151.11156	2.7
153.07004	3.7
153.09097	2.1
154.07811	3.4
155.08571	17.6
155.10609	12.7
156.09348	19.0
157.10135	50.8
158.10817	11.2
159.08041	4.8
159.11684	40.0
160.08820	4.4
160.12027	6.7
161.08334	1.6
161.09576	11.7
161.13240	12.0
162.09990	1.9
163.11194	19.6
165.06953	5.5
165.09113	31.9
166.07658	2.0
167.08568	6.5
167.10681	4.0
168.09332	4.5
169.10104	26.5
170.10895	9.9
171.11684	41.2
172.12106	7.2
173.09607	5.4
173.13260	18.2
174.13626	2.9
175.11160	13.5
175.14799	13.7
177.12746	2.6
178.98582	1.6
179.07188	1.7
179.08492	8.2
179.10710	2.2
180.09282	5.9
181.10139	14.7
181.12219	12.9
182.10918	8.4
183.11707	23.5
184.12263	6.7
185.09698	2.9
185.13249	22.4
186.13747	3.1
187.11217	4.3
187.14859	9.4
189.12752	5.5
189.16399	1.8
190.13370	1.7
191.14276	3.5
192.09305	2.2
193.10075	8.9
193.11839	2.3
194.10873	8.5
195.11674	21.8
196.12309	8.1
197.09589	1.6
197.13263	26.6
198.13774	4.8
199.11183	4.3
199.14769	13.3
201.12692	4.8
201.16374	4.3
203.14311	19.0
205.10175	3.4
205.12071	1.8
205.15915	3.7
206.10861	4.4
207.11649	11.8
207.13777	7.3
208.12369	7.1
209.13261	20.3
209.15158	3.1
210.13826	5.2
211.11224	1.7
211.14828	12.5
212.15323	5.1
213.12688	2.8
213.16330	4.9
215.14333	6.9
217.15959	3.1
219.11699	4.8
219.13741	1.9
219.17491	2.2
220.12399	2.0
221.13237	9.6
221.15332	78.2
222.13884	3.9
222.15765	3.3
223.14827	14.5
224.15282	3.3
225.12788	3.0
225.16389	11.0
226.16872	2.5
227.14265	3.5
229.15858	2.2
231.11673	1.9
231.17368	2.2
233.13188	4.6
233.15363	4.0
234.13869	2.5
234.16158	3.1
235.14795	7.4
237.16403	8.8
238.16862	3.1
239.14334	2.9
239.17979	5.6
241.15771	3.2
243.17375	2.0
245.13271	2.7
247.14760	3.6
247.17058	2.6
249.16362	6.7
251.18027	1.8
253.15794	2.3
253.19412	1.9
255.17525	2.6
257.19043	3.2
259.14621	2.8
259.17078	2.1
261.16336	5.3
262.17133	2.2
263.17877	6.2
265.19476	4.3
267.12024	3.8
269.19189	1.9
275.17523	2.5
275.20175	2.7
277.19342	3.1
279.20837	3.2
282.19617	2.4
283.20685	4.7
286.19269	2.0
287.16617	1.6
287.19989	4.6
297.22028	1.8
299.20340	3.2
300.20514	2.8
301.21844	3.5
305.17416	3.6
313.21494	2.9
323.18604	5.5
349.25201	2.6
352.23950	2.5
365.24414	2.0
367.26334	4.9
415.17212	2.1
445.30566	2.0
491.34888	8.8
509.36658	3.0
521.35730	6.0
565.40112	1.7
573.14728	1.7
583.41626	14.1
601.42731	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	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.3
55.01864	2.4
55.05515	25.1
57.03382	1.6
57.07067	7.1
59.04987	4.2
65.03926	6.1
67.05506	31.3
69.03433	16.6
69.07070	25.9
71.01063	4.4
71.04990	3.7
79.05061	2.9
79.05495	37.7
81.07059	42.9
83.04994	22.2
83.08627	16.6
85.06524	4.6
87.04487	2.9
91.05482	61.4
92.05776	2.2
93.07047	87.7
95.04971	23.9
95.08611	40.1
96.08902	1.7
97.06516	11.7
97.10141	1.9
103.05460	7.8
104.75619	1.7
105.04531	3.5
105.07034	99.4
106.07330	2.3
107.04945	2.7
107.08596	79.5
108.08913	3.7
109.06527	19.0
109.10168	34.4
111.08055	5.1
111.11708	3.2
113.09608	4.9
114.32790	1.5
115.05395	9.0
116.06221	3.6
117.07022	23.0
119.08585	100.0
120.08880	3.0
121.06518	10.7
121.10150	83.6
121.11034	4.3
122.10495	3.7
123.08077	14.5
123.11731	9.2
125.06005	2.4
125.09641	16.6
128.06200	15.7
129.07025	19.5
130.07768	6.7
131.08571	45.8
132.09225	2.3
133.06520	2.4
133.10139	56.5
134.10506	1.8
135.08060	18.0
135.11678	17.9
137.09631	11.8
139.11143	5.6
141.06955	8.2
142.07787	22.9
143.08574	40.3
144.09291	8.1
145.06474	3.9
145.10129	70.4
146.07227	3.5
146.10583	2.8
147.08038	10.4
147.11693	23.9
149.09616	20.3
149.13243	4.2
151.07513	5.9
151.11171	3.3
153.06972	5.8
154.07758	3.0
155.08559	19.5
155.10651	6.8
156.09364	17.8
157.10132	57.0
158.10803	7.3
159.08060	17.3
159.11702	37.8
160.08749	2.7
160.12109	3.9
161.09665	13.8
161.13264	9.6
163.11174	8.0
165.06987	7.0
165.09113	7.3
166.07819	2.5
167.08629	9.7
167.10681	75.0
167.12100	3.8
168.09309	6.8
169.10132	28.0
170.10893	8.5
171.07852	2.5
171.11691	37.6
172.12273	4.2
173.09654	9.0
173.13284	26.8
174.10316	2.2
174.13550	1.8
175.11212	12.7
175.14807	15.9
177.12727	2.2
178.07831	3.1
179.08614	11.0
179.09888	2.1
180.09286	6.4
181.10100	18.7
181.12204	4.8
182.10915	11.8
183.11687	28.0
184.12236	3.0
185.09703	3.5
185.13252	24.2
186.10376	2.2
186.13719	3.9
187.11151	7.4
187.14806	13.5
189.12759	4.9
191.14244	5.2
192.09404	3.8
193.10115	12.6
194.10948	9.3
195.11716	23.1
196.12370	6.7
197.09622	3.0
197.13304	24.6
198.13557	2.8
199.11172	5.1
199.14824	13.8
201.12720	5.1
201.16451	8.3
203.08601	1.9
203.14336	8.9
205.10130	4.0
206.10909	6.7
207.11726	16.6
207.13605	3.5
208.12411	6.3
209.13268	26.1
209.15175	2.5
210.13771	3.8
211.11150	4.5
211.14842	21.5
212.15446	4.1
213.12708	4.6
213.16380	9.2
215.14305	7.4
217.10156	3.3
217.15800	5.2
218.10811	2.3
219.11607	5.9
220.12418	6.4
221.13187	12.6
221.15350	20.2
222.13811	5.7
223.11266	3.1
223.14816	17.5
224.15263	2.6
225.12859	3.9
225.16388	12.0
226.16814	2.9
227.14354	5.9
227.17871	2.2
229.15843	2.2
230.10818	2.5
231.11719	2.4
232.12337	2.9
233.13216	8.0
233.15366	34.1
234.13824	3.5
234.15932	4.7
235.14742	9.2
236.15431	3.6
237.16376	8.6
239.14253	3.3
239.17940	3.3
242.10901	1.9
245.13216	4.5
246.14034	3.5
247.14792	6.4
247.17020	3.5
248.15369	3.3
249.16357	6.9
251.17871	5.8
253.15828	2.2
253.19635	2.1
255.17535	6.1
256.17786	3.3
257.13235	4.0
259.14746	4.7
260.15475	2.8
261.16296	6.8
263.17880	7.0
265.19415	7.0
267.17355	2.0
269.19016	7.5
271.20551	3.0
273.18634	3.8
275.17871	5.1
277.19434	4.1
279.21210	2.3
281.19028	6.5
283.20520	5.2
285.18625	3.3
287.20255	3.3
289.19473	4.2
291.20819	2.5
295.20505	6.5
299.20325	2.2
301.21634	3.6
303.20990	3.2
307.20587	2.1
309.22012	2.5
311.20099	3.2
333.22125	2.0
347.23651	3.6
349.25308	4.2
360.24280	2.2
361.25192	4.7
365.24524	3.4
367.26111	2.6
377.24771	2.1
491.34692	2.3
565.40259	5.4
583.41534	9.9
601.42316	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93549	1.2
53.03941	2.7
54.04229	1.5
55.01855	1.6
55.05513	11.0
56.02383	1.5
57.07072	10.7
59.05002	3.5
65.03928	2.4
67.05507	20.8
69.03432	9.4
69.07068	11.1
71.04979	3.1
71.42102	1.5
71.42441	3.1
79.05492	20.4
81.07058	28.3
83.04961	7.2
83.08620	7.4
85.06536	6.8
87.04479	2.5
91.05480	30.1
92.05794	1.6
93.07051	46.7
95.04977	10.1
95.08611	28.2
97.06535	10.1
103.05460	1.8
105.07033	52.4
106.07351	4.1
107.08601	37.4
109.06531	11.7
109.10156	19.1
110.10480	1.7
111.08084	3.4
113.05977	2.2
113.09593	2.2
115.05412	2.0
117.07015	13.6
119.08587	57.3
120.08916	3.2
121.06529	4.7
121.10149	29.0
123.08077	20.1
123.11691	4.2
124.11511	1.5
125.05988	4.1
125.09619	4.4
128.06218	4.6
129.07014	10.4
129.09113	1.9
130.07820	4.0
131.08580	26.3
132.08977	1.9
133.06497	1.4
133.10132	32.5
134.10413	1.7
135.08073	12.5
135.11691	11.7
137.09621	15.3
139.11157	3.2
141.06979	3.9
142.07791	13.4
143.08562	20.5
144.09291	6.6
145.10129	40.8
146.10492	2.1
147.08043	19.6
147.11682	14.6
149.09607	6.4
149.13275	3.7
149.28204	1.5
151.07553	11.9
153.07051	2.4
155.08614	8.5
155.10675	6.7
156.09319	9.8
157.10129	32.9
158.10753	5.2
159.08041	5.3
159.11693	28.4
160.08786	3.3
160.12033	2.7
161.09586	5.4
161.13277	7.9
163.11162	10.3
165.07004	3.0
165.09106	45.4
165.12706	1.8
166.09415	2.3
167.08572	4.7
167.10641	2.4
168.09300	4.1
169.10130	16.0
170.10825	6.0
171.11687	24.6
172.12244	3.7
173.09569	3.1
173.13275	13.7
175.11163	6.2
175.14784	7.3
176.11621	1.7
177.12682	3.0
179.08522	3.6
179.10721	2.0
180.09280	2.2
181.10107	8.3
181.12193	9.2
182.10847	5.6
183.11707	14.6
184.12279	4.5
185.13290	12.6
186.13631	1.9
187.11189	2.0
187.14784	6.5
189.12735	4.5
191.14238	2.9
193.10103	6.6
193.12093	1.5
194.10901	2.4
195.11725	12.0
195.13322	2.0
196.12212	3.6
197.13260	14.9
198.13611	1.8
199.11145	2.4
199.14790	6.8
200.11975	1.7
201.12547	1.8
201.16362	3.0
203.14316	16.6
206.10896	2.9
207.11656	4.4
207.13824	5.9
208.12483	2.3
208.14430	1.7
209.13242	12.2
209.15117	3.5
210.13779	3.3
211.11282	2.4
211.14830	8.3
212.15331	1.9
213.12721	2.2
213.16185	2.3
215.14281	5.7
216.94022	1.4
219.11626	2.3
221.13298	7.2
221.15350	100.0
222.13884	2.2
222.15791	4.8
223.14799	8.3
224.15457	2.2
225.16368	5.7
227.14163	1.9
229.15846	2.2
231.13908	1.6
233.15460	2.8
234.16031	2.9
235.14680	3.3
235.16876	2.6
237.16389	4.9
238.16759	2.0
239.17943	2.4
247.14670	2.8
247.16939	4.2
248.17502	2.3
249.16298	2.8
251.14632	1.5
251.17888	3.1
261.16306	3.7
263.17892	3.3
265.19577	2.0
269.19226	2.6
283.20599	1.8
285.18640	1.8
286.19153	3.0
287.20139	4.2
289.19467	1.7
291.21179	1.5
295.20392	2.2
299.20084	4.5
300.20560	3.0
301.21420	2.5
313.21466	2.1
325.21802	1.6
349.24982	2.0
352.23886	4.4
353.24271	5.3
365.24698	1.9
366.25076	1.7
367.26138	3.7
391.26273	1.8
393.27673	2.9
435.28809	1.7
441.29480	3.7
491.35110	8.4
503.35049	1.9
509.36057	4.6
521.36053	12.9
525.36548	1.5
559.70679	1.6
565.40424	2.3
583.41693	11.8
586.39429	1.6
601.42456	34.7
604.77771	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
54.82638	2.1
55.01880	2.4
55.05519	19.7
57.07082	10.4
59.05005	2.2
65.03931	4.6
67.05183	2.3
67.05507	34.8
69.03435	15.1
69.07065	17.5
70.72613	4.8
79.05497	34.3
80.05839	2.2
81.03402	2.0
81.07057	42.7
83.04990	14.3
83.08622	12.0
83.22742	1.9
85.06548	7.4
89.06032	2.7
91.05482	58.2
92.05790	4.7
93.06470	3.8
93.07043	62.6
94.07354	2.5
95.04973	15.5
95.08611	36.8
96.05237	2.0
96.08928	3.0
97.06538	12.0
101.59586	2.1
103.05449	3.3
105.04582	2.2
105.07029	100.0
106.07322	4.1
107.04960	4.7
107.08595	66.3
107.47240	2.2
109.06516	15.4
109.10151	32.7
111.08063	4.6
113.09630	2.6
115.05438	6.7
117.07023	26.3
119.08586	78.5
120.08910	4.7
121.06512	15.1
121.10149	71.8
122.10482	3.4
123.08080	17.7
123.11718	8.7
125.06017	4.3
125.09628	14.5
128.06201	10.1
129.07018	20.4
130.07756	8.6
131.08574	43.5
132.08891	3.4
133.06448	5.5
133.10136	60.7
133.93333	2.2
134.10471	3.9
135.08055	16.8
135.11694	21.8
137.09641	10.8
137.13217	2.3
139.11166	6.3
141.06972	8.5
142.07788	24.9
143.08594	42.6
144.09395	10.5
145.06516	4.6
145.10124	60.8
146.07300	2.7
146.10551	6.4
147.08070	15.3
147.11674	20.6
148.08504	2.5
148.12106	2.7
149.09601	19.2
149.13258	5.6
151.07573	7.3
151.11176	2.1
153.07018	4.0
155.08560	17.6
155.10649	6.4
156.09367	18.5
157.10135	64.9
158.10674	8.8
159.08096	12.7
159.11688	37.1
160.12027	4.7
161.09601	12.4
161.13272	8.5
163.11194	13.5
165.07031	5.4
165.09134	16.0
166.07753	3.8
167.08517	7.9
167.10683	35.2
168.09450	4.8
168.10889	2.3
169.10123	24.8
170.10872	11.7
171.11685	32.6
172.12253	5.2
173.09608	9.2
173.13286	23.0
175.11284	10.7
175.14778	13.5
177.09122	3.0
177.12764	3.4
178.07816	2.4
178.09525	2.2
179.08603	10.7
179.10297	2.3
180.09306	4.3
181.10135	14.2
181.12212	7.2
182.10895	9.4
182.12465	2.4
183.11668	22.9
184.12361	5.4
185.09628	3.7
185.13257	23.4
187.11151	5.4
187.14850	9.4
189.12737	9.2
191.08446	2.7
191.14304	5.5
192.09349	3.8
193.10092	10.3
193.12186	2.8
194.10806	9.3
195.11694	26.6
196.12344	9.4
197.09612	3.6
197.13251	26.8
198.13657	3.7
199.11119	5.7
199.14799	11.4
201.12770	3.6
201.16353	4.7
203.08607	2.7
203.14383	11.9
205.09985	3.9
205.15953	2.4
206.10887	5.9
207.11659	13.8
207.13759	5.7
208.12312	5.7
208.14146	3.4
209.13281	21.7
209.15163	3.5
210.13875	6.7
211.11195	5.1
211.14799	14.2
212.15402	4.0
213.12762	7.0
213.16345	6.3
214.12997	2.5
215.14333	6.1
217.10065	2.8
217.15941	5.1
218.10941	4.4
219.11694	6.5
219.17448	2.6
220.12407	5.7
221.13229	15.1
221.15392	32.2
222.13828	3.3
222.15738	6.2
223.14795	15.3
224.15421	3.4
225.12688	5.2
225.16360	8.8
226.16830	3.2
227.14236	5.3
227.17935	2.3
229.15781	3.1
231.11700	4.4
231.17363	2.3
232.12476	3.7
233.13173	6.1
233.15341	24.4
234.16086	4.8
235.14764	9.9
236.15439	3.7
237.12740	2.8
237.14630	4.1
237.16611	3.5
239.14261	3.4
239.17911	4.7
241.15791	2.4
245.13214	5.1
246.14047	2.5
247.14713	7.8
247.16934	3.9
249.16371	8.6
251.18007	6.3
253.16022	3.8
253.19481	2.5
255.17430	5.9
256.17856	5.1
257.13278	2.7
257.18835	2.9
259.14761	5.1
261.16333	4.8
263.17917	4.5
265.19409	5.2
269.18945	13.6
271.20215	3.5
273.18597	4.8
274.19196	2.4
275.17783	3.9
275.20337	2.9
277.19516	3.6
279.20831	2.8
281.18954	7.0
283.20535	3.9
285.18762	4.6
286.18936	2.7
287.19989	8.0
289.19199	3.0
291.19785	2.6
295.20569	3.6
299.20059	6.3
301.22049	2.6
303.19800	2.6
311.19989	3.8
312.20526	2.8
313.21368	3.0
325.21640	4.2
335.23837	3.1
352.23969	8.3
353.24304	9.7
361.25125	3.7
365.24573	4.7
366.25165	4.0
491.34711	2.6
503.34363	4.0
521.35834	7.1
565.40430	5.5
583.41394	14.1
601.42389	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	601.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.4
61.02903	0.8
63.62985	0.2
67.05503	1.2
70.06564	0.3
73.02887	0.3
79.05480	0.6
81.03400	0.4
81.07050	0.6
83.01082	0.3
83.08582	0.2
85.02881	0.9
88.97171	0.2
91.03930	0.4
91.05460	1.1
91.08015	0.2
93.07034	0.7
95.04956	0.3
95.08587	0.4
96.01855	0.7
97.02818	0.4
97.06538	0.5
105.07024	0.8
107.08607	0.5
109.10132	0.5
117.07072	0.3
119.08562	0.9
121.10172	0.4
125.02116	0.3
125.09617	0.3
131.08533	0.4
133.10141	0.5
135.11610	0.4
145.10153	0.2
149.98900	0.3
156.03822	0.3
157.04736	3.1
157.10068	0.3
163.16115	0.3
171.02705	0.4
184.03430	1.9
184.07170	0.3
185.04225	6.1
201.03687	2.3
243.16997	0.2
258.07144	0.4
259.07938	0.4
269.13559	1.9
275.07394	1.1
282.41425	0.3
301.08963	0.8
312.10330	0.2
317.08444	0.4
331.09949	4.9
333.07526	0.2
345.11523	0.4
350.08133	0.5
373.14700	0.8
385.18399	0.6
387.16238	0.8
401.17831	0.3
402.18436	0.3
417.17358	0.6
429.17163	0.4
431.18906	100.0
432.19244	1.0
457.20544	0.8
459.22043	3.1
471.22021	0.4
487.21490	3.4
503.21591	0.4
533.21948	0.4
601.28412	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	601.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93126	0.3
53.75469	0.3
55.05499	0.5
56.96555	0.4
61.02918	0.7
62.64462	0.3
67.05508	0.8
69.07084	0.4
71.26453	0.7
79.05508	0.7
79.82796	0.3
81.03406	0.6
81.07045	1.0
83.01095	1.2
85.02913	0.8
87.66216	0.3
89.27000	0.3
91.03953	0.4
91.05474	1.0
93.07041	0.7
95.01113	0.6
95.04989	0.4
95.08616	0.5
96.01859	0.9
97.02858	0.5
97.06548	0.5
98.97611	0.4
101.56326	0.3
105.06995	0.6
107.08572	0.7
109.10145	0.5
119.08589	0.5
133.10112	0.5
135.11700	0.3
137.06075	0.3
139.03603	0.3
145.10059	0.4
147.11739	0.4
147.57539	0.3
156.03925	1.4
157.04723	0.8
157.10101	0.3
169.09998	0.3
173.06227	0.3
184.03477	2.6
185.04251	3.3
201.03705	3.4
203.05252	2.0
223.13156	0.9
226.01062	0.3
229.07535	0.4
257.06433	0.5
258.06873	0.6
259.07932	2.6
269.13647	1.8
301.08966	0.3
331.10001	3.2
345.11511	0.5
373.14877	0.6
387.16275	0.8
401.17810	0.4
429.17606	0.6
431.18912	100.0
432.19119	1.0
443.22754	0.3
445.20029	0.4
457.20605	1.0
459.22415	1.9
471.23135	0.3
487.21494	3.3
503.21722	0.3
533.22424	0.4
601.28284	7.9
601.37238	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.1
53.03942	7.7
55.01861	2.7
55.05511	21.3
57.03434	2.4
57.07080	13.0
59.04993	4.2
65.03947	5.1
67.05167	3.6
67.05503	38.4
69.03433	16.6
69.06711	3.0
69.07066	26.8
69.32481	7.1
69.32900	7.0
71.04988	7.9
73.26630	1.7
79.05489	38.6
81.03403	2.0
81.07057	45.0
83.04975	21.9
83.08615	14.4
85.02907	2.9
85.06554	8.1
87.04478	5.3
89.06046	4.9
90.99778	1.5
91.04898	3.1
91.05477	63.9
93.07043	69.6
94.07336	2.6
95.04978	24.9
95.08607	37.2
97.06530	17.7
98.21529	3.5
99.08115	2.5
99.26730	1.8
103.05460	5.0
105.04546	2.8
105.07032	100.0
106.07860	3.9
107.04984	5.0
107.08598	72.0
109.06524	19.7
109.10157	31.2
111.04464	1.9
111.08085	8.2
111.11724	2.1
113.06033	3.0
113.09636	6.1
115.05469	10.8
116.06247	3.2
117.07011	28.0
119.06081	2.0
119.08588	86.6
120.09446	4.2
121.06506	17.7
121.10144	60.5
122.07159	2.2
122.10515	3.5
123.08076	35.4
123.11717	6.0
125.09629	14.6
128.06221	21.8
129.07008	28.6
129.09132	2.6
130.07779	12.4
131.08566	47.3
132.09338	6.5
133.06488	6.8
133.08626	3.3
133.10129	55.5
135.08072	20.9
135.11682	15.0
137.05893	1.9
137.09627	17.2
139.11163	6.2
141.06966	12.7
142.07797	35.1
143.08568	56.6
144.09355	17.4
145.06493	4.1
145.10118	76.8
146.07317	2.5
146.10873	3.2
147.08052	19.3
147.11694	22.8
149.09615	18.6
149.13243	3.7
151.07553	10.9
151.11223	4.7
153.07004	4.8
153.09093	2.6
154.07823	6.8
155.08565	27.0
155.10626	14.6
156.09370	22.8
157.10127	78.4
158.10930	13.3
159.08070	27.4
159.11693	48.7
160.08846	8.0
160.12213	2.0
161.09615	19.6
161.13231	10.0
163.11183	13.7
165.06984	11.5
165.09119	15.8
166.07755	4.3
167.08549	16.9
167.10638	19.9
168.09294	9.0
169.10117	36.0
170.10890	15.6
171.08125	3.3
171.11682	51.2
172.08867	3.2
172.12430	5.5
173.09637	12.9
173.13254	28.4
174.10500	2.5
174.89536	1.8
175.11208	22.1
175.14833	7.2
177.09142	2.7
177.12817	3.4
179.08572	15.1
179.10564	2.8
179.14267	3.1
180.09311	9.5
181.10121	26.7
181.12213	6.4
182.10939	13.7
183.07991	3.2
183.11688	35.7
183.13226	2.8
184.12424	7.4
185.09636	5.5
185.13232	32.1
186.10460	2.9
186.14011	4.3
187.11168	11.9
187.14755	10.6
188.11824	2.7
189.12724	9.8
190.13530	5.7
191.08559	3.3
191.14319	7.9
192.09314	8.6
193.10144	21.1
193.12253	6.9
194.10898	11.0
195.07988	2.1
195.11720	36.0
195.13477	3.8
196.12422	8.9
197.09619	5.5
197.13243	32.3
198.13976	4.6
199.11206	9.7
199.14833	21.3
201.12701	8.6
201.16431	2.1
203.14326	15.8
205.10143	7.6
205.12093	3.0
205.16052	2.1
206.10916	8.8
206.84117	1.9
207.11687	21.3
207.13771	7.9
208.12418	10.0
208.14384	3.0
209.09810	3.1
209.13264	32.1
209.15303	2.6
210.10431	1.9
210.14035	5.3
211.11232	6.4
211.14818	22.7
212.11920	3.1
212.15596	3.0
213.12781	11.7
213.16388	7.8
214.13431	3.0
215.14348	10.5
217.10182	2.1
217.12141	2.2
217.15906	5.5
218.11006	4.3
218.16568	5.0
219.11787	8.3
219.13712	2.7
219.17482	3.1
220.12527	8.4
221.09746	2.2
221.13255	16.4
221.15401	36.9
222.14021	6.2
223.11214	4.1
223.14844	21.7
224.15443	3.4
225.12775	8.0
225.16353	13.5
226.13466	2.5
227.14301	6.1
228.14951	2.9
229.15961	4.5
231.11673	5.4
232.12512	4.1
233.13214	8.1
233.15398	27.3
234.14038	4.1
234.16135	6.1
235.14883	14.5
237.12694	3.9
237.14450	3.4
237.16685	16.7
239.14246	4.1
239.17966	4.0
241.15869	5.6
243.17426	2.4
244.12373	3.6
245.13293	6.6
246.13898	5.1
246.16174	2.7
247.14824	9.6
247.17039	3.6
249.12762	3.1
249.16432	12.4
251.17920	7.5
252.18803	2.4
253.15887	5.2
253.19623	3.4
255.17491	34.8
257.19119	2.4
259.14890	4.8
260.15619	2.5
261.16354	8.6
262.17038	2.6
263.14471	2.8
263.17966	7.6
265.15915	2.1
265.19540	6.5
265.25406	3.3
267.17480	5.4
268.18164	4.6
269.19052	11.3
270.19812	8.1
271.14597	2.8
271.17221	3.8
271.20520	2.4
273.16150	3.7
273.18765	4.7
274.19330	3.6
275.17929	5.5
277.16028	3.5
277.19553	5.0
279.17493	4.1
281.19034	9.2
283.20547	3.5
285.18607	5.3
286.19247	6.4
287.17380	2.3
287.20172	5.7
289.19455	3.3
291.21017	2.2
293.19003	3.1
294.19882	2.2
295.20483	5.7
297.18460	3.7
299.20047	7.0
303.19830	6.6
307.20590	3.8
309.22110	2.2
312.20837	4.2
313.21689	5.2
317.19113	2.2
318.19772	2.1
319.20483	2.1
325.21585	5.0
334.22891	2.8
335.23810	4.3
345.22263	4.5
347.23621	6.1
352.24045	12.1
359.23694	2.6
363.22797	2.6
365.24841	11.6
370.98856	1.8
383.25766	7.1
392.26663	2.3
415.25345	2.5
420.29791	2.2
490.34503	3.2
507.34714	4.0
508.34805	3.1
520.35242	6.9
549.36749	3.0
567.38531	3.4
582.40381	3.9
600.41571	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64687	4.4
53.03939	6.7
55.05515	22.3
57.07072	14.0
59.04996	4.2
65.03931	4.6
67.05510	31.3
69.03419	8.2
69.07051	15.8
76.78526	4.5
79.05491	30.5
81.07061	37.5
83.04960	10.9
83.08604	11.3
85.06529	7.8
89.06014	17.1
91.05479	42.3
93.07056	39.9
95.04950	15.3
95.08611	28.5
97.06522	12.6
100.69810	4.3
105.07037	69.4
107.08614	40.0
109.06519	9.8
109.10152	16.1
113.76563	3.7
117.07018	14.5
118.07255	4.0
119.07793	7.2
119.08574	83.6
121.06493	5.3
121.10146	36.1
123.08046	28.2
125.05988	11.8
128.06181	4.7
129.06998	10.4
130.07782	5.1
131.08569	34.8
133.08580	10.5
133.10117	39.6
135.08051	21.5
135.11670	10.7
137.09586	18.3
141.06963	6.2
142.07755	18.8
143.08563	24.5
143.89645	4.4
144.09335	7.4
145.06537	5.9
145.10121	59.1
146.10875	5.7
147.08060	24.8
147.11670	15.1
149.09624	15.2
151.07506	10.6
155.08562	12.2
156.09323	11.6
157.09189	4.3
157.10156	53.3
158.10832	10.6
159.08052	6.8
159.11671	32.3
160.08838	13.9
161.09595	18.3
161.13263	9.9
163.11162	22.0
165.09096	31.0
167.08672	6.5
168.09329	5.5
169.10126	21.5
169.37512	4.2
170.10829	8.4
171.11670	27.9
173.09608	9.6
173.13239	11.3
175.11176	18.7
175.14761	6.8
179.08551	8.4
179.10655	4.9
181.10129	12.5
181.12216	18.7
183.11667	17.8
185.09622	5.7
185.13229	19.0
187.11107	10.1
187.14734	6.9
189.12753	8.6
190.13510	9.1
191.10658	11.5
191.14323	5.5
193.10217	10.2
193.12253	14.7
195.11697	10.0
197.09479	4.6
197.13231	16.3
199.14880	6.9
201.12828	7.4
203.14388	22.5
207.11749	10.2
207.13782	12.3
208.14525	10.3
209.13206	13.7
210.14836	9.4
211.14792	10.4
212.15587	6.6
213.12692	7.2
215.14281	7.0
219.11813	5.4
219.13832	5.6
221.13396	7.5
221.15359	100.0
222.15814	5.6
223.14798	5.7
225.12587	8.1
225.16364	4.3
227.14371	4.6
233.15305	5.8
234.16042	23.4
235.14711	4.6
238.36252	4.3
247.16927	23.6
247.71179	4.8
248.17517	5.1
263.17795	5.5
274.19302	9.4
285.18527	4.3
287.20059	11.3
297.18536	8.6
299.19952	12.9
309.19019	5.2
312.20721	7.5
313.21677	9.3
314.36707	5.0
325.21536	18.0
337.21490	5.4
339.23163	6.6
340.24097	21.3
352.24100	39.3
354.42236	4.3
365.24628	10.5
415.25403	5.7
420.30133	7.4
425.26675	10.7
427.28363	15.9
440.29254	50.0
507.34280	6.5
508.35434	5.1
520.35608	55.2
552.19739	5.3
585.38818	5.4
600.41956	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	600.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.3
55.05503	21.2
57.07073	15.0
59.04998	6.5
67.05509	38.6
69.03438	11.4
69.07063	44.5
70.02702	25.5
70.03094	13.6
74.48673	5.9
79.05495	35.7
81.07057	61.5
82.12534	6.5
83.05025	14.6
83.08627	24.0
89.06041	25.2
91.05487	66.6
93.05783	8.0
93.07064	82.6
95.04977	24.0
95.08618	50.1
97.06528	17.3
97.10141	8.5
98.21420	12.3
105.07040	100.0
107.08614	59.7
109.06522	19.6
109.10188	32.9
117.07040	20.8
119.08575	93.0
120.08918	9.6
121.06538	11.4
121.10168	48.9
122.10503	7.8
123.08070	21.5
123.11719	9.7
125.09646	14.6
128.06216	8.5
129.07010	21.5
131.08566	44.5
133.08626	17.4
133.10162	47.8
135.08078	24.1
135.11691	17.3
137.09610	19.0
141.07057	7.1
142.07747	28.5
143.08591	48.6
144.09259	7.1
145.10138	66.1
147.08049	26.3
147.11710	19.6
149.09605	15.7
151.07545	21.3
155.08577	17.2
156.09386	19.8
157.10147	54.8
158.10635	7.8
159.08054	19.1
159.11710	37.4
160.08719	8.2
161.09641	23.3
161.13240	10.5
163.11230	12.8
165.06996	8.0
165.09154	30.9
166.09404	10.9
167.10649	12.6
168.09427	9.2
169.10146	28.4
170.10948	11.6
171.11678	35.8
172.12079	9.5
173.09647	17.3
173.13243	19.6
175.11240	10.9
179.08559	17.4
179.10635	6.8
181.10146	15.3
181.12206	12.4
182.10844	11.2
183.11690	22.3
185.13249	25.7
186.13747	7.0
187.14833	13.3
189.12790	11.8
193.10115	9.2
195.11685	25.8
196.81624	7.4
197.13286	26.0
199.14853	9.9
203.14354	12.8
207.11714	9.3
208.12486	13.1
209.13269	12.3
211.14777	17.9
215.14371	8.3
219.11714	9.6
221.13353	15.0
221.15292	62.9
222.15742	14.7
233.15430	18.2
234.16034	11.1
235.14763	10.7
249.16415	7.8
255.17401	24.4
265.25275	11.5
275.20001	9.7
300.20621	10.1
303.19550	26.3
313.21634	7.7
325.21603	7.9
352.24063	30.8
365.24649	9.9
398.82645	7.8
415.25525	16.9
520.35724	14.0
567.38538	8.4
582.39990	14.9
600.41345	86.2
605.61597	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	600.303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01874	1.3
55.05502	2.3
57.03434	1.8
61.02926	15.9
65.30634	0.7
67.05499	5.7
69.03439	5.5
69.07062	4.4
71.04992	1.3
71.56272	0.8
73.02922	5.8
78.58408	0.7
79.05492	8.1
81.03421	14.7
81.07072	5.9
83.04983	2.4
83.08627	3.9
85.02908	12.1
85.06568	0.9
87.04491	0.8
91.03970	6.3
91.05482	14.8
91.06017	1.1
93.07043	5.9
95.04981	5.5
95.08625	3.0
97.02894	7.9
97.06533	12.3
97.10178	0.7
98.97581	0.9
99.04440	1.1
100.06768	0.6
101.02355	1.0
103.05475	2.0
105.07030	7.2
107.04973	3.1
107.08601	4.5
109.02892	0.9
109.06551	2.0
109.10138	1.9
111.08092	2.5
115.03926	0.9
115.05482	1.0
117.07017	2.4
119.04933	4.3
119.08596	4.8
121.06508	1.6
121.10128	4.2
123.04436	1.9
123.08095	0.9
125.09623	0.8
127.03933	1.4
129.07016	2.5
131.04913	5.8
131.08583	5.0
133.06461	3.5
133.10132	5.6
135.04437	3.0
136.06190	48.0
137.05980	35.5
137.09633	0.8
143.04930	1.1
145.06471	3.5
145.10097	0.9
147.04427	7.3
147.08116	2.5
147.11690	3.0
149.05986	3.9
149.09601	6.0
157.06494	1.2
157.10143	3.0
159.08072	3.6
161.06009	9.8
161.09657	1.0
163.03955	1.7
163.07558	9.8
164.07092	1.2
171.07993	1.3
173.05963	5.5
175.07532	6.2
175.11183	3.5
177.05518	1.1
179.07016	1.4
183.08037	0.9
185.06004	1.0
187.07536	8.8
188.08447	0.8
189.09106	4.3
191.07033	1.1
193.12263	9.7
199.07594	3.0
201.09154	2.7
203.10666	0.8
211.11540	0.6
211.13271	3.3
213.09108	2.1
215.03293	0.7
215.10727	1.4
223.05977	5.6
233.11739	11.8
239.14516	0.8
249.11206	5.1
250.14380	19.7
251.12749	5.7
256.06085	0.9
257.15353	6.2
267.13660	0.9
267.16107	1.8
268.15466	2.3
284.05655	2.5
285.14624	5.1
285.17575	0.8
293.15680	0.8
301.18076	1.4
302.17651	1.1
303.15842	6.6
311.16479	4.2
329.17499	9.0
341.17557	1.3
346.20187	1.2
347.18555	2.9
355.62045	0.7
394.22339	1.0
403.21237	2.7
420.23575	4.7
421.22287	2.6
438.24878	60.9
516.26160	2.2
546.27289	1.0
564.28015	2.0
582.16364	1.4
582.28430	7.9
600.30115	100.0
601.30566	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	2.1
55.01832	2.0
55.05468	2.8
57.03397	3.2
61.02930	15.5
61.03221	1.1
61.10792	0.6
67.05502	6.0
69.03439	4.7
69.07021	2.8
70.71763	1.6
71.04975	1.1
73.02918	5.3
79.05493	9.5
81.03419	23.9
81.07056	7.6
83.04943	2.4
83.08626	6.7
85.02914	12.7
91.03951	6.8
91.05483	16.0
93.07055	7.2
95.04973	7.7
95.08606	3.6
97.02899	8.6
97.06546	5.8
97.10140	1.4
99.04423	0.9
103.05424	1.0
105.07043	8.3
107.04953	3.4
107.08604	4.6
109.02834	0.9
109.06496	1.7
109.10108	2.0
111.08073	3.5
115.05434	0.9
115.85023	0.6
117.06970	2.3
119.04945	5.9
119.08600	4.4
121.06442	1.8
121.10154	4.1
123.04363	2.7
123.08032	1.1
127.03925	1.0
129.07040	3.8
131.04900	1.3
131.08572	6.0
132.53470	0.6
133.06447	2.7
133.10147	3.7
135.04359	2.4
136.06201	22.2
137.05986	36.5
138.68185	0.6
139.11055	1.0
141.06931	0.7
142.07744	1.3
143.04892	0.7
145.06479	3.9
147.04402	6.4
147.08020	2.2
147.11679	3.4
149.05965	5.1
149.09630	7.9
155.08484	0.9
157.06471	1.5
157.10124	5.1
159.08095	3.4
159.43880	0.8
161.05989	12.3
163.07539	4.9
165.05449	1.5
165.12914	0.7
171.08041	1.1
173.05998	6.6
173.09651	1.3
175.07594	7.7
175.11169	6.2
177.05504	0.7
177.09138	1.1
179.07021	0.7
183.07991	1.6
185.05925	1.0
185.09566	1.6
187.07552	8.3
189.09155	4.6
191.07057	0.8
193.08556	0.7
193.12254	15.0
197.09583	0.9
199.07480	2.8
201.09058	2.8
203.07008	1.0
205.08614	0.8
211.13287	8.5
213.09094	1.7
215.03282	0.7
215.10715	1.8
217.08632	0.9
227.10561	1.1
231.92671	0.7
233.11803	3.0
250.14407	4.2
256.05975	1.3
257.15359	5.3
264.15909	1.7
267.13608	1.1
267.16061	1.4
284.05527	3.0
284.91196	0.6
285.14685	5.6
301.17889	1.2
302.17545	1.7
302.21866	0.8
303.15878	8.4
311.16333	3.6
329.17526	10.7
341.17429	2.1
346.20132	2.3
347.18658	4.1
359.18335	0.7
376.21198	1.0
385.20047	2.0
403.21133	2.6
420.10956	0.8
420.23758	9.4
421.22272	3.6
438.24905	88.8
439.25162	1.5
480.25699	0.8
516.26019	1.7
522.36530	0.7
546.27271	1.9
564.28143	4.1
582.16486	1.6
582.28912	9.3
600.30151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89765	0.6
51.02308	0.6
53.03907	1.9
55.01832	2.0
55.05466	2.7
57.03399	2.0
61.02928	13.5
65.03906	0.8
67.05505	7.7
69.03428	4.9
69.07021	2.1
70.53256	1.6
70.53586	1.0
71.04940	2.4
73.02921	5.5
79.05496	7.5
81.03417	23.8
81.07051	6.4
83.04920	2.4
83.08609	6.6
83.10201	0.6
85.02905	12.5
87.04426	0.8
91.03958	7.5
91.05482	14.8
93.07041	7.4
95.04982	7.2
95.08554	3.0
97.02892	8.7
97.06473	1.7
97.10113	0.9
99.04440	1.0
105.07027	6.6
107.04897	2.5
107.08595	6.2
109.02840	0.8
109.06448	2.1
109.10110	2.9
111.04403	0.9
111.08034	2.7
115.05396	1.5
117.06955	2.0
119.04943	5.0
119.08584	5.1
121.06453	1.7
121.10143	5.7
123.04382	2.2
123.08028	1.0
125.09582	1.7
126.43026	0.7
127.03901	1.2
129.06992	3.2
131.04933	0.8
131.08542	5.9
133.06480	4.5
133.10133	4.5
135.04405	3.9
135.11641	0.8
137.05981	34.0
143.08513	1.4
145.05067	0.8
145.06421	3.9
145.10069	1.0
147.04407	7.3
147.08080	3.5
147.11687	5.4
149.05949	3.9
149.09607	7.4
157.06410	1.9
157.10155	4.5
159.07985	2.9
161.05983	13.0
163.03835	1.1
163.07507	4.9
165.05475	1.4
165.12708	1.0
171.08076	1.5
173.05991	5.5
173.09605	0.8
175.07556	8.7
175.11183	7.2
177.05447	1.3
177.09076	0.9
183.08002	1.1
185.05885	0.8
185.09669	1.2
187.07552	9.7
189.09030	2.7
191.06975	1.7
193.10661	1.1
193.12262	14.3
195.13899	0.8
197.09738	0.9
199.07578	3.3
201.09033	2.3
203.07002	1.4
211.11290	1.1
211.13266	8.6
213.09026	1.5
215.10706	1.2
247.28763	0.6
257.15405	6.1
267.13715	1.9
267.16113	1.5
284.05524	0.7
285.14871	7.4
293.15427	0.8
301.17972	1.5
302.17529	1.4
303.15967	8.4
311.16403	5.2
323.16763	0.7
329.17453	11.0
341.17429	2.3
346.20123	2.1
347.18576	4.1
359.18515	1.2
385.20105	1.9
403.21198	2.9
420.23810	8.6
421.22205	4.0
438.24875	94.3
439.92722	0.7
480.26221	1.3
516.26044	2.1
546.26624	1.8
564.28015	3.5
582.29089	6.8
600.30139	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.2
55.01843	1.5
55.05469	2.5
57.03394	2.2
61.02930	12.3
65.03921	0.9
67.05509	5.7
68.34882	0.6
69.03429	3.9
69.07024	1.4
71.04961	1.4
71.10143	0.9
71.10471	1.3
73.02910	5.4
78.10193	0.7
79.05494	9.1
81.03416	22.7
81.07050	7.5
83.04935	2.0
83.08628	6.0
84.85298	0.7
85.02907	10.7
85.06516	0.8
91.03955	6.3
91.05474	15.9
93.07043	7.2
95.04960	6.5
95.08601	3.2
97.02894	7.8
97.06473	1.3
97.10143	1.2
99.04422	0.8
103.05434	1.1
105.07032	7.1
107.04903	2.5
107.08581	5.0
109.02875	1.1
109.06467	1.8
109.10099	1.8
111.08031	2.5
115.03928	1.1
115.05399	1.3
117.06963	2.1
119.04953	5.2
119.08552	4.7
121.06458	1.4
121.10152	5.2
123.04371	3.1
123.08063	1.0
127.03877	1.3
129.07022	3.2
131.04871	1.1
131.08563	6.0
133.06506	3.8
133.10112	4.3
135.04379	3.4
137.05980	29.0
139.92233	0.7
142.07779	1.1
145.06485	3.7
145.10011	0.8
147.04425	5.8
147.07997	2.5
147.11685	4.1
149.05974	3.6
149.08778	0.6
149.09604	6.6
149.13193	0.7
155.08525	0.8
157.06480	1.6
157.10147	4.7
159.07991	2.0
161.05988	10.2
163.07539	4.9
165.05469	1.2
165.12708	1.1
171.07982	1.6
173.05998	6.1
173.09528	0.7
175.07567	7.9
175.11150	4.9
177.05511	0.7
183.08078	0.9
185.09660	0.8
187.07518	8.5
189.05545	0.9
189.09094	3.0
191.07028	1.3
193.12245	13.0
195.08011	0.8
199.07523	2.8
201.09106	3.6
203.07027	1.5
205.08487	1.0
211.13284	6.2
213.09065	1.3
213.12556	0.7
215.10707	1.2
239.10680	0.8
249.09007	0.8
257.15308	4.8
267.13632	1.4
267.16089	0.8
285.14816	6.5
301.18018	0.9
302.17395	1.5
303.15976	7.6
311.16440	5.3
329.17426	11.1
341.17429	2.0
346.20160	1.9
347.18549	3.4
359.18307	1.1
385.20193	1.2
403.21118	3.1
420.23926	7.4
421.22217	3.8
438.24875	90.9
439.25430	1.5
480.25867	1.1
516.25879	1.9
546.27399	1.5
564.28094	4.4
582.29071	6.8
600.30121	100.0
601.30597	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03078	2.4
51.17030	2.2
52.48798	2.4
53.03936	7.1
55.01880	21.6
55.05512	60.6
57.03442	4.1
57.07062	6.0
57.34766	2.6
59.04993	3.7
59.19262	2.2
60.23798	1.8
65.03928	5.1
67.05508	92.3
69.03429	7.8
69.07068	64.4
71.04982	5.8
71.08593	3.0
71.16985	3.4
71.17316	3.6
72.86371	2.1
75.01849	2.6
77.03933	3.3
77.62839	2.2
79.05493	63.2
80.69749	2.8
81.07056	100.0
83.04999	13.7
83.08626	26.0
85.06542	9.9
91.04906	3.3
91.05486	68.6
93.07045	91.1
95.04954	9.2
95.08609	88.0
95.16561	3.0
97.06540	30.6
97.10173	22.4
103.05478	5.2
105.04541	2.3
105.07034	78.9
107.08606	52.2
109.06544	11.4
109.10161	45.5
110.71181	2.4
111.08056	3.2
111.11768	2.9
115.05454	6.0
117.07024	38.3
119.08586	81.9
121.06497	4.1
121.10145	61.9
123.08044	14.3
123.11718	17.9
125.09612	22.9
128.06219	10.1
128.83092	2.5
129.07008	28.4
131.08575	63.7
133.06499	4.5
133.10143	55.0
135.08073	10.9
135.11681	26.3
137.09631	8.2
139.11232	7.3
141.06979	12.6
141.12755	3.0
142.07793	9.3
143.08553	38.1
144.09370	6.5
145.06487	3.0
145.10129	64.5
147.08040	6.1
147.11676	23.7
149.09579	11.4
149.13268	10.9
151.07520	5.7
151.11150	3.8
154.07712	2.8
155.08563	22.3
155.10646	2.8
156.09329	7.9
157.08850	2.0
157.10126	41.3
158.10928	3.1
159.08101	4.0
159.11705	45.1
161.09554	4.3
161.13289	21.3
163.11194	3.5
163.14841	5.7
165.09128	8.6
165.12747	4.4
167.08627	5.1
167.10687	49.3
169.10130	29.1
171.11667	31.6
173.09583	4.4
173.13252	31.4
173.14525	3.4
174.13455	2.7
174.37151	2.9
175.11198	3.6
175.14838	10.2
175.93481	2.5
181.10101	16.6
181.12314	5.8
182.10936	6.6
183.11690	26.3
185.13275	24.3
187.11179	5.2
187.14784	14.6
189.12650	2.9
189.16399	4.2
191.14352	3.6
193.10156	6.5
195.11732	11.2
197.13248	23.1
199.11269	3.7
199.14806	15.9
201.12730	3.5
201.16432	7.9
203.12788	6.8
203.14426	3.8
207.11725	7.7
207.13699	3.1
208.12506	3.7
209.13283	12.7
209.15114	3.8
211.14847	12.4
213.12805	3.0
213.16405	8.9
221.13359	5.4
221.15402	13.8
223.14839	8.2
225.16354	6.8
227.14232	4.3
227.18015	5.7
233.15450	11.1
235.14891	4.4
239.18073	5.9
241.19556	6.3
249.16286	3.8
251.17865	3.2
251.20134	4.0
257.18948	4.3
259.14536	3.4
265.34549	2.5
275.20160	5.0
277.21786	3.1
283.20639	3.5
285.22079	3.0
289.21564	3.6
291.23102	10.9
293.24826	5.8
295.20593	2.8
297.18774	2.7
297.22122	4.0
299.20050	6.8
299.23550	3.8
303.23178	5.1
311.20114	5.4
311.35440	2.9
315.23264	4.4
317.24774	6.8
325.25226	3.4
329.24942	4.4
331.26328	6.6
337.25415	3.4
343.26611	2.9
345.28268	3.1
347.25571	3.6
355.26309	7.5
357.27963	4.0
383.29431	3.9
399.32623	15.6
405.31580	6.1
411.33020	4.2
423.32761	16.5
437.34174	5.7
447.32397	3.2
455.35190	13.4
475.37885	3.3
487.37854	60.3
499.38092	3.7
501.39328	3.2
511.37643	2.9
517.40552	13.1
535.41315	9.8
541.42395	3.1
549.43127	13.0
567.44086	28.7
581.45898	54.0
599.40204	23.3
599.47040	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	599.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.9
55.01629	2.9
55.01876	30.4
55.05511	30.7
57.03450	4.3
57.07075	4.0
59.04988	2.8
65.03929	4.2
67.05509	57.2
69.03444	10.5
69.07072	36.0
71.04996	5.3
71.56767	3.1
79.05065	4.0
79.05495	52.6
80.53819	2.5
81.03424	6.0
81.07060	54.2
83.04993	12.4
83.08613	14.5
85.06576	2.8
91.05488	54.6
93.07047	53.1
95.04958	15.5
95.08608	37.5
97.06537	48.7
97.10161	11.8
99.08107	3.4
103.05450	4.4
105.07037	64.0
107.04960	12.6
107.08599	59.7
108.29253	2.2
109.06521	9.1
109.10156	21.6
111.08091	8.2
115.05454	5.4
117.07034	20.2
117.18947	2.0
119.08592	43.5
120.00372	2.1
121.06499	6.2
121.10151	32.1
123.08045	11.4
123.11722	8.0
125.06006	2.7
125.09644	16.7
125.10397	2.7
128.06241	3.3
129.07008	7.6
130.07782	3.4
131.08591	29.1
133.10126	45.8
135.08023	9.7
135.11687	13.3
137.09615	8.1
141.06989	4.3
141.61823	2.2
142.07809	7.0
143.08566	14.2
145.10133	31.9
147.08076	8.6
147.11707	22.6
149.09628	29.0
149.13255	5.7
151.07542	5.0
151.11201	5.8
153.09111	6.0
155.08571	10.2
156.09355	6.2
157.10124	19.1
159.08041	5.8
159.11707	21.9
161.09639	3.2
161.13269	10.3
163.11154	10.8
165.09148	12.7
165.12813	2.6
167.08589	3.6
167.10713	20.4
168.09392	2.8
169.10138	11.0
170.10976	2.7
171.11697	11.0
173.09608	3.0
173.11852	3.6
173.13280	14.6
175.11235	7.2
175.14799	4.9
177.12750	2.8
179.08530	2.8
179.14281	4.8
181.12254	5.2
182.10948	2.8
183.11707	11.0
185.13232	5.2
187.11188	2.9
187.14798	2.9
189.12778	5.6
191.14305	4.6
195.11638	7.2
196.12393	2.6
197.13246	8.7
199.14848	3.5
203.12764	9.7
203.14404	5.2
207.11908	2.3
207.13715	5.2
209.13290	4.5
209.15207	3.1
211.14842	5.6
213.16383	2.8
215.14371	4.6
219.13901	2.7
221.13264	5.0
221.15399	23.6
223.14906	2.6
225.16486	3.2
229.19572	2.4
233.13251	2.5
233.15352	6.6
239.18022	5.9
242.39095	2.0
247.16951	2.9
251.14249	2.7
255.72357	2.6
257.19019	17.2
261.16171	2.6
275.20074	100.0
289.21655	34.0
293.21146	6.1
307.22632	8.2
321.76376	2.3
391.26202	2.6
507.34586	7.9
541.25293	2.3
563.40601	2.6
581.40930	7.3
599.41064	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4097
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
51.86207	1.0
53.03939	3.1
55.01873	1.3
55.05521	8.1
55.11105	0.9
57.07073	5.6
59.04993	4.4
59.92666	0.9
65.03940	3.1
67.05508	15.6
69.03438	7.4
69.07071	15.0
71.04995	1.4
71.27937	1.7
79.05501	13.7
81.07061	22.5
83.04979	6.6
83.08629	6.7
85.06548	3.5
91.05483	23.5
93.07045	47.4
95.04981	12.4
95.08044	2.0
95.08610	23.9
97.06529	8.9
97.10175	2.3
98.98426	1.2
103.05479	2.8
105.04514	1.8
105.07038	33.2
105.07755	1.7
107.04965	2.2
107.08597	25.5
109.06532	7.2
109.10162	12.2
111.08099	3.1
111.11742	2.6
113.09654	1.3
115.05447	2.1
117.07043	8.5
119.04939	1.0
119.08591	35.7
121.06503	6.0
121.10149	56.2
122.07281	1.3
123.08064	15.2
123.11675	5.3
125.06018	2.2
125.09653	3.6
128.06238	4.0
129.07025	7.6
130.07829	1.3
131.08582	17.0
133.06537	2.5
133.10139	25.1
135.08075	9.7
135.11737	6.4
137.05984	1.3
137.09637	5.5
139.11212	4.1
141.07002	3.2
142.07773	9.0
143.08574	18.0
144.09387	3.2
145.10133	26.9
147.08032	11.9
147.11726	7.4
149.09622	18.0
149.13268	2.1
151.07562	13.3
151.11252	1.7
152.06232	1.2
153.07042	1.3
153.09314	1.2
154.07715	1.6
155.08575	6.4
155.10686	2.2
156.09389	8.7
157.10143	21.7
158.07182	1.1
158.10905	2.5
159.08080	6.9
159.11699	16.8
161.09621	8.2
161.13264	4.9
163.11150	5.2
165.06999	3.7
165.09135	12.5
166.07809	2.6
167.08479	4.2
167.10681	83.4
168.09348	2.7
169.10126	11.6
170.10936	4.5
171.11714	15.6
173.09630	5.3
173.13246	9.9
175.11195	2.7
175.14822	6.4
177.09102	1.5
177.12746	1.2
179.08629	6.2
179.10666	1.3
179.14250	1.4
180.09349	2.3
181.10188	5.1
181.12236	6.8
182.10956	3.6
183.11703	12.2
185.09615	4.1
185.13307	7.4
187.11200	2.6
187.14824	6.5
189.12796	6.5
191.14281	3.6
192.09416	2.0
193.10152	6.7
193.11928	0.9
193.15961	1.2
194.10945	4.2
195.11713	12.6
195.13542	1.6
196.12489	3.1
197.09660	1.4
197.13307	9.8
198.13904	1.0
199.11218	3.7
199.14908	4.5
201.12804	2.2
201.16374	1.5
203.14278	6.9
205.10190	1.6
205.15924	1.8
206.10957	1.9
207.11726	5.9
207.13852	7.0
208.12512	1.7
209.13313	10.3
209.15421	4.5
210.14142	1.2
211.11179	2.8
211.14857	5.3
213.12773	3.6
213.16333	2.5
215.14343	4.2
217.10158	2.0
217.15913	2.4
219.11728	3.0
219.13759	1.7
220.12492	2.3
221.13261	6.7
221.15431	26.3
222.14026	2.4
223.11270	2.6
223.14839	5.6
224.15736	1.7
225.12822	2.5
225.16446	2.0
227.14354	2.4
229.15849	1.7
231.11775	3.2
232.12596	1.3
233.13249	4.6
233.15355	23.5
235.14842	4.1
236.15517	1.1
237.12752	1.5
237.16455	2.7
239.14424	3.0
239.17970	1.4
244.12399	1.2
245.13280	4.0
246.14090	2.0
247.14827	3.5
247.17033	2.5
249.12708	1.2
249.16504	2.4
251.14311	1.4
251.18124	2.9
253.15976	1.4
255.14043	1.0
255.17491	1.9
257.19116	1.3
258.14313	1.4
259.14722	2.2
259.17093	1.6
260.15546	1.9
261.16330	2.1
263.17871	1.8
265.16330	1.2
265.19534	1.8
267.17618	1.3
269.19009	2.6
271.14725	1.6
271.20343	1.0
273.16132	1.7
273.18640	3.0
275.17847	2.4
277.19482	1.5
279.17441	1.2
281.18970	1.6
285.18774	2.3
286.19357	1.3
287.20276	3.4
293.19156	1.1
295.20663	2.0
299.20273	6.3
311.20062	3.8
347.23752	2.0
349.25348	1.7
351.23648	1.4
353.24985	1.4
359.23782	2.0
365.24887	3.6
373.25537	1.3
377.24887	2.4
379.25967	1.4
391.26321	2.6
393.24243	1.9
396.46664	1.1
419.29620	2.3
507.34631	2.1
525.33862	1.2
563.39099	3.0
571.41052	2.5
581.39923	19.3
599.40973	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4096
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
53.03946	3.2
55.01889	1.2
55.05515	6.2
57.03448	1.5
57.07077	5.8
59.05004	2.1
61.21358	1.2
65.03965	1.7
67.05516	10.2
69.03434	5.9
69.07066	14.6
69.77142	6.5
69.77806	1.4
71.04991	1.8
79.05490	12.6
81.07066	19.0
83.04974	4.5
83.08627	4.4
85.06540	3.6
91.05489	21.2
93.07051	40.0
95.04978	9.3
95.08605	15.6
97.06544	7.2
103.05486	1.4
105.07039	34.1
107.08593	21.3
109.02849	1.6
109.06535	6.7
109.10156	10.2
111.11738	3.3
115.05466	2.8
116.06277	1.6
117.07043	8.3
119.08588	30.7
121.06515	5.9
121.10143	59.4
123.08067	14.6
123.11727	4.3
125.06032	2.5
125.09631	3.0
128.06236	4.7
129.07016	6.9
130.07762	3.6
131.08565	14.8
133.06471	2.4
133.10132	22.8
135.08101	6.2
135.11760	6.8
137.09615	5.3
137.13365	1.3
139.11243	3.4
141.07034	3.7
142.07779	8.7
143.08559	16.0
144.09370	2.6
145.10124	25.9
146.07275	1.4
147.08064	11.2
147.11671	6.7
149.09622	13.5
151.07558	13.1
151.11189	2.4
153.07010	2.0
154.07797	1.7
155.08577	4.4
155.10654	2.3
156.09377	4.9
157.10135	19.9
158.10944	2.1
159.08014	6.7
159.11708	13.0
161.09631	5.1
161.13281	3.5
163.11214	4.9
165.07045	2.2
165.09126	14.3
167.08475	4.4
167.10683	100.0
168.09399	2.5
169.10159	11.0
170.10947	1.9
171.08051	1.7
171.11697	11.7
172.12421	1.5
173.09694	2.2
173.13260	8.6
175.11188	3.2
175.14864	4.0
177.09029	1.7
179.08609	4.1
180.09441	1.9
181.10199	6.5
181.12244	4.0
182.10953	5.4
183.11731	12.8
185.09656	3.6
185.13281	7.3
187.11201	2.7
187.14935	3.7
189.12743	7.4
191.14375	2.9
192.09378	1.8
193.10152	4.8
193.12149	1.3
194.10941	4.4
195.11751	10.2
196.12506	2.1
197.13263	10.2
199.11259	2.5
199.14880	4.6
201.12802	4.2
203.14342	6.6
205.10204	2.8
205.16010	1.4
206.10977	2.3
207.11760	7.2
207.13881	5.3
208.12524	3.1
209.13322	9.5
209.15239	1.9
210.14006	2.0
211.11168	3.1
211.14870	4.4
213.16411	2.5
215.14369	3.2
217.10104	1.4
217.16000	1.5
218.10995	1.7
219.11717	2.3
219.13832	2.0
220.12477	2.2
221.13280	5.8
221.15424	26.7
222.14047	1.3
223.14876	5.9
225.12752	3.6
225.16472	3.2
227.14265	1.9
227.18153	1.5
229.10098	1.4
229.15912	2.0
233.13280	2.6
233.15366	27.5
233.17508	2.2
235.14847	3.7
235.16969	2.3
236.15472	1.3
239.14288	1.6
245.13446	1.4
247.14761	3.4
247.17024	3.6
249.12714	1.9
249.16454	2.2
251.14230	1.3
251.17957	3.9
253.15726	1.3
255.17494	2.1
259.14847	2.0
261.16437	2.0
263.17953	2.6
265.19696	1.4
269.18881	1.8
273.18634	2.7
279.17456	1.5
285.18796	1.9
286.19431	2.8
287.20239	2.4
293.19116	2.2
297.18854	1.6
297.22141	1.4
299.20270	6.6
307.20557	1.6
311.20090	5.7
312.20758	1.7
313.21744	1.7
315.21423	2.0
351.23267	1.6
361.25272	2.3
365.24844	5.5
373.25546	1.4
377.24481	2.0
391.26416	3.9
419.29279	1.9
507.34543	3.8
563.39154	2.0
571.41211	1.7
581.40033	12.0
599.40955	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.4
60.04505	0.8
61.02929	3.7
65.14611	0.8
69.85722	3.2
84.08134	3.2
85.02879	1.1
91.05475	1.3
92.24604	0.9
96.04461	1.3
98.06052	0.7
98.21369	1.0
98.97575	3.5
105.07024	1.0
110.97579	0.8
114.05489	1.2
119.04942	1.0
119.08589	1.5
120.08156	0.9
124.49083	0.7
128.98572	1.0
129.07004	3.9
131.08582	2.0
134.45811	0.8
140.07059	11.5
147.04416	1.1
147.08098	5.8
149.06020	1.2
149.09674	1.1
157.01709	2.0
157.06516	1.8
157.10136	1.4
158.08136	18.4
158.99649	1.2
159.08075	1.8
160.05266	1.9
161.05937	1.6
174.06918	1.0
174.12743	1.3
175.02788	2.3
175.07570	10.8
177.09103	2.9
179.07037	0.9
182.29597	0.9
185.09616	1.4
189.09058	1.1
191.10660	1.3
195.07970	1.0
197.08337	0.9
202.12228	1.7
203.07008	2.7
203.10686	2.4
205.08583	1.8
205.91129	0.7
213.09059	1.1
216.07864	1.2
217.03906	2.0
219.01804	1.6
219.10164	1.6
230.11781	2.4
231.07005	0.8
237.02762	2.0
244.13249	1.2
245.11681	1.4
245.66325	0.8
248.12831	7.6
262.14435	2.5
275.08093	0.8
280.15442	100.0
281.15436	0.9
302.12350	0.9
303.09033	0.7
307.80713	0.7
319.07028	7.2
337.07925	2.8
348.08020	0.9
415.08850	0.9
515.20313	0.7
599.18848	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.01633	1.8
55.01862	11.0
55.05512	52.4
57.03437	18.8
57.07095	1.8
59.04990	5.8
61.02938	8.2
65.03936	2.1
67.05505	95.8
69.03431	8.6
69.07076	16.8
71.01350	3.1
71.04988	6.0
71.17540	3.2
71.69202	1.5
73.02910	5.5
73.71917	1.6
75.04480	2.6
79.05498	27.4
79.05949	1.4
81.03414	14.5
81.07053	34.1
83.01337	2.4
83.04976	14.3
83.08623	20.4
85.02907	30.1
85.06538	3.6
87.04472	10.7
91.03941	4.8
91.05485	14.3
93.07038	17.1
95.04978	7.6
95.08611	20.6
97.02911	10.0
97.06526	5.9
97.10172	41.7
99.04460	2.8
99.08087	2.7
102.86639	1.5
103.03941	15.0
105.07024	10.5
107.04957	6.1
107.08586	18.8
109.10162	80.4
111.04428	4.6
111.08080	5.2
117.07029	4.7
119.08570	13.6
120.91844	1.9
121.10149	7.5
123.08086	3.9
125.08762	3.2
125.09636	48.3
125.60667	1.7
127.03911	4.6
127.11240	1.8
129.06981	2.6
131.08543	4.8
133.10167	3.9
135.08102	2.1
135.11707	9.1
137.06009	1.9
137.09595	6.4
143.10701	10.4
145.10132	9.7
149.09610	4.0
153.01799	1.6
153.12747	16.4
155.10616	9.0
157.10144	2.6
163.11182	17.1
167.10654	2.4
173.09590	4.1
173.11748	46.5
181.12204	10.6
184.07339	1.8
189.11200	4.2
191.10698	8.8
199.13345	9.0
209.11760	10.5
217.14368	10.0
227.12730	21.0
229.14359	100.0
242.07883	1.9
245.13876	4.8
257.13879	22.0
283.15338	19.7
301.16470	57.0
319.17422	11.9
401.25085	4.6
535.14716	2.0
536.29242	4.3
580.31372	3.1
598.33008	2.8
598.40375	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	599.2502
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
55.05509	2.5
57.07047	1.1
58.06618	1.0
67.05508	5.3
69.07074	1.3
71.26809	1.6
79.05511	4.1
81.07064	6.3
83.05015	1.0
83.08616	2.5
85.06537	1.4
85.82600	0.9
90.38770	0.9
91.05470	5.1
93.07045	5.3
95.04946	1.9
95.08608	5.8
97.06511	1.8
105.07027	5.2
107.08601	5.5
109.06504	2.0
109.10164	3.3
111.08031	0.9
117.07002	1.4
119.08571	5.1
121.10155	6.3
123.08022	1.3
124.48716	0.9
125.09621	1.0
128.38147	1.0
131.08582	3.4
133.10133	3.8
135.08075	1.2
135.11719	2.1
137.09636	2.1
142.07806	1.9
143.08549	2.3
145.10104	4.5
147.08046	2.2
147.11711	1.5
149.09583	2.2
155.08578	1.2
155.10614	0.9
157.10130	4.4
159.08107	1.3
159.11713	2.5
161.13191	1.2
163.11214	1.7
165.09175	1.9
167.10744	1.0
169.10143	1.9
171.11703	2.5
173.09576	1.2
179.08574	1.3
179.14427	1.2
181.10179	1.5
183.11703	1.3
185.13301	1.3
187.14833	0.9
191.14316	0.9
195.11760	1.5
207.11752	1.1
209.13297	1.4
211.14818	1.2
218.10535	0.9
221.15405	6.0
233.15242	1.3
236.13052	1.1
237.13794	2.6
251.11794	1.6
265.13266	1.0
273.18655	1.2
275.20123	3.2
276.14722	1.1
279.15073	1.4
299.14206	0.9
314.16403	1.7
315.17682	1.1
330.19519	1.3
339.16245	2.5
340.17648	1.4
351.16193	1.6
352.17899	1.7
353.17642	4.1
354.18408	5.3
358.19244	1.7
363.16220	1.4
365.17734	2.1
366.18640	1.6
367.15396	1.2
367.19620	1.7
369.20770	14.6
377.17886	1.4
379.19260	7.9
381.16806	1.3
381.21207	1.5
382.17709	1.3
384.09821	0.9
391.19263	1.2
393.20956	1.1
397.20364	7.3
405.21161	1.2
409.20316	2.5
423.22131	1.5
425.19751	20.9
426.21683	1.6
427.21530	1.1
433.20462	0.9
437.19751	2.4
438.20667	1.1
439.21951	1.1
441.22702	1.5
451.21439	13.3
452.22067	3.5
453.19366	3.9
455.24536	2.5
456.25290	4.0
461.19852	2.0
462.20511	3.7
463.90381	0.9
467.24332	3.2
468.20728	0.9
469.22531	1.7
474.21982	0.9
479.20984	1.6
483.23895	2.5
484.24911	7.4
493.22473	1.6
497.21420	2.0
507.34720	1.4
511.23755	5.0
512.24225	35.1
521.21912	2.6
539.22931	39.4
540.23724	1.6
581.24146	1.7
582.22424	2.3
598.62573	1.1
599.25037	100.0
599.40912	6.8
599.50525	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	597.303
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03939	1.7
55.01883	0.7
55.05270	0.9
55.05511	12.7
57.03435	5.3
57.07076	3.4
61.58027	0.6
65.03345	0.6
65.03930	1.5
67.05504	37.2
69.03410	1.0
69.07069	17.5
69.81868	3.2
71.04997	1.7
71.08625	1.0
79.05061	1.0
79.05492	12.4
81.03429	5.8
81.07057	41.4
83.04977	1.7
83.08620	8.0
85.02876	1.0
85.06520	1.1
86.09699	1.1
91.05476	8.0
92.15771	0.6
93.06480	1.0
93.07042	15.3
95.04972	2.6
95.08607	31.1
97.06515	2.5
97.10154	4.0
98.81465	0.7
98.98468	35.3
99.04488	1.5
99.08094	0.9
105.07031	7.2
107.08585	8.8
109.02868	5.4
109.06513	1.2
109.10152	11.3
111.08087	1.2
111.11765	0.6
113.09655	0.7
117.06963	1.2
119.08573	6.9
121.06467	0.9
121.10139	7.0
123.08051	0.9
123.11715	4.8
127.03883	1.1
129.97725	0.7
131.08534	2.3
133.10127	5.6
135.11684	4.5
137.09584	1.1
137.13211	2.3
143.08598	1.2
145.10133	2.1
147.11665	2.9
149.09550	1.0
149.13245	2.2
151.14793	1.0
155.01047	23.7
157.10138	1.2
159.08109	1.0
159.11639	1.5
161.13219	2.9
163.06023	1.3
163.11166	0.6
163.14798	2.0
165.16389	1.2
167.10675	1.1
169.10213	1.0
171.11720	1.2
173.02090	2.3
173.13268	1.0
175.14835	1.8
179.08559	0.9
181.12228	0.8
183.11691	1.0
187.14839	1.1
209.13245	1.0
217.19635	0.8
221.15309	1.6
243.02531	0.6
245.22758	4.8
261.03796	3.1
263.23734	8.8
288.60419	0.7
299.05002	1.0
299.19794	0.9
317.06342	5.1
319.26379	1.9
335.07333	3.0
337.27356	100.0
425.28992	2.8
561.27875	2.3
567.16730	0.8
597.39374	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	597.1817
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
55.01867	11.6
55.05245	3.0
55.05503	3.0
56.96563	3.0
57.03422	5.4
61.02924	5.2
65.03957	4.6
67.23679	2.9
68.22795	2.7
69.03420	11.0
69.07058	3.4
69.68628	4.5
69.69039	13.9
70.06610	4.7
79.05492	7.5
81.03422	17.6
81.07032	5.1
85.02909	49.7
87.04461	2.9
91.05470	10.2
93.03400	14.9
95.04969	8.6
97.02892	17.8
97.06570	3.2
98.97604	5.8
103.03928	4.1
105.03364	4.9
105.07038	6.0
107.04954	25.2
109.02893	16.5
109.06506	3.0
111.04455	4.2
115.05474	2.9
119.04920	10.4
121.02862	17.4
121.06477	9.6
123.04430	13.0
127.03891	8.8
131.04927	7.9
131.08574	9.7
133.02832	2.8
133.06175	12.8
135.04431	17.3
137.02304	3.9
137.05978	4.8
139.03860	7.0
145.02856	3.9
145.06471	5.9
147.04405	20.7
149.02342	5.8
149.05978	5.7
149.09601	3.4
151.03949	8.2
153.01842	6.8
158.99579	3.0
159.04436	10.4
161.05980	8.2
163.03908	9.2
165.01846	12.2
167.07005	7.5
171.04369	4.0
173.02312	5.5
173.05988	11.0
175.03877	7.8
175.07462	3.2
177.01846	19.3
177.05452	13.9
181.05014	9.0
183.02840	4.0
187.03926	10.6
187.07571	3.4
189.01833	28.3
189.05496	5.9
191.03407	20.6
191.10669	3.1
195.02901	30.5
199.03914	3.5
201.01836	6.9
201.05475	10.2
203.03421	18.3
205.01346	13.6
205.05087	8.0
207.02898	43.5
209.04483	5.1
209.11743	15.1
211.04126	3.3
213.05400	6.0
215.03378	11.3
217.05042	5.9
219.02916	99.3
221.00778	5.0
221.04480	5.7
223.02412	14.0
223.06322	4.0
225.03917	20.7
227.03270	6.7
229.01224	3.1
229.04988	19.6
231.02884	56.2
233.04482	18.7
235.02469	3.6
237.04004	19.6
243.03038	27.0
243.05342	8.3
245.04433	10.2
247.06216	5.8
249.03902	15.1
253.04886	5.9
255.02907	9.7
255.05301	5.9
257.04529	19.4
259.08466	3.2
261.03943	100.0
261.06497	3.8
265.07471	8.8
269.04297	5.7
271.02515	4.9
271.05994	8.5
273.03909	41.8
273.06537	16.5
283.08478	8.1
285.04013	52.3
285.07230	4.4
287.04950	4.6
291.05106	22.2
295.06152	4.6
296.08340	3.1
297.04337	13.6
297.07370	13.7
299.05411	9.0
303.04944	27.3
307.08701	6.2
309.03983	4.9
309.07498	9.7
315.04965	10.1
321.05911	15.8
327.04922	41.2
327.08609	23.5
339.08270	35.2
345.06027	9.2
351.08572	17.8
357.05774	7.5
357.09521	5.7
363.07047	34.1
375.07410	4.5
375.32690	3.2
381.09689	37.0
387.07187	6.3
393.09595	33.1
395.06506	3.7
403.13474	4.2
405.08441	40.8
409.09268	3.7
411.10443	14.0
417.10315	15.2
417.15302	4.6
423.10303	26.1
427.12891	4.6
429.11868	33.6
435.11636	4.2
441.11041	45.4
447.10632	27.6
459.12656	32.7
465.11929	9.6
477.12216	9.4
483.12778	13.3
489.11627	3.6
495.12799	23.0
507.12582	9.3
525.13593	11.7
543.14880	16.7
589.60962	3.1
615.84863	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	597.111
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	4.9
57.32314	0.9
63.71365	0.9
69.55984	5.3
81.03448	1.1
84.96037	3.7
85.02920	1.2
94.92957	0.9
98.97591	45.1
110.97574	23.4
112.99126	1.6
116.98650	8.5
124.99143	1.0
128.98602	13.2
131.00185	1.8
138.05490	0.8
140.98608	5.6
143.00153	8.4
146.99683	3.6
152.98598	3.8
158.99652	17.4
161.01224	4.7
170.99660	34.1
173.01178	1.5
177.00731	6.6
182.99649	16.3
189.00723	22.3
201.00714	34.4
207.01793	1.5
213.00746	3.0
218.98512	1.1
219.01781	27.1
231.01811	3.3
232.03358	1.2
237.02864	11.2
242.99405	0.9
243.01765	19.6
248.50259	0.9
254.99455	2.2
255.04037	1.2
261.02832	64.2
272.97739	1.1
273.00592	1.6
273.02933	5.8
279.03882	24.3
291.03888	9.2
305.07495	1.0
315.04303	1.5
321.04919	16.8
333.04987	3.4
351.06018	6.9
381.07013	11.9
381.14459	1.0
399.08020	9.1
417.04736	100.0
435.05814	9.4
441.09253	15.1
529.11041	1.5
607.39825	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01871	9.6
55.05507	56.1
57.03436	21.5
57.07061	2.1
58.49149	1.2
59.04995	7.9
59.17670	1.0
61.02923	6.6
65.03945	2.3
67.05502	100.0
69.03426	6.3
69.07068	13.7
69.64743	5.2
69.65153	2.6
71.01356	2.3
71.04987	4.3
73.02911	4.7
75.04498	2.3
79.05490	26.0
81.03413	15.3
81.07054	36.0
82.43901	1.7
83.01327	1.4
83.04977	14.6
83.08612	22.0
85.02896	24.7
85.06567	5.5
86.12382	1.1
87.04467	10.3
91.03960	2.9
91.05481	13.1
93.07041	15.2
95.04945	7.1
95.08604	17.2
95.24789	1.2
97.02878	7.5
97.06532	8.0
97.10165	38.4
98.20758	2.4
99.04463	1.4
99.08100	2.4
101.02367	1.8
103.03954	13.6
105.04530	1.2
105.07018	7.1
107.04913	6.0
107.08595	19.6
109.02823	1.6
109.06517	2.9
109.10153	87.8
111.04411	4.7
111.08079	6.1
117.07025	3.8
119.08575	12.1
121.06525	2.5
121.10136	6.5
123.08052	3.0
125.09624	47.1
127.03856	1.1
129.05473	2.4
129.06964	1.2
131.08565	2.9
135.08063	1.7
135.11688	9.4
137.09587	5.1
143.10638	8.9
145.10136	8.0
147.08040	1.8
149.09616	2.4
153.12752	11.7
155.08673	1.4
155.10667	17.1
159.06552	1.8
163.11188	16.5
173.04401	1.7
173.09601	3.8
173.11731	43.3
173.13190	2.5
181.12204	10.4
189.11217	3.2
191.10687	7.5
193.12225	3.4
199.13290	12.2
209.11726	13.3
217.14365	7.1
227.12761	19.7
229.14345	94.6
239.27818	1.4
244.21446	1.3
245.13805	4.6
257.13855	28.1
267.15976	1.7
273.17084	1.3
283.15378	20.6
301.16446	50.9
319.17499	12.9
341.19339	1.2
399.23801	2.4
519.85736	1.1
582.35938	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01876	8.2
55.05512	47.5
57.03439	17.7
57.07056	1.9
59.04996	5.6
59.17361	0.9
61.02918	6.3
65.03929	1.2
67.05505	100.0
68.05831	0.9
68.72298	0.9
69.03435	5.6
69.07066	13.6
70.50429	0.9
70.52344	3.6
71.01345	3.1
71.05003	5.8
73.02900	3.2
75.04455	1.2
79.05070	1.8
79.05497	28.3
81.03419	16.7
81.06586	1.7
81.07056	33.7
83.01322	1.3
83.04994	11.4
83.08621	19.1
85.02430	1.7
85.02905	25.6
85.06548	5.1
86.09710	2.3
87.04474	9.2
91.03947	2.1
91.05483	13.2
91.94715	1.1
93.07047	16.2
95.04967	7.4
95.08605	14.9
97.02903	9.2
97.06534	8.5
97.10168	28.7
98.21023	1.7
98.98459	1.5
99.04453	2.2
99.08057	1.5
103.03947	11.1
104.10738	1.9
104.41624	0.9
105.07037	4.4
107.04966	6.5
107.08604	17.4
109.02884	1.6
109.06512	2.9
109.10155	71.8
111.04440	4.2
111.08073	5.0
117.07010	4.8
119.08566	10.9
121.06493	2.2
121.10155	6.7
123.08039	3.3
125.00021	1.2
125.09629	36.0
127.03893	3.0
127.11215	1.0
129.06993	1.8
131.08546	5.3
133.10147	1.9
135.08043	1.1
135.11694	5.1
137.06006	2.2
137.09619	4.0
143.10689	8.2
145.10126	6.9
147.07986	1.3
147.11665	1.8
149.09625	1.8
153.12766	10.9
155.08641	1.5
155.10680	12.0
159.06575	1.3
163.11201	14.6
173.04401	2.0
173.09618	3.0
173.11742	32.5
175.11224	2.1
181.12225	8.9
184.07361	7.2
189.11212	2.7
191.10710	6.4
193.12265	5.1
199.13277	14.0
209.11736	14.2
217.14354	3.7
227.12756	15.5
229.14355	64.8
245.13818	3.6
257.13837	50.8
262.22504	1.5
267.15854	1.7
283.15405	14.2
295.81317	0.9
301.16470	40.3
319.17505	8.0
336.25919	2.9
399.23770	1.8
534.28046	9.3
578.30463	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.8
55.05511	13.5
57.03444	6.9
57.07080	1.3
65.03919	1.7
67.05508	37.5
69.03426	2.0
69.07072	11.9
71.04970	1.3
71.56978	1.8
79.05493	26.5
81.03423	8.0
81.07060	34.7
83.04983	1.4
83.08620	5.2
85.02883	2.3
85.06544	1.5
85.51931	0.9
90.49841	0.9
91.05487	14.8
93.06482	2.0
93.07051	32.9
95.04987	2.7
95.08614	26.6
97.06498	2.7
97.10157	2.8
98.98466	41.3
99.04467	2.0
105.07014	13.1
107.07874	1.3
107.08599	17.8
109.02881	6.5
109.10154	10.2
111.08089	1.3
113.09548	1.1
117.06985	3.5
119.08589	10.6
121.10141	12.5
123.11697	3.4
125.09653	1.2
127.03928	1.3
129.07019	1.7
131.08568	7.4
133.10159	7.0
135.11687	8.3
137.09651	1.1
137.13205	0.9
145.10147	6.2
147.11699	5.8
149.13269	7.7
153.12520	1.0
154.99883	1.8
155.01045	21.8
157.10133	2.1
159.11694	3.1
161.13269	4.6
163.14836	3.2
167.18706	1.1
168.35532	0.9
171.11681	2.0
173.02098	2.9
173.13251	3.6
175.14825	2.1
187.14787	2.2
201.16345	1.5
227.12971	1.0
243.02814	1.1
243.21107	8.0
261.03671	3.7
261.22128	14.1
277.21695	1.2
317.06223	4.0
317.24805	5.2
319.19479	1.2
335.07544	5.3
335.25800	100.0
372.13391	1.0
415.22415	2.4
415.36102	1.4
423.27158	2.6
559.27271	2.0
594.45441	5.3
595.37042	1.3
595.45569	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	595.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.3
53.85892	1.3
55.01883	2.0
55.05513	10.0
56.96576	1.3
57.03431	3.7
57.07080	3.3
59.05004	1.9
61.02911	1.3
67.05509	13.2
69.03434	22.2
69.07067	5.7
69.83630	4.1
69.84042	2.6
70.06606	1.8
71.04999	3.7
72.08148	1.7
73.02903	2.0
79.05505	8.1
79.32040	1.3
81.03426	8.2
81.07059	25.9
83.01341	1.7
83.04984	11.5
83.08630	6.0
85.02908	78.5
85.06554	3.8
87.04459	2.8
91.05485	13.3
93.07060	10.0
95.04973	10.1
95.08612	18.1
97.02901	11.1
97.06520	4.0
97.10144	2.3
98.97595	6.0
99.04472	9.6
105.07034	23.2
107.04938	1.9
107.08602	17.0
109.02855	5.2
109.06523	18.0
109.10163	42.2
110.10515	1.4
111.04430	4.2
111.08086	2.3
113.06005	1.5
115.03947	1.5
117.07043	2.6
119.04959	1.4
119.08584	20.2
121.02873	7.1
121.06548	1.7
121.10157	20.6
123.08101	7.5
123.11713	100.0
125.05995	18.3
125.09631	3.2
127.03918	20.6
129.06982	1.6
130.07779	1.7
131.08568	6.2
133.10121	8.6
135.08075	5.2
137.06013	2.8
137.09595	1.4
139.07573	3.3
141.05453	1.6
143.01936	3.0
143.08566	1.4
145.04977	4.2
145.10136	9.4
147.08026	6.7
147.11699	32.9
149.09631	12.8
149.13284	2.4
151.07550	11.9
151.11188	9.4
153.09099	4.9
156.09369	3.7
158.24356	1.4
161.02946	1.5
161.13263	3.7
163.11153	2.9
163.14799	1.6
165.12750	7.3
167.07031	1.7
167.10686	3.9
167.14339	12.1
171.11707	3.3
173.13280	6.7
174.10460	2.0
189.01869	1.5
189.12755	22.6
191.03320	1.4
191.14371	8.5
195.02917	1.6
203.03571	2.5
207.02902	1.7
207.13808	65.1
208.14063	1.5
209.15379	24.8
217.05005	1.4
219.01740	2.3
225.14861	34.5
237.02834	1.4
249.14810	1.8
251.09050	3.7
271.06052	13.7
277.10687	2.1
281.07968	2.3
283.06021	2.0
287.05585	5.1
291.15839	1.7
294.05200	5.2
295.06003	19.3
296.06711	1.7
297.07507	2.1
305.10513	2.7
307.06052	11.7
307.14047	1.7
308.06796	3.5
309.07419	2.8
309.15292	1.8
313.07077	2.1
315.15845	1.7
321.07648	6.4
322.08362	2.9
325.07065	20.5
333.16980	41.8
335.09265	2.0
337.07138	12.1
347.09073	3.9
349.07147	5.6
351.08774	4.5
351.18033	79.1
355.08090	2.9
361.07233	3.0
363.08649	1.8
365.10324	3.3
369.19122	30.4
379.08163	13.4
387.20120	22.1
391.08572	6.4
403.08176	6.3
409.09229	12.2
409.17316	2.0
411.18652	5.7
412.18790	5.7
413.18524	5.6
414.18585	2.3
417.09930	1.9
417.15817	4.3
421.09290	6.0
427.10175	6.6
433.11392	3.2
439.10254	8.9
445.08887	1.6
457.11295	21.5
471.20535	2.3
472.21054	2.2
473.20682	2.2
475.12152	5.7
481.11063	5.0
499.12518	4.7
505.11270	1.8
511.12155	5.9
523.12445	8.0
529.13019	2.7
541.13391	5.8
559.14252	5.4
577.14673	2.7
595.19855	5.2
595.34253	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	595.1658
Annotation	Rhamnocitrin 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
51.39495	0.1
57.03442	0.2
58.40909	0.1
58.88098	0.1
60.55585	0.1
69.03418	0.4
70.06561	0.1
70.12126	0.5
85.02884	0.5
87.04492	0.3
97.02883	0.4
115.03957	0.2
132.99869	0.1
133.05043	0.3
153.01845	0.6
229.04877	0.3
258.05237	13.4
259.05759	0.2
271.06082	0.2
286.04718	33.9
287.04898	0.3
301.07056	100.0
302.07315	0.8
377.15631	0.1
463.12384	1.3
595.17151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59014	1.0
50.91997	0.9
53.03943	2.0
55.05299	1.0
55.05516	9.7
56.96563	1.0
57.03444	8.2
57.07076	1.3
61.02922	1.6
65.03947	1.2
67.05508	34.2
69.07065	7.6
71.05006	1.1
71.07386	1.2
73.69468	0.9
79.05493	20.9
81.03432	4.7
81.07061	32.6
83.08614	3.3
85.02905	2.6
86.09709	4.0
90.92609	0.9
91.05477	10.5
93.07048	21.3
95.04967	2.0
95.08613	23.0
97.06535	2.0
97.10190	1.2
98.20673	1.8
98.98473	17.8
99.04485	1.6
100.56533	1.1
104.10762	4.4
105.07045	6.9
107.08611	10.2
109.02891	3.8
109.06551	1.0
109.10160	9.5
117.07015	2.6
119.08592	4.6
121.10161	7.5
123.11697	1.9
125.00005	1.3
127.03932	1.1
129.52400	1.4
131.08589	2.6
133.10130	3.3
135.11661	4.5
138.52995	1.5
143.08595	1.0
145.10144	2.7
147.11656	2.3
149.13240	2.5
155.01047	4.2
159.11673	1.9
161.13258	1.7
163.05991	1.5
163.14790	1.2
171.11687	1.0
173.13321	1.7
184.07356	6.0
243.21101	1.7
248.58415	1.1
261.03662	3.1
261.22195	2.9
278.63974	2.2
335.07455	1.4
335.25806	100.0
353.01025	0.9
407.28238	0.9
439.74551	2.9
554.83398	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1656
Annotation	Vicenin 2
Peak:m/z	Relative Intensity
57.59048	2.2
65.03942	2.2
70.82609	2.9
70.82949	4.5
85.02879	6.3
91.05485	2.2
92.93301	2.0
96.65015	2.1
106.32089	2.1
107.04957	2.6
119.04958	8.7
121.02876	34.8
129.97678	2.3
131.00836	2.6
131.04910	2.9
135.10251	2.0
140.29759	2.4
145.02876	3.4
161.02548	2.3
163.03894	2.4
177.01727	3.8
178.68704	2.2
179.03404	2.8
187.03885	2.7
189.01860	12.0
191.03401	5.8
194.67831	2.1
195.02870	3.6
201.01855	3.8
201.05563	2.8
203.03383	9.7
205.04944	2.9
207.02890	8.3
213.05432	2.5
215.03410	4.8
217.04884	6.6
219.02934	7.0
221.04491	3.3
227.03477	3.1
229.04907	5.3
231.02870	4.3
233.04570	2.6
253.04857	2.5
267.06531	2.5
268.07321	6.0
279.06543	6.2
280.07416	3.5
281.08047	7.8
283.05936	8.3
284.06897	2.7
293.08029	3.3
294.05258	28.1
294.08420	3.9
295.06030	89.9
295.09341	4.9
296.06714	8.3
297.07498	7.9
307.06015	55.4
308.06854	16.7
309.07593	15.3
313.07117	6.7
319.06036	9.0
320.06842	6.9
321.07574	28.6
322.08276	10.3
323.09064	5.9
325.07068	100.0
333.07507	10.1
335.08990	16.7
336.06323	4.6
337.07050	69.2
337.11081	4.3
339.08536	3.2
345.07553	3.5
347.09158	17.1
349.03143	3.2
349.07101	40.5
351.08673	25.1
355.08282	18.9
361.06955	20.7
361.10812	2.9
363.08606	5.9
365.10205	11.7
367.07925	4.0
373.07019	6.1
375.08643	14.5
379.08142	49.4
382.28076	2.6
385.06860	4.2
387.08353	2.9
389.10004	2.6
391.08130	33.4
401.10715	3.0
403.08105	25.4
409.09198	43.4
415.08157	2.6
417.09427	4.9
421.09137	24.9
427.10330	34.5
431.11224	3.7
433.09302	4.4
439.10272	31.7
445.10580	7.1
446.47769	3.0
457.11334	99.7
463.09998	4.3
469.10010	2.4
475.12360	22.6
481.11359	24.7
493.11386	6.4
499.12277	25.3
505.11200	7.1
511.12347	30.3
523.12390	26.4
529.13452	13.0
541.13422	23.6
559.14478	31.3
577.15649	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	593.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62723	1.8
53.03945	4.0
55.01869	10.5
55.05516	17.4
57.03430	6.3
57.07068	7.8
61.02913	8.2
65.03957	2.5
67.05508	24.7
69.03433	26.1
69.06727	2.5
69.07068	23.7
69.44538	3.8
69.44941	11.2
71.01353	2.1
71.04972	6.3
71.08621	3.0
73.02908	5.6
79.05495	15.0
81.03423	20.7
81.07058	84.5
83.04997	2.8
83.08591	13.9
84.08119	2.8
85.02907	49.1
85.06539	37.0
86.09706	3.0
87.00819	17.2
91.03941	5.4
91.05470	11.1
93.07053	25.9
95.04974	8.7
95.08606	61.7
97.02911	15.8
97.06539	10.5
97.10181	10.4
98.03289	1.9
98.86094	1.9
98.97581	3.2
99.04456	8.8
99.08096	16.5
103.03941	2.3
104.10729	6.2
105.01867	13.2
105.07034	9.6
105.11090	2.4
106.02449	2.2
107.08589	25.5
109.02884	17.4
109.06522	4.1
109.10156	40.7
111.08083	49.4
111.11723	6.1
112.99052	2.0
113.09635	2.8
119.08572	9.6
120.08103	2.0
121.10153	15.8
123.08047	2.1
123.11708	24.6
125.09635	9.6
127.03925	30.5
127.11195	3.1
131.00134	2.4
131.08517	2.2
133.10120	7.9
135.11649	11.0
137.05981	2.6
137.09515	2.4
137.13257	11.6
139.11182	5.2
145.04979	13.6
145.10086	3.8
147.02835	2.7
147.11700	6.0
149.01303	2.1
149.13266	23.1
151.14841	4.7
155.14287	4.6
157.59465	1.8
159.02856	8.7
161.13252	5.8
163.14854	11.7
167.14307	3.4
177.16393	6.0
179.14375	2.4
181.15916	2.8
184.07376	3.8
189.03951	2.7
191.17938	3.4
201.16261	3.0
203.17975	3.1
205.19675	2.4
217.19485	2.6
227.20053	2.2
231.05000	6.1
250.09673	5.2
269.17480	4.4
273.25790	4.8
286.04764	3.6
291.23834	3.4
291.26773	20.3
301.07022	8.9
309.27869	100.0
328.19470	2.0
331.12164	5.8
331.62363	7.4
332.12442	2.4
348.64594	2.1
351.24756	1.9
383.66614	3.8
399.28915	5.4
413.12897	2.4
417.29871	2.8
495.74347	1.8
503.30356	2.8
521.31342	3.5
525.51007	2.2
557.33179	9.2
593.32721	4.6
593.44214	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	593.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21661	1.0
53.03941	4.6
54.30668	1.1
55.01872	2.7
55.05514	10.8
56.45868	1.2
56.96557	1.7
57.03439	8.3
57.07055	1.6
61.02929	6.3
64.08218	1.0
65.03939	1.4
67.05511	30.5
68.03809	1.0
69.03434	10.3
69.06795	1.1
69.07076	13.1
71.04976	3.6
72.25884	1.2
73.02905	4.5
79.05070	1.8
79.05496	25.2
81.03429	15.9
81.07064	45.1
83.04986	12.3
83.08627	9.0
85.02916	10.4
85.06548	3.8
86.09652	1.2
91.03968	5.2
91.05479	17.2
93.06477	2.2
93.07050	32.6
95.04977	5.8
95.08614	17.2
97.02905	10.5
97.06542	10.0
97.10121	1.5
98.20774	3.8
99.04453	3.6
99.08068	3.6
103.03929	1.3
104.10773	1.3
105.07036	11.6
107.04950	3.3
107.08608	18.1
109.02870	4.6
109.06496	3.0
109.10168	6.1
111.04446	3.3
111.08082	4.7
113.09653	1.2
117.07027	9.6
119.08607	5.9
121.06508	1.5
121.10148	7.9
121.42474	1.0
123.08068	1.7
123.11681	3.6
125.09618	1.8
127.03913	7.7
129.05476	3.5
129.06990	1.8
131.08594	7.9
133.06415	1.4
133.10144	11.6
135.08090	3.0
135.11653	6.0
137.05974	2.6
139.11218	1.5
143.08588	1.1
145.04936	3.9
145.10098	2.6
147.11697	5.2
149.09622	2.4
149.13271	16.6
151.11194	1.9
157.10172	1.4
159.11707	25.7
161.13271	6.1
163.05966	3.2
163.11232	1.5
165.12656	1.3
167.14386	1.2
171.11665	1.6
173.13272	1.2
177.12767	32.2
179.14325	16.7
184.07332	3.3
191.00185	1.5
195.13826	10.4
227.12737	1.9
233.15663	2.2
241.11070	2.1
251.16467	5.0
257.18970	1.7
259.12204	2.2
267.08975	1.5
267.16068	1.4
267.59341	1.0
269.17502	100.0
275.17130	1.2
275.20068	7.9
279.18942	1.0
285.09998	2.5
291.26807	1.3
297.16956	1.6
302.17429	2.7
321.16690	1.2
325.11865	1.4
339.17877	3.1
347.15247	1.2
349.23657	8.5
365.16449	2.8
367.24817	2.2
377.19592	3.1
383.17435	1.6
395.20593	2.3
413.21799	13.0
462.29492	1.1
495.22391	3.9
531.31708	1.4
575.25513	1.7
575.34430	1.9
593.30042	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	593.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
53.96785	1.2
55.01860	3.6
55.05510	11.3
57.02560	1.3
57.03437	10.1
57.07084	1.7
61.02925	7.4
67.05506	31.3
69.03429	10.0
69.07065	14.5
69.53315	9.3
71.05009	2.6
73.02902	4.4
79.05492	17.6
81.03425	13.7
81.07054	42.2
83.04985	9.0
83.08608	6.6
85.02895	14.7
85.06568	1.8
86.09708	1.9
91.03956	6.0
91.05466	15.0
93.07045	33.8
93.07633	1.8
95.04966	4.4
95.08610	14.4
97.02891	11.8
97.06515	10.5
97.10148	1.9
99.04456	5.5
99.08080	3.0
103.03907	1.2
105.07024	11.0
107.04955	3.3
107.08590	17.0
109.02857	4.1
109.06541	3.6
109.10156	6.3
111.04415	3.5
111.08086	3.8
117.07018	5.6
119.08589	6.2
121.10136	10.3
123.11720	3.8
125.09659	1.6
127.03909	7.8
129.05499	3.8
129.06999	2.5
131.08589	5.4
133.10118	6.8
135.08084	2.1
135.11673	7.8
145.04971	2.9
145.10132	3.6
147.11693	3.1
148.83366	1.3
149.09628	2.6
149.13254	15.6
159.11696	18.9
161.13226	1.9
165.12851	1.7
173.13336	1.6
177.12758	20.5
179.14330	8.2
184.07352	3.2
195.13774	12.9
213.14812	2.0
217.00798	1.3
219.13831	1.3
239.17863	1.5
251.16409	4.8
257.19006	2.2
269.17468	100.0
274.08038	1.4
275.20010	9.1
291.26794	2.0
302.17639	1.7
339.17960	2.4
349.23795	7.6
367.24957	1.7
377.19626	2.2
395.20715	3.7
413.21655	15.2
431.13361	1.7
431.22797	1.6
473.51340	1.3
531.30945	2.0
575.25885	2.3
575.34106	3.4
593.32294	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	593.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36531	0.2
55.05490	0.2
57.75629	0.1
59.06097	0.3
67.05480	0.1
69.89458	0.7
83.08585	0.2
95.08594	0.3
98.21415	0.2
99.38038	0.1
125.54888	0.2
148.18251	0.2
202.16594	0.2
210.11333	0.2
223.12152	0.2
237.13968	0.3
268.32016	0.2
293.93176	0.2
326.16455	0.2
342.23541	0.2
387.16068	0.4
388.16824	0.4
389.17642	0.8
390.18808	0.3
391.19110	0.4
399.16309	0.2
401.17334	0.4
402.18454	0.7
403.14572	0.3
403.19238	2.7
404.20032	0.9
405.20764	1.2
406.21567	0.2
415.19266	0.5
416.15515	0.3
416.20056	0.7
417.16675	0.7
417.21350	3.6
418.21933	1.9
419.22369	3.1
420.23019	0.3
421.24084	0.2
430.17059	0.9
431.18137	7.5
432.18610	2.1
432.24164	0.5
433.24142	7.4
434.24701	1.4
444.18939	0.4
445.20007	9.7
446.20758	4.3
447.21616	4.9
449.23502	0.2
457.20178	0.2
459.21448	3.5
460.22565	11.9
461.23254	11.0
462.20041	0.4
462.24429	0.2
463.21265	0.2
471.21786	0.2
473.23645	2.6
474.24149	0.6
475.21036	0.3
476.26157	1.2
477.21375	0.3
477.26648	0.8
478.23849	0.2
487.25238	1.1
488.25879	0.2
489.27176	0.8
491.24307	0.7
492.25330	1.1
505.21857	4.6
515.24506	0.5
518.23157	0.6
519.23584	0.7
533.25482	42.3
534.25983	0.8
547.27325	0.3
561.24915	0.4
564.23608	0.7
565.28040	0.8
578.26495	0.2
593.27557	100.0
594.27747	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2759
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
55.14928	0.1
70.51489	0.2
70.51839	0.2
74.27921	0.1
95.20698	0.1
98.20845	0.1
111.17193	0.1
177.95961	0.1
209.10684	0.2
211.12384	0.1
223.12184	0.2
233.10840	0.1
235.12241	0.1
298.13080	0.1
300.15070	0.1
310.13605	0.1
326.16504	0.2
386.17178	0.2
387.16171	0.3
388.16989	0.4
389.17670	1.0
390.18552	0.4
391.19623	0.2
401.17795	0.3
402.18341	0.7
403.19238	2.8
404.20032	1.3
405.20731	1.5
406.21469	0.2
414.19534	0.1
415.19391	0.4
416.15591	0.3
416.20889	0.6
417.16525	0.9
417.21463	3.0
418.21878	1.4
419.22382	3.9
420.23080	0.3
421.23816	0.2
429.16443	0.3
429.21423	0.2
430.17120	0.9
430.22852	0.2
431.18274	7.7
432.18610	1.9
432.24118	0.5
433.24237	5.5
434.24890	1.2
443.18323	0.2
444.19351	0.5
444.23947	0.2
445.19995	8.8
446.20840	4.3
447.21786	5.2
448.22696	0.3
449.23212	0.5
459.21664	3.3
460.22562	10.1
461.23303	8.3
462.19455	0.2
462.24173	0.3
463.21280	0.4
473.23822	2.2
474.24500	0.5
476.26227	0.9
477.21866	0.6
487.25256	1.0
488.26059	0.1
489.26141	0.6
491.24213	0.8
492.25281	1.2
499.25076	0.2
504.21658	0.2
504.24084	0.2
505.22018	5.9
515.24554	0.4
517.26105	0.2
518.23047	0.5
519.23663	0.9
533.25494	30.4
534.26172	0.7
547.27057	0.3
561.24945	0.5
564.23590	0.8
565.28461	0.8
575.26624	0.2
593.27563	100.0
594.27875	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.01876	14.7
55.05511	24.3
56.96558	2.6
57.03443	10.3
61.02914	4.8
61.94396	1.5
65.03922	3.3
67.05180	3.1
67.05507	42.6
67.05869	2.2
68.31508	1.5
69.03429	17.6
69.07066	25.1
71.04980	6.5
71.08630	2.7
71.57094	2.1
73.02917	12.5
77.03845	1.5
79.05492	41.6
81.03427	20.3
81.07056	71.4
83.05005	10.2
83.08614	14.7
85.02903	19.8
85.06550	5.6
86.09705	2.8
87.04419	1.7
91.03948	3.1
91.05467	38.4
93.07044	38.9
95.04966	10.9
95.08605	36.5
96.10858	1.6
97.02885	9.5
97.06530	21.4
97.10171	9.7
98.98445	4.0
99.04462	9.0
99.08078	4.7
104.10728	4.0
105.07030	45.4
107.04959	11.4
107.08598	35.5
109.02885	19.9
109.06511	10.7
109.10154	20.1
109.22740	1.5
110.03645	4.8
111.04444	16.2
111.08090	5.0
117.07017	14.5
119.08578	31.7
121.06496	4.9
121.10155	20.8
123.04463	2.2
123.08059	7.0
123.11704	7.5
125.09624	9.5
127.03933	11.1
129.07022	5.3
131.00175	1.8
131.08568	21.7
132.99538	5.7
133.06551	2.2
133.10132	26.5
135.08081	9.3
135.11681	15.0
137.05981	4.5
137.09621	3.2
139.11171	2.8
141.07033	1.7
143.08549	6.0
145.06454	3.0
145.10121	23.9
147.08083	2.4
147.11694	21.1
149.09608	17.8
149.13260	9.3
151.00513	2.3
151.11153	5.8
153.09096	3.7
155.01070	2.5
155.08530	2.5
157.10132	6.8
159.08092	2.8
159.11685	13.7
161.09578	3.5
161.13261	6.9
163.11214	13.4
165.12740	4.7
169.10103	5.0
171.10291	2.4
171.11679	7.4
173.09691	2.5
173.11823	2.9
173.13260	9.5
175.11183	2.8
175.14809	3.1
177.12778	5.4
179.14316	4.3
181.10306	1.5
183.11601	2.9
184.07353	6.9
185.13284	3.6
187.11270	2.9
187.14775	1.9
189.11227	7.0
191.00108	7.8
193.12302	3.1
195.13791	5.2
197.13275	1.9
213.16603	2.2
227.12820	12.7
229.14272	2.7
229.19490	3.4
235.16968	2.3
239.17981	10.0
241.19601	2.0
245.13802	6.0
247.20645	8.0
257.19016	21.5
259.20474	3.8
263.19955	3.3
267.16006	1.9
269.17468	5.2
275.20068	100.0
277.21643	4.3
285.17239	2.2
293.13324	2.5
293.21112	13.0
302.17508	6.2
311.22098	4.4
331.22696	3.2
333.24350	5.9
349.23734	91.3
351.25067	9.1
364.22070	2.1
367.24695	24.5
396.24615	3.7
468.26587	1.8
495.18680	6.2
575.24951	20.3
575.33270	3.7
593.24969	18.4
593.34515	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	593.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.01876	14.7
55.05511	24.3
56.96558	2.6
57.03443	10.3
61.02914	4.8
61.94396	1.5
65.03922	3.3
67.05180	3.1
67.05507	42.6
67.05869	2.2
68.31508	1.5
69.03429	17.6
69.07066	25.1
71.04980	6.5
71.08630	2.7
71.57094	2.1
73.02917	12.5
77.03845	1.5
79.05492	41.6
81.03427	20.3
81.07056	71.4
83.05005	10.2
83.08614	14.7
85.02903	19.8
85.06550	5.6
86.09705	2.8
87.04419	1.7
91.03948	3.1
91.05467	38.4
93.07044	38.9
95.04966	10.9
95.08605	36.5
96.10858	1.6
97.02885	9.5
97.06530	21.4
97.10171	9.7
98.98445	4.0
99.04462	9.0
99.08078	4.7
104.10728	4.0
105.07030	45.4
107.04959	11.4
107.08598	35.5
109.02885	19.9
109.06511	10.7
109.10154	20.1
109.22740	1.5
110.03645	4.8
111.04444	16.2
111.08090	5.0
117.07017	14.5
119.08578	31.7
121.06496	4.9
121.10155	20.8
123.04463	2.2
123.08059	7.0
123.11704	7.5
125.09624	9.5
127.03933	11.1
129.07022	5.3
131.00175	1.8
131.08568	21.7
132.99538	5.7
133.06551	2.2
133.10132	26.5
135.08081	9.3
135.11681	15.0
137.05981	4.5
137.09621	3.2
139.11171	2.8
141.07033	1.7
143.08549	6.0
145.06454	3.0
145.10121	23.9
147.08083	2.4
147.11694	21.1
149.09608	17.8
149.13260	9.3
151.00513	2.3
151.11153	5.8
153.09096	3.7
155.01070	2.5
155.08530	2.5
157.10132	6.8
159.08092	2.8
159.11685	13.7
161.09578	3.5
161.13261	6.9
163.11214	13.4
165.12740	4.7
169.10103	5.0
171.10291	2.4
171.11679	7.4
173.09691	2.5
173.11823	2.9
173.13260	9.5
175.11183	2.8
175.14809	3.1
177.12778	5.4
179.14316	4.3
181.10306	1.5
183.11601	2.9
184.07353	6.9
185.13284	3.6
187.11270	2.9
187.14775	1.9
189.11227	7.0
191.00108	7.8
193.12302	3.1
195.13791	5.2
197.13275	1.9
213.16603	2.2
227.12820	12.7
229.14272	2.7
229.19490	3.4
235.16968	2.3
239.17981	10.0
241.19601	2.0
245.13802	6.0
247.20645	8.0
257.19016	21.5
259.20474	3.8
263.19955	3.3
267.16006	1.9
269.17468	5.2
275.20068	100.0
277.21643	4.3
285.17239	2.2
293.13324	2.5
293.21112	13.0
302.17508	6.2
311.22098	4.4
331.22696	3.2
333.24350	5.9
349.23734	91.3
351.25067	9.1
364.22070	2.1
367.24695	24.5
396.24615	3.7
468.26587	1.8
495.18680	6.2
575.24951	20.3
575.33270	3.7
593.24969	18.4
593.34515	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	591.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80915	2.1
53.03936	6.8
55.01867	6.8
55.05519	17.1
57.03447	5.5
57.07065	9.8
59.66977	2.1
59.79223	2.0
60.82080	2.2
61.02933	5.0
65.03946	2.9
67.05508	37.5
69.03430	21.7
69.07068	35.8
69.99024	10.0
71.04998	5.3
71.08640	4.4
73.02897	2.9
79.05493	21.7
79.21823	2.7
81.03432	25.8
81.07059	74.7
83.04975	13.2
83.08630	20.3
85.02911	45.4
85.06531	11.8
85.10151	3.1
86.09682	3.5
87.00829	20.3
91.05476	18.1
91.62667	2.3
93.07047	38.1
95.04977	100.0
95.08611	61.8
97.02888	19.3
97.06527	14.9
97.10189	6.7
98.97576	4.0
99.04455	6.0
99.08107	5.6
105.01861	9.3
105.07037	32.6
107.05001	3.5
107.08598	30.6
109.02905	12.4
109.06507	13.9
109.10167	35.7
111.04455	4.0
111.08084	4.9
111.11749	3.2
113.06033	4.1
115.03997	2.6
117.07024	5.4
119.08593	22.8
121.06514	4.8
121.10150	25.7
123.11750	19.8
123.12535	3.5
125.09642	5.9
127.03928	21.1
127.11208	4.7
131.08577	10.1
133.06549	3.0
133.10133	17.8
135.08105	12.6
135.11667	15.4
137.05971	5.5
137.09612	4.3
137.13268	8.5
143.08583	3.1
145.04939	5.4
145.10152	13.5
147.02991	2.9
147.11716	15.8
149.09605	6.9
149.13240	12.4
150.21127	3.0
151.03934	5.8
151.11099	3.5
159.02853	3.3
159.11646	13.1
161.13300	15.3
163.03909	2.9
163.11282	3.7
163.14856	10.2
165.12743	5.5
167.14180	2.5
173.13258	7.2
175.14848	6.8
177.16417	5.3
187.14850	5.8
189.16483	4.9
192.00084	2.2
203.17969	2.9
215.17906	4.6
219.21043	3.0
229.10359	2.4
231.04993	3.7
231.21077	3.5
271.24207	8.2
277.25223	4.9
289.25177	33.6
295.26486	4.5
307.26294	69.5
325.27332	12.0
331.26489	5.0
349.27341	5.6
355.15137	5.1
397.27191	6.9
415.28555	3.9
429.19116	4.1
481.27847	2.4
501.28534	3.4
519.29150	3.0
591.24005	5.5
591.33398	6.6
601.35284	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	591.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01880	0.5
55.05512	0.9
56.96566	17.2
57.03429	0.4
67.05496	1.9
69.07073	2.3
69.99171	0.7
69.99576	1.5
70.98116	1.6
71.95267	2.4
72.96057	1.1
79.05492	4.6
81.03416	0.8
81.07056	2.7
83.04999	0.5
84.96027	0.9
85.02928	0.6
91.05479	2.6
93.07048	1.7
95.04966	0.8
95.08607	1.2
97.02873	0.5
97.06524	1.5
97.96815	0.6
98.06889	0.6
98.20816	0.4
98.97579	1.6
103.00665	0.4
105.07026	2.0
107.04922	0.7
107.08595	2.1
109.06543	0.6
109.10132	0.6
110.97581	3.9
112.99198	0.4
115.00683	0.8
116.98592	0.7
117.07039	0.4
119.08581	1.3
121.10091	0.8
123.01187	0.5
127.00686	0.6
128.98624	4.8
129.07024	0.7
131.08551	1.5
133.10135	1.3
137.06053	0.6
139.00674	0.5
141.02214	0.9
143.00134	0.9
145.01741	0.4
145.10165	0.6
146.99651	1.8
147.03305	0.6
147.11688	0.8
149.01186	0.5
149.09648	0.6
151.00636	1.0
152.00134	0.5
153.02235	1.5
155.03783	1.6
157.01773	0.6
159.08023	0.7
161.01242	0.9
165.02251	0.4
167.03722	0.4
169.01686	1.1
169.05405	0.9
171.03326	1.9
173.04828	1.4
175.02771	0.6
177.02156	0.4
177.09189	0.5
177.12756	0.6
179.00110	0.5
181.05351	1.0
182.56490	0.4
183.03297	0.7
184.04109	0.5
184.07501	0.4
185.04808	3.3
187.02808	0.5
187.06442	1.0
189.04347	1.4
191.05901	0.7
193.03812	0.5
193.05399	0.7
193.12206	0.4
195.06909	0.8
197.04913	0.7
197.08453	0.5
199.06400	5.0
201.07913	0.8
203.05881	1.9
205.01773	1.1
205.05566	0.6
205.07460	3.0
207.03297	0.5
209.04893	0.5
210.01968	0.5
211.06433	0.9
213.08018	1.8
217.05528	0.7
217.07446	4.4
219.08980	0.6
221.08482	0.7
222.07915	0.6
223.02812	2.1
223.06493	0.7
223.08319	0.8
223.10255	1.0
225.04344	0.9
225.07901	1.9
227.05888	1.5
227.09479	0.9
229.07332	2.6
231.09016	1.5
235.06541	0.5
237.04356	1.3
237.08003	2.2
237.10139	0.4
239.05931	1.0
239.09438	1.9
241.03856	0.8
241.07478	1.2
241.11145	1.3
243.09038	7.2
251.09566	1.7
253.07385	0.5
253.11053	1.5
255.09074	8.0
257.10638	1.4
259.09998	0.8
261.07791	0.7
261.10178	2.3
262.08884	1.3
263.09644	0.8
265.11206	1.0
266.10547	0.7
268.09869	0.8
269.10675	1.6
273.10028	2.2
273.18719	0.7
275.20154	0.9
277.08102	0.4
277.11075	2.6
278.10699	1.0
279.09055	2.4
279.12094	0.4
280.09836	5.5
281.10529	2.2
291.12762	0.4
295.12219	1.0
297.10135	1.0
298.10873	1.1
299.11823	2.3
303.16272	1.0
313.14740	1.0
318.16937	0.5
319.15948	0.7
321.17487	1.0
329.14191	0.8
331.15781	46.7
344.18741	0.5
349.16861	100.0
350.17245	0.7
367.17926	40.9
372.18478	9.0
390.19507	11.3
391.19522	0.5
529.33380	0.5
573.30969	1.8
591.31946	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	587.3042
Annotation	Gln His Phe Arg
Peak:m/z	Relative Intensity
53.03928	0.3
55.05505	0.4
57.03431	0.4
61.02919	0.5
62.08059	0.2
67.05493	0.9
68.05066	0.2
68.91332	0.2
69.03432	0.8
69.07062	0.3
69.92375	1.2
70.03689	0.2
70.06619	0.2
70.45354	0.2
71.66007	0.2
79.05478	1.1
81.03418	1.1
81.07062	0.9
85.02906	1.4
91.03968	0.3
91.05471	1.1
93.07043	1.2
95.04977	0.4
95.08629	0.7
97.02908	0.5
97.06502	0.3
97.10167	0.2
99.04476	0.4
105.07027	0.7
107.08605	0.4
109.02897	0.3
110.00659	0.2
117.07004	0.5
119.08576	0.5
121.10161	0.4
125.49151	0.2
127.03949	0.6
131.08566	0.4
133.03505	0.3
143.08641	0.2
147.11725	0.5
157.04761	0.3
171.11760	0.3
173.13237	0.2
174.98254	0.3
185.04242	1.0
201.03767	0.5
259.07925	0.3
281.17490	0.4
287.16461	0.3
303.23431	0.3
331.10013	0.8
361.19983	0.3
371.16681	0.2
376.14771	3.7
396.15591	0.4
425.25317	2.5
428.72382	0.3
431.18951	1.1
489.23364	0.3
517.22656	1.1
522.69427	0.3
523.21545	3.6
524.22449	0.3
569.27936	0.4
587.22430	4.4
587.30365	100.0
588.31348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
55.05508	0.7
56.05036	0.6
58.06629	0.5
60.08168	6.5
61.02921	0.2
67.05495	0.9
68.05839	0.1
69.03429	0.3
69.07066	0.6
71.07381	3.2
71.08641	0.3
71.56618	0.3
79.05505	1.0
81.03417	0.3
81.07053	1.0
83.08610	0.6
85.02897	0.3
86.09711	30.7
91.03944	0.2
91.05499	0.7
92.05820	0.2
93.07067	1.0
95.04990	0.2
95.08605	0.8
97.02905	0.2
97.06532	0.5
97.10196	0.3
98.98473	3.2
104.10756	3.9
105.07047	1.0
107.08593	0.6
108.10706	0.2
109.06517	0.3
109.10160	0.7
110.08438	0.1
119.08586	0.7
121.10127	0.3
121.37442	0.2
123.08037	0.3
125.00014	21.8
125.09661	0.3
129.06993	0.2
131.08592	0.2
133.10104	0.4
135.11763	0.2
137.44917	0.2
143.01096	0.2
145.10109	0.3
146.10432	0.2
147.11702	0.4
149.09708	0.2
155.66679	0.1
156.69218	0.1
179.14278	0.3
184.07350	100.0
189.11232	0.2
229.07422	0.2
258.11084	0.2
275.20099	0.4
276.20416	0.2
360.85770	0.2
431.70813	0.3
432.70703	0.2
459.09149	0.2
465.26880	0.2
552.40881	0.2
570.35352	1.4
570.42847	0.3
588.36487	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	585.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27828	2.3
53.03936	8.3
54.78626	2.0
55.01880	15.6
55.05264	3.9
55.05512	50.1
57.07061	7.2
58.73829	2.4
67.05505	77.9
69.03413	3.7
69.07064	33.8
71.04974	4.6
71.08616	6.4
71.56573	4.0
79.05069	3.8
79.05494	51.5
81.03384	3.6
81.07059	100.0
83.04961	8.2
83.08625	26.9
85.06526	7.3
91.05486	52.7
93.07043	62.4
95.04955	7.7
95.08605	64.6
97.06541	16.7
97.10177	12.9
99.08085	4.5
103.05485	3.0
105.07032	60.7
107.04903	3.2
107.08604	36.5
109.06501	10.9
109.10161	25.3
111.52322	2.4
115.05473	2.6
117.07034	19.7
117.66740	2.4
119.08578	50.6
121.06527	4.0
121.10133	28.4
123.08041	5.7
123.11729	13.3
125.09599	7.9
129.06992	14.7
131.08557	34.9
133.06554	4.7
133.10139	36.7
135.08000	6.3
135.11649	14.5
137.09628	4.8
137.13255	3.9
141.06979	3.7
142.07759	6.1
143.08585	16.4
145.10139	30.8
147.08052	4.8
147.11691	35.5
149.09604	8.1
149.13255	9.1
151.11223	4.1
155.08527	10.6
157.10115	18.8
159.08057	3.4
159.11713	22.2
161.13255	14.3
163.11215	4.4
163.14836	4.6
165.12740	15.6
167.08476	3.7
169.10135	10.4
170.10977	3.1
171.11681	15.2
173.13290	13.0
175.11270	2.9
175.14853	6.7
177.12767	4.1
181.10106	5.6
183.11673	9.1
185.13228	12.4
187.14795	11.7
189.16365	4.4
193.10170	2.9
195.11641	2.6
195.13844	2.8
195.65302	2.5
197.13223	10.8
197.15419	3.4
199.14896	12.7
201.16383	5.7
203.18039	3.9
207.13802	3.3
209.13239	4.1
211.14819	5.6
213.16382	5.6
221.13205	3.6
221.15363	4.0
223.14835	4.7
225.16344	4.2
227.18027	5.2
239.17859	3.9
243.21149	5.8
249.18594	3.8
261.22098	7.5
263.20151	2.7
275.20215	14.2
277.21487	9.0
279.23254	4.2
289.21823	5.7
291.23224	6.1
303.23175	9.7
304.06976	3.1
305.24545	3.3
306.27902	5.2
307.22641	6.8
331.26117	4.0
345.27823	2.9
352.87015	2.7
359.29449	4.2
369.27914	2.6
423.32535	3.7
457.36694	6.4
473.36337	27.6
487.38129	4.4
517.40259	7.4
535.41406	13.6
549.42542	4.3
553.42474	13.5
567.44141	56.3
585.45264	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.0
55.01864	5.1
55.05510	27.8
57.03418	3.8
65.03936	3.8
65.78841	1.3
67.05506	51.6
67.73587	1.2
69.03418	2.7
69.07071	18.2
71.04984	4.1
71.56937	1.4
71.57317	1.8
74.64991	1.4
79.05493	41.0
81.03421	2.6
81.07059	65.4
83.04974	6.0
83.08626	16.1
85.06531	3.9
87.08826	1.3
91.05482	51.1
93.07043	42.8
95.04952	7.3
95.08607	38.8
97.06525	6.9
97.10171	9.5
99.04498	1.4
99.08106	2.1
103.05460	3.1
105.04523	2.2
105.07034	56.1
107.04942	5.5
107.08598	32.9
109.06531	6.3
109.10164	24.6
111.08051	5.3
111.68368	1.4
115.05394	1.4
117.07019	18.7
119.08588	49.5
121.06503	4.2
121.10159	14.9
123.08072	4.2
123.11691	7.2
125.09627	7.9
128.06238	1.9
129.07039	9.1
130.07791	1.5
131.08568	24.6
133.06494	3.2
133.10132	43.8
135.08072	7.6
135.11688	9.3
137.09599	4.8
141.07004	4.6
142.07797	2.9
143.08548	11.1
144.09261	1.4
145.06468	1.6
145.09044	2.3
145.10133	26.6
147.08015	4.7
147.11684	22.4
149.09641	7.6
149.13251	3.7
151.11151	2.5
155.08559	6.4
157.10097	11.2
159.08072	2.3
159.11699	17.3
161.09612	3.8
161.13237	7.0
163.11195	4.5
163.14699	1.5
167.08612	2.2
169.10103	6.4
171.11681	13.6
173.09615	1.6
173.13269	10.1
175.11182	2.7
175.14836	2.4
177.12779	2.0
181.10088	2.1
183.11662	7.0
184.07332	1.8
185.13260	4.3
187.11224	2.1
187.14760	2.3
189.11183	5.1
189.12723	2.2
193.12289	1.8
195.11694	1.9
197.13220	3.2
199.14867	3.7
201.12750	1.5
201.16492	1.5
203.14252	1.4
207.13794	1.6
209.13316	2.6
211.14926	2.3
213.16432	3.5
215.14171	1.6
215.18007	1.7
223.14952	1.7
229.19521	2.7
235.17010	1.7
237.16370	1.6
239.17963	5.9
247.20634	1.7
251.20116	1.7
256.08289	1.5
257.19016	7.7
263.20114	3.5
265.21677	2.0
267.08984	1.6
273.18494	3.0
275.20074	100.0
277.21664	2.4
291.19467	3.3
293.21075	10.9
303.19556	1.7
313.21524	1.7
315.22955	1.9
329.24591	1.8
331.26370	1.7
354.00485	1.2
355.26291	2.4
360.91342	1.4
373.27521	3.1
469.33252	2.0
509.36179	1.8
531.38422	2.9
539.40942	5.2
549.39227	6.1
567.40668	11.8
585.34906	2.1
585.41962	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	585.415
Annotation	Ma'eganedin A
Peak:m/z	Relative Intensity
50.59804	1.6
50.98683	1.5
52.42440	1.5
53.03945	5.8
55.01625	2.1
55.01877	22.5
55.05513	68.5
57.03436	3.0
57.07084	3.2
59.04995	2.0
67.05508	67.6
69.03432	7.4
69.07072	50.0
69.68737	1.5
70.95947	4.3
71.04987	6.2
71.08674	1.4
72.07097	1.3
77.03922	2.2
79.05496	67.5
81.03431	5.0
81.07063	67.5
82.29352	1.3
82.75169	1.6
83.04977	9.9
83.08623	34.5
85.06554	4.7
86.85087	1.5
91.05485	58.7
93.07046	54.2
95.04974	10.0
95.08613	51.5
95.09233	1.8
97.06535	20.3
97.10181	46.4
99.08099	2.0
101.06041	1.8
103.05482	2.2
105.04520	2.9
105.07037	58.2
107.04965	9.1
107.08601	52.3
107.09298	3.1
109.06532	8.7
109.10165	27.2
111.04362	1.7
111.08107	6.5
115.05456	3.2
117.07024	27.9
119.08587	48.4
121.06508	6.0
121.10146	21.9
123.08121	6.0
123.11716	5.9
125.09636	33.0
125.10538	1.7
128.06221	2.7
129.07018	13.7
130.07761	2.8
131.05013	1.9
131.08566	33.0
133.06509	4.5
133.10144	44.8
135.08044	7.6
135.11720	11.2
137.09637	4.6
139.11240	2.2
141.07008	8.0
142.07779	4.2
143.08569	17.3
145.06503	5.1
145.10124	33.5
147.08070	4.8
147.11710	19.3
149.09633	18.6
149.13312	5.6
151.11212	3.0
153.09116	4.0
153.12886	1.6
155.08574	11.8
156.09378	2.6
157.10133	18.4
159.08072	3.6
159.11682	19.9
161.09639	3.4
161.13261	8.6
163.11174	9.1
167.08604	4.8
168.09413	2.0
169.10114	13.6
171.08098	3.4
171.10298	3.6
171.11661	15.4
173.13243	10.8
175.11220	4.4
175.14865	3.5
177.12750	3.8
178.14874	1.7
179.08781	2.1
179.14299	3.1
181.10182	7.4
181.12189	2.1
183.11711	14.9
185.09697	2.8
185.13313	9.3
187.11226	5.9
187.14830	3.9
189.11229	20.0
189.12749	2.8
195.11751	6.4
195.13617	1.5
197.13290	11.5
199.11241	4.6
199.14845	4.8
201.12724	2.7
201.16458	2.3
202.54021	1.7
209.13321	6.3
211.14920	4.5
213.12848	3.4
213.16356	7.9
215.14406	3.6
215.18071	2.3
219.11707	2.1
221.13387	2.8
223.13120	2.6
223.14987	2.8
225.16354	3.8
227.17851	2.5
229.16049	2.3
229.19571	3.9
233.15492	2.3
235.17081	2.8
239.17999	5.9
241.19542	3.0
247.17058	1.7
247.20679	4.2
251.18004	1.9
253.19679	2.6
255.17654	2.9
257.19025	10.0
259.20621	1.9
261.18796	1.7
271.20703	2.0
273.18600	5.7
275.20078	100.0
277.21820	5.2
283.17218	1.6
285.18661	1.9
285.22028	2.9
287.20117	5.5
289.21701	4.0
291.19495	12.8
293.21152	17.0
299.19989	2.7
301.21869	2.4
303.19711	2.4
311.19873	2.4
315.23206	2.1
325.21790	2.2
339.22937	1.7
351.23193	1.9
355.22479	2.3
363.26852	2.2
379.30325	2.6
381.27927	16.8
383.29498	4.8
395.29590	3.3
397.31152	7.0
399.29010	12.9
413.30716	4.8
419.29697	2.8
437.30731	3.1
455.31635	10.3
457.33163	2.9
459.31335	1.7
469.33514	2.8
471.34937	5.0
473.32465	9.3
479.31558	2.2
485.32767	2.5
487.34134	2.4
497.32901	2.6
513.37012	4.4
527.37744	1.7
531.38489	7.3
549.39520	15.5
567.40430	44.7
585.41608	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	585.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	1.3
61.02901	0.5
61.83546	0.4
71.01046	0.9
74.83696	0.4
93.06966	0.4
98.97581	1.6
109.10176	0.8
110.97556	0.4
112.99131	2.2
116.98665	0.6
124.99137	0.6
129.49074	0.5
131.00148	2.2
143.00168	0.9
149.01239	1.9
177.00729	0.4
184.07303	0.7
229.07469	0.5
229.67485	0.4
239.09726	0.4
251.10005	0.4
251.12704	0.4
269.10712	1.9
293.05557	2.3
311.06497	0.5
331.15857	1.7
349.16922	4.0
367.18011	1.7
405.02557	0.5
487.19031	0.5
567.25085	1.1
585.26721	100.0
586.27124	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
54.79398	0.7
55.01870	4.8
55.05263	1.3
55.05514	19.4
57.03436	0.9
57.07061	1.2
65.03931	1.6
67.05507	22.0
69.03429	2.2
69.07071	12.8
69.18687	2.8
69.19107	5.7
71.04987	3.4
71.76863	0.7
73.06927	0.7
79.05495	19.4
81.03430	5.4
81.07060	27.9
82.07360	0.9
83.04994	5.6
83.08141	1.4
83.08620	19.4
83.09105	1.2
85.02888	1.1
85.06544	2.2
89.06038	1.9
91.05484	23.2
93.07049	24.5
94.07370	1.0
95.04974	19.2
95.08612	18.9
97.06544	5.2
97.10155	4.2
103.05450	1.1
105.07033	27.0
107.04956	11.1
107.08604	17.0
108.08881	0.8
109.06530	7.9
109.10168	8.8
110.26949	0.8
111.08089	4.8
115.05460	1.1
115.88110	0.8
117.07029	10.9
118.99352	0.8
119.08587	22.4
120.08913	1.3
121.06528	7.0
121.10152	14.3
121.72324	0.8
123.08074	5.5
123.11707	2.3
125.09641	4.3
128.06252	0.8
129.07019	4.1
130.07793	1.6
131.08569	13.9
133.06503	2.2
133.08621	1.6
133.10130	18.1
134.10521	0.9
135.08047	4.7
135.11690	6.8
137.09648	3.8
139.11209	0.9
139.63455	0.8
141.07004	2.0
142.07776	2.0
143.08566	5.9
144.09219	0.9
145.06506	1.9
145.10133	22.7
146.10454	0.9
147.08049	2.7
147.11693	11.3
149.09616	15.4
149.13235	2.2
151.11176	3.7
153.09081	1.2
155.08530	4.1
156.09286	0.8
157.10167	6.8
158.10638	1.0
159.08076	1.6
159.11714	9.5
161.09630	3.0
161.13283	2.8
163.11186	19.1
163.14731	0.9
165.12790	2.7
167.10710	1.0
169.10185	3.2
171.11696	6.1
172.12106	1.2
173.09608	3.8
173.13242	5.7
175.11205	2.3
175.14845	2.2
177.12827	1.9
179.14302	0.9
183.11633	4.4
185.13283	2.2
187.11172	1.8
187.14819	1.1
189.11256	1.4
189.12744	1.2
191.10672	1.1
191.14307	2.2
193.10097	1.2
197.13297	2.6
201.12747	1.8
201.16437	0.9
203.14394	1.0
205.12328	1.2
207.11758	1.1
207.13832	0.8
209.13321	1.3
211.14874	1.1
213.16426	1.2
215.14381	1.3
215.17909	0.8
219.13823	2.5
221.13345	0.9
221.15405	1.6
223.13237	12.2
229.19615	2.9
239.17987	4.8
247.16954	1.0
247.20557	3.0
257.19009	13.3
275.20068	100.0
276.20462	0.9
293.21118	63.8
352.24176	1.0
567.40234	1.4
585.27625	4.9
585.42609	4.1
585.56360	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2674
Annotation	kirkinine D
Peak:m/z	Relative Intensity
50.86793	0.4
56.96556	1.6
57.70634	0.4
60.20712	0.4
61.02917	0.5
61.31614	0.4
70.73722	1.1
70.75208	0.4
79.05502	0.4
81.07029	0.7
86.47959	0.3
98.97568	1.5
112.99137	1.2
128.68910	0.5
131.00175	1.9
143.50208	0.4
149.01208	1.8
158.99648	0.5
177.00746	0.5
184.07385	0.7
191.02274	0.4
251.09714	0.6
255.09137	0.5
260.14789	0.4
262.01788	0.4
267.08804	0.4
269.10638	2.8
287.11795	0.5
293.05502	2.2
308.98984	0.5
311.06503	1.0
331.15866	0.5
349.16974	1.0
367.18158	0.6
487.18607	1.3
584.08392	0.5
585.26740	100.0
586.26923	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19159	2.2
52.85384	2.1
53.03941	3.3
53.59323	2.2
55.05503	5.7
57.07060	6.6
65.03936	3.4
67.05511	13.4
69.03417	6.2
69.07060	7.3
69.21638	14.3
69.22062	8.5
71.08611	2.7
77.80894	2.1
79.05488	13.2
80.06264	6.1
81.07063	20.2
83.04968	4.8
83.08591	3.7
85.06531	2.6
89.06030	20.2
91.05479	32.1
93.07048	35.7
95.04955	16.4
95.08617	13.5
103.05454	2.5
105.07026	49.7
106.07819	6.6
107.08601	19.7
109.06533	8.0
109.10146	7.3
111.08057	3.1
116.06263	3.2
117.07005	17.4
119.08585	53.3
120.09422	3.7
121.06493	4.1
121.10130	14.9
123.08064	20.2
123.11720	3.3
125.05959	3.2
127.50828	2.3
128.06194	4.6
129.07019	11.3
130.07777	7.3
131.08582	29.1
132.09346	6.4
133.06512	5.4
133.08585	10.9
133.10147	24.0
135.08043	14.0
135.11691	9.2
137.09610	9.6
138.10402	4.9
141.07007	4.8
142.07770	11.3
143.08554	33.4
144.09358	6.8
145.10127	66.3
145.11285	3.4
146.07353	3.0
147.08115	17.5
147.11682	7.6
149.09615	8.8
151.07509	6.5
155.08582	10.2
156.09335	9.1
157.10141	40.5
158.10861	7.5
159.08032	4.4
159.11716	25.1
160.08755	2.5
161.09625	7.8
161.13242	9.2
163.11153	6.3
165.09129	30.8
166.07732	2.9
167.08524	3.1
167.10681	4.9
168.09247	3.2
169.10133	15.2
170.10860	7.7
171.08072	4.9
171.11685	21.6
172.12329	3.3
173.09715	4.9
173.13306	11.8
174.13879	2.2
175.11143	11.7
175.14922	2.6
177.09122	2.2
177.11220	6.0
177.12659	3.1
179.08527	3.9
181.10097	6.6
181.12215	8.8
182.10860	3.9
183.11722	13.9
184.12495	4.7
185.09662	2.5
185.13280	11.8
186.14006	3.3
187.11150	5.4
187.14835	3.9
189.12752	8.6
190.13568	6.2
191.14278	3.6
192.09355	4.1
193.10168	5.1
193.12209	8.0
194.10823	4.0
195.11650	8.8
195.13516	3.5
196.12427	3.2
197.13258	10.1
199.11201	4.4
203.14319	14.2
207.11656	6.6
207.13802	7.0
208.12460	2.4
208.14618	3.1
209.13225	9.2
211.11037	3.7
211.14803	6.6
213.12833	2.3
213.16342	2.2
214.06436	2.4
221.13319	5.7
221.15346	46.7
223.14798	6.7
224.15538	3.0
225.16418	2.8
234.16107	6.0
235.14723	4.6
237.12793	4.1
247.16966	7.7
253.15802	3.4
259.16946	5.7
260.17902	2.6
266.20377	2.6
271.16876	2.8
273.18292	2.8
274.19199	12.8
286.19318	5.0
287.19952	9.4
299.20001	7.2
300.20770	12.8
312.20972	2.6
313.21207	2.4
325.21591	14.7
337.21646	7.7
352.23959	65.2
353.24570	4.0
365.24942	14.0
365.28857	2.2
366.25452	10.7
371.22787	5.6
404.30438	5.4
412.29874	3.0
438.31393	4.9
446.31570	5.8
491.34998	11.1
492.35599	5.7
504.35992	100.0
566.41034	2.6
584.42188	19.0
584.55933	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	584.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.4
55.01863	3.4
55.05513	16.0
57.07065	7.1
59.04982	3.7
65.03949	4.0
67.05515	22.9
69.03424	7.7
69.07075	16.6
70.01353	5.5
70.01753	5.2
71.04989	3.4
71.08633	3.3
79.05141	2.5
79.05499	33.0
80.06275	6.6
81.07063	45.0
83.04981	5.3
83.08600	6.8
85.06544	4.4
87.04472	3.4
89.06039	24.7
91.05488	46.2
92.06236	2.4
93.07049	61.9
95.04978	32.8
95.08618	30.8
97.06523	8.1
103.05453	5.3
104.72939	2.4
105.07035	100.0
107.08595	51.5
108.41451	2.6
109.06503	10.6
109.10162	26.4
111.08065	4.0
115.05470	5.8
117.07026	24.8
119.08585	95.5
120.09331	7.2
121.06467	4.8
121.10158	38.8
123.08058	38.2
123.11752	4.8
125.09622	8.7
128.06242	14.4
129.07019	21.0
130.07774	9.3
130.18372	2.2
131.08578	56.7
132.09435	11.5
132.10201	2.4
133.06551	2.9
133.08565	10.4
133.10132	58.7
134.10889	2.6
135.08038	11.6
135.11673	13.5
137.09610	12.9
137.13269	2.4
138.10396	15.3
139.11201	4.2
141.06978	9.9
142.07800	20.9
143.08572	56.6
144.09392	14.9
145.06467	3.9
145.10127	99.9
146.10829	5.3
147.08092	12.6
147.11690	28.8
148.79097	2.4
149.09607	7.5
151.07674	3.0
151.11150	4.5
153.07014	2.6
153.09106	2.5
155.08574	19.5
155.10690	5.6
156.09369	19.2
157.10139	64.4
157.11472	3.1
158.09731	2.4
158.10873	19.0
159.08058	8.1
159.11708	49.3
160.08855	6.5
160.12381	4.7
161.09587	9.6
161.13257	10.6
163.11198	6.0
165.07011	4.3
165.09096	8.9
167.08609	8.0
168.09329	5.0
169.10143	29.4
170.10925	7.7
171.11673	41.8
172.12430	6.9
173.09648	7.4
173.13248	24.3
174.14067	2.5
175.11166	9.9
175.14798	5.6
177.11223	5.2
177.12691	3.7
179.08571	8.3
180.09285	5.8
181.10121	15.4
181.12102	5.9
182.10855	8.8
183.11713	28.4
184.12450	7.4
185.09674	3.8
185.13257	25.1
186.13994	4.1
187.11221	5.2
187.14786	7.9
189.12708	6.9
191.14319	8.6
192.09297	3.9
193.10127	11.3
193.12201	3.3
194.10922	8.0
195.11737	27.9
196.12383	9.7
197.13277	25.7
198.13957	4.8
199.11171	4.7
199.14839	18.0
201.12727	7.3
202.13268	2.8
203.14288	8.3
205.10216	3.0
206.11008	2.6
207.11655	9.6
207.13785	6.6
208.12547	5.5
208.14500	3.8
209.13306	24.8
210.14012	5.7
211.14796	20.7
213.12663	3.5
213.16342	8.1
215.14326	2.6
220.12462	3.9
221.13249	9.5
221.15375	18.8
222.13969	5.2
223.14822	12.5
225.12817	3.9
225.16370	6.2
227.17848	3.1
231.11559	2.8
233.13240	5.1
234.16081	4.6
235.14796	8.2
237.16376	8.2
239.17885	7.4
245.13084	3.0
247.14857	5.3
249.16362	5.2
250.17181	3.1
251.17978	5.7
253.19495	3.3
255.17560	4.0
259.14676	3.6
259.17120	2.9
263.18027	6.8
265.19522	5.7
267.21094	3.1
271.16895	3.1
274.19336	5.3
275.20178	3.9
276.20496	4.6
281.19101	2.8
286.19205	2.8
287.20248	3.6
299.20050	4.3
300.20801	4.1
325.21701	2.7
337.25211	8.7
349.25119	3.1
352.24008	20.8
354.25424	9.7
365.24759	7.3
366.25516	4.1
371.22760	6.4
428.30734	3.0
446.31787	14.9
491.35156	6.0
492.35577	10.4
504.36011	29.8
584.42303	46.2
584.55896	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	584.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38281	2.8
53.03936	7.0
55.05516	16.8
57.07067	14.4
57.64196	2.9
64.32239	3.1
65.03954	3.8
67.05505	23.2
69.07064	21.3
70.07407	2.8
71.08620	10.3
71.56668	2.8
71.57182	4.4
79.05495	32.0
80.17115	3.4
81.07062	46.6
83.04975	5.9
83.08615	7.6
85.06548	3.8
85.10175	7.5
89.06033	66.0
91.05475	54.5
92.06285	3.5
93.06484	4.1
93.07046	68.1
95.04980	40.0
95.08601	25.4
97.06549	6.2
103.05450	5.5
105.07032	100.0
107.04976	4.3
107.08593	51.1
109.06515	8.5
109.10169	25.9
109.24831	3.1
111.08088	9.1
115.05415	6.4
116.06226	4.6
117.07030	27.6
119.08577	94.0
119.94129	3.0
121.06493	5.1
121.09320	4.4
121.10146	48.1
123.08055	24.6
123.11687	13.3
125.09573	5.8
125.66896	3.2
128.06219	10.3
129.07008	22.3
130.07779	9.2
131.08565	55.4
132.09296	11.1
133.06429	3.2
133.08624	32.9
133.10130	57.5
134.10980	4.0
135.08038	13.6
135.11725	20.2
135.12556	3.1
137.09618	15.5
138.10393	7.3
139.11113	5.5
141.06996	9.8
142.07755	21.2
143.08563	49.9
144.09392	14.9
145.10126	89.9
147.08043	7.6
147.11707	36.8
149.09581	5.4
149.13263	6.4
151.11174	7.0
153.07016	5.9
155.08543	11.9
156.09360	20.3
157.10126	59.8
158.10846	10.4
159.11694	36.7
161.09605	12.7
161.13245	12.8
163.11176	6.4
165.07047	5.0
167.08543	8.3
168.09340	8.6
169.10138	29.3
170.10857	8.5
171.11708	37.4
173.09608	4.6
173.13249	23.8
175.11238	5.8
175.14822	9.6
177.11195	15.0
177.12653	6.4
179.08525	10.4
180.09341	7.4
181.10143	14.5
182.10886	8.7
183.11681	18.9
184.12433	6.2
185.13269	19.3
187.14835	13.1
189.12697	8.7
191.14368	7.7
193.10091	11.8
194.10779	7.5
195.11684	17.1
196.12384	7.5
197.13275	28.4
198.13884	4.4
199.14859	18.7
201.12759	4.6
201.16422	6.7
203.14365	4.5
206.10884	5.3
207.11752	7.1
207.13986	4.5
208.12422	7.6
209.13229	24.8
210.13989	5.2
211.14792	18.1
213.12709	4.1
213.16394	4.5
215.14256	6.6
220.12512	4.9
221.13321	9.8
221.15361	8.8
222.13838	5.0
222.15746	4.9
223.14799	14.3
224.15585	4.6
225.12755	3.7
225.16386	7.1
233.13272	4.3
234.13890	4.6
235.14726	9.1
237.16351	9.1
239.17870	3.7
247.14835	4.1
249.16331	4.9
253.19382	4.7
263.18021	5.0
265.19415	4.7
273.16312	6.1
275.17755	3.5
277.19540	4.5
311.29272	6.0
312.49643	3.8
313.21515	4.7
319.24045	5.2
337.25214	13.7
354.25439	19.5
371.22733	26.8
446.31735	10.1
474.34738	3.7
492.35751	22.4
541.39771	3.7
542.24719	5.8
566.41052	5.5
567.43738	3.4
584.26495	5.4
584.34283	5.6
584.42169	70.5
584.55646	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	584.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.0
55.01852	3.7
55.05511	14.9
57.07066	10.0
65.03933	3.9
67.05513	21.7
67.63169	2.4
69.03417	5.3
69.07063	13.5
69.65318	2.8
71.04997	3.8
71.55788	3.0
71.56191	3.4
79.05498	30.9
80.06274	8.8
81.07057	43.9
81.17017	2.9
83.04961	6.8
83.08623	10.0
85.06530	5.2
87.04491	3.2
89.06037	20.5
90.45536	2.6
91.05482	48.0
92.06249	3.4
93.07047	52.8
95.04980	30.3
95.08607	29.3
97.06534	8.3
103.05486	5.2
105.07032	95.5
107.08607	48.2
109.06509	11.2
109.10160	28.1
111.08047	6.7
113.09612	3.8
115.05437	7.1
117.07018	28.1
119.08583	100.0
120.05622	2.7
120.09391	3.8
121.06541	7.5
121.10140	39.5
123.08076	47.8
123.11710	6.8
125.09632	7.9
128.06209	10.5
129.07010	21.9
130.07826	12.9
131.08574	52.0
132.09352	11.3
133.08606	11.8
133.10141	55.7
135.08064	6.5
135.11696	13.4
137.09604	7.8
138.10391	10.6
139.11177	4.4
141.06987	7.0
142.07780	16.1
143.08565	59.6
144.09320	12.5
145.10126	97.4
146.10893	6.5
147.08017	8.0
147.11681	20.5
149.09601	4.7
151.11168	3.7
153.07005	6.0
154.07744	3.8
155.08524	13.0
155.10654	7.8
156.09375	17.1
157.10130	53.8
158.10936	15.3
159.08047	6.4
159.11707	50.8
160.08850	3.1
160.12460	4.7
161.09610	8.8
161.13263	7.4
163.11168	7.4
165.06979	5.7
165.09094	4.5
167.08580	11.4
168.09326	3.4
169.10139	27.9
170.10841	8.4
171.11716	42.2
172.12500	5.4
173.09612	4.5
173.13274	20.9
174.13980	5.6
175.11186	5.1
175.14818	11.2
177.11244	7.1
179.08525	9.0
180.09288	4.9
181.10072	15.3
181.12282	3.8
182.10899	10.6
183.11676	26.5
184.12456	6.3
185.13251	23.6
186.13864	6.5
187.11217	4.7
187.14813	9.2
189.12793	5.6
191.14333	5.6
193.10132	8.2
194.10809	4.7
195.11702	18.2
196.12505	6.2
197.13245	25.2
198.13870	5.2
199.05443	2.8
199.11209	6.1
199.14815	17.0
200.15593	4.2
201.16417	5.5
203.14351	4.6
206.10956	4.2
207.11781	14.6
207.13519	3.2
208.12482	6.8
209.13356	21.8
210.13870	5.7
211.14809	17.3
212.15549	6.1
213.16396	15.0
219.11755	5.3
221.13272	14.4
221.15411	14.1
222.13911	3.7
222.15862	4.1
223.14864	15.4
224.15547	3.9
225.16357	14.3
227.14169	3.9
229.15945	3.9
233.13286	6.7
234.16008	3.2
235.14737	8.2
236.15596	3.8
237.16353	8.4
239.17813	5.3
247.14830	6.3
248.15417	4.2
249.16426	5.7
255.17615	3.6
261.16376	6.5
263.17966	5.3
265.19562	4.1
271.17004	3.5
281.19080	4.4
289.19342	4.3
311.29303	3.2
312.20740	3.3
317.22693	3.7
371.22748	12.7
446.31622	9.3
491.35107	3.7
492.35114	5.7
584.41974	50.7
584.55847	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	583.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.9
55.01870	21.3
55.05276	4.4
55.05515	67.5
57.03431	7.8
57.07072	4.6
58.39878	2.8
58.90308	2.8
59.05013	4.7
65.03935	3.8
67.05505	100.0
69.03429	7.0
69.07074	46.0
71.04978	3.6
71.56174	4.2
72.22625	3.5
79.05493	62.9
81.06593	4.2
81.07062	84.6
83.04984	12.0
83.08614	34.9
85.06499	4.9
86.36153	2.9
91.05482	63.7
93.07047	73.8
95.04948	11.9
95.08057	6.2
95.08612	70.1
97.06516	19.1
97.10174	48.5
99.08073	5.2
105.07033	69.0
107.07986	4.3
107.08609	53.0
109.06519	12.6
109.10162	43.7
111.08083	4.1
117.07033	39.9
118.92405	3.0
119.08585	64.2
121.06504	3.8
121.10154	32.3
123.08093	4.8
123.11724	8.5
125.09637	36.5
128.06216	8.1
129.07021	27.3
131.08566	43.8
133.10138	48.5
135.08051	9.3
135.11713	18.6
137.09619	10.8
139.11188	5.1
141.06993	13.4
142.07759	5.5
143.08562	36.4
145.06485	3.4
145.10129	40.2
147.11691	27.2
149.09602	9.9
149.13222	9.7
151.11182	4.0
153.09111	4.7
154.07747	4.2
155.08524	24.2
155.10616	3.9
156.09344	5.1
157.10152	34.9
157.12244	3.7
159.08060	4.9
159.11707	35.3
161.09650	4.8
161.13268	15.9
163.11191	9.1
164.45532	3.3
166.07915	3.3
167.08531	9.4
168.09383	3.5
169.10136	26.2
171.11699	33.4
173.09604	3.6
173.11841	5.8
173.13245	20.4
175.11142	4.2
175.14825	8.4
177.12738	6.4
179.08665	3.7
181.10103	13.8
183.11693	26.7
185.13268	24.0
187.11128	3.2
187.14838	13.4
189.11237	3.7
189.12801	4.5
189.16364	4.8
193.10158	3.9
193.11949	4.4
195.11636	10.4
197.13284	28.2
199.11142	3.4
199.14815	9.3
201.16357	6.0
203.12775	8.5
207.11736	3.8
209.13319	10.2
211.14815	11.5
213.16370	10.4
215.13705	3.2
221.13283	6.8
223.14850	10.2
225.16347	9.3
227.17955	6.7
235.14752	5.1
235.16983	3.3
237.16345	7.1
239.17876	7.7
241.19461	4.6
253.19557	4.0
257.19049	4.2
259.20657	3.7
265.19370	4.2
275.20108	26.3
277.21658	7.6
283.20456	3.3
289.21677	15.7
291.23196	8.5
299.19977	4.3
303.23077	3.9
305.21320	5.0
307.22659	4.3
309.22446	5.7
313.21494	5.0
315.22971	4.4
321.22183	3.6
329.24799	3.4
339.23157	5.6
341.24704	3.5
353.24780	4.2
355.26309	4.5
383.29330	17.7
387.28677	3.3
395.29248	4.0
397.30957	7.9
471.34619	5.9
485.36087	4.8
515.38867	9.1
525.39282	7.8
533.39935	14.2
547.41510	6.2
551.40582	11.9
565.42529	73.7
583.43677	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01872	1.3
55.05515	9.7
55.72411	0.9
57.07073	7.0
58.23366	0.9
59.05004	2.8
63.58743	0.9
65.03935	2.2
67.05508	16.5
69.03431	5.1
69.07067	11.9
69.90051	2.6
69.90464	2.3
74.17062	1.0
77.03920	1.2
79.04804	1.1
79.05496	15.6
81.07059	21.2
81.07541	2.1
83.04977	4.3
83.08617	5.2
85.06544	5.9
91.05482	30.0
93.06475	2.2
93.07045	39.5
95.04978	6.8
95.08610	21.2
96.13464	1.0
97.06539	5.3
103.05465	2.5
104.42110	0.9
105.04585	1.1
105.07031	45.3
107.08597	35.0
109.06520	6.5
109.10157	17.2
111.08064	2.1
113.09660	1.8
115.05441	2.8
116.06228	2.1
117.07016	10.6
119.08579	50.7
121.06527	2.1
121.10146	38.5
123.08087	11.9
123.11735	6.6
125.05981	1.6
125.09624	2.9
128.06244	7.5
129.07016	11.0
130.07797	4.5
131.08563	22.1
133.06476	2.2
133.10129	29.0
135.08064	5.5
135.11696	9.3
137.09604	7.3
139.11179	2.3
141.06990	5.3
142.07788	13.7
143.08563	23.5
143.09679	1.3
144.09344	6.6
145.10130	34.4
147.08006	8.0
147.11681	10.2
149.09598	5.8
149.13278	3.1
151.07559	11.4
151.11234	1.2
153.07057	1.7
154.07800	2.1
154.89984	1.0
155.08557	9.2
155.10703	2.8
156.09364	11.7
157.10141	31.3
158.10930	5.8
159.08072	4.2
159.11703	21.2
161.09642	4.4
161.13242	6.1
163.11200	5.7
165.07042	4.8
165.09116	12.4
166.07840	2.3
167.08611	7.3
167.10677	22.2
168.09416	5.5
169.10123	16.8
170.10889	7.1
171.11697	21.7
173.09650	2.5
173.13251	17.5
175.11275	2.7
175.14795	6.3
177.09219	1.1
178.07841	1.2
179.08560	8.7
180.09372	3.4
181.10144	12.7
181.12234	4.4
182.10905	7.3
183.11688	17.2
184.12486	2.2
185.09747	1.4
185.13292	11.7
187.11240	2.7
187.14809	5.6
189.12764	4.4
191.08696	1.9
191.14336	3.9
192.09332	3.1
193.10138	9.3
194.10907	8.5
195.11711	17.1
196.12517	4.4
197.09718	1.4
197.13283	13.7
198.14047	1.3
199.11215	1.5
199.14842	8.0
201.12796	2.1
201.16414	3.6
203.14236	5.2
205.10089	2.4
205.15887	1.3
206.10902	7.1
207.11731	12.0
207.13837	6.1
208.12460	5.2
209.13271	20.7
209.15237	1.1
210.14096	2.1
211.11108	2.9
211.14772	8.0
213.12750	1.7
213.16441	2.8
215.14359	2.7
217.10226	3.0
217.15947	4.0
218.10896	2.4
219.11758	4.7
219.17442	1.3
220.12495	4.4
221.13277	12.3
221.15425	21.1
221.56784	1.0
222.14136	2.6
223.14789	9.6
224.15591	2.4
225.12712	2.2
225.16374	4.0
227.14276	2.6
227.18185	1.1
229.10213	2.5
229.15894	2.3
230.10889	1.6
231.11728	3.0
232.12589	3.5
233.13602	7.7
233.15445	7.6
234.13992	2.8
235.14824	10.3
235.16910	1.6
236.15514	2.3
237.12874	1.2
237.16394	7.1
239.17929	2.6
241.16139	1.4
243.11778	2.2
243.17461	1.5
244.12395	1.4
245.13226	3.7
246.14064	4.2
247.14842	6.1
247.17015	1.5
248.15688	2.0
249.16365	5.3
250.17180	1.2
251.18008	3.9
253.16042	1.3
253.19510	2.9
255.17462	1.8
256.12585	1.4
257.13174	3.3
257.19052	4.5
258.14142	2.7
259.14807	4.7
260.15652	3.1
261.16345	5.7
262.17035	1.6
263.17953	5.9
265.16107	1.1
265.19440	5.0
269.19031	4.3
271.14789	2.0
271.20554	1.8
273.16379	3.5
274.17194	1.3
275.15326	1.1
275.17807	4.8
277.19589	2.9
279.17725	1.1
279.21094	2.4
281.19098	2.4
283.20605	8.3
287.17740	1.9
289.19641	2.4
291.20959	2.1
293.18997	1.4
295.20682	3.3
297.16107	1.2
297.22305	1.2
301.19272	2.4
303.17560	1.1
305.18866	1.6
307.20471	1.5
309.22107	2.1
315.21069	1.4
317.22644	1.5
331.24414	2.9
333.22226	1.4
335.23550	2.0
343.24292	1.3
347.23727	2.0
349.25241	5.6
357.25739	1.7
359.23956	1.1
361.25320	2.3
373.25439	1.5
375.26974	2.5
403.30136	5.2
491.35257	2.3
503.35123	2.1
509.33694	1.5
547.39465	4.0
565.40363	18.0
583.41473	100.0
584.41644	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
55.05504	0.5
56.96564	0.4
61.02930	0.6
67.05509	1.7
69.07083	0.4
69.80637	2.1
78.00597	0.3
79.05488	1.1
81.03416	0.7
81.07047	1.1
83.04979	0.5
83.58931	0.3
85.02895	0.7
91.05477	1.8
93.07060	1.5
95.08603	0.5
97.02883	0.8
97.06509	0.5
97.32337	0.3
105.07032	1.4
107.08631	0.7
109.10162	1.1
117.07011	0.4
119.08622	0.9
121.10147	1.0
125.00003	0.5
131.08600	0.6
133.10135	0.6
137.05954	0.5
145.10208	0.6
147.11737	0.6
157.10138	1.0
160.87929	0.4
173.13278	0.6
184.07430	1.1
185.04259	0.8
185.36900	0.3
187.14899	0.5
259.08014	0.5
284.12878	0.5
331.10028	0.5
333.19565	0.4
347.13077	1.1
349.17035	0.6
421.16983	0.5
421.25595	1.1
457.20395	2.7
471.22275	0.5
483.22165	0.7
485.23462	3.9
501.23318	0.5
539.19629	0.5
553.29358	0.5
583.30914	100.0
584.31250	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4148
Annotation	Diadinochrome
Peak:m/z	Relative Intensity
53.03936	2.7
55.05508	7.2
56.21524	0.9
57.07069	5.4
58.22311	0.9
63.94686	0.9
65.03942	2.2
67.05504	13.0
69.03418	3.3
69.07074	8.3
70.07979	3.5
77.03911	1.6
79.05486	12.3
81.07062	16.7
83.04984	3.3
83.08611	4.7
85.06533	2.4
91.05487	20.1
93.07053	33.0
95.04974	5.8
95.08051	1.9
95.08607	22.6
97.06538	3.5
97.10154	1.1
103.05450	2.4
105.04510	1.7
105.07034	36.3
105.30078	1.1
106.07865	1.2
107.08599	23.4
109.06518	4.0
109.10165	12.4
113.42649	1.0
115.05442	2.7
117.07005	8.1
119.08582	39.6
120.09434	1.0
121.06532	3.0
121.10149	24.9
122.07375	1.4
123.08077	12.9
123.11723	3.8
125.09652	1.8
128.06213	5.4
129.06993	7.5
130.07800	3.9
131.08572	14.8
133.06496	2.6
133.10126	19.3
135.08069	4.1
135.11703	7.1
137.09607	7.6
141.06960	5.1
142.07773	11.4
143.08571	17.9
144.09363	2.8
145.10123	26.9
147.08058	10.4
147.11694	10.8
149.09610	4.1
151.07544	12.6
151.11137	1.1
153.06996	2.1
154.07765	1.9
155.08566	8.7
156.09364	10.0
157.10133	26.1
158.10918	4.9
159.08066	2.9
159.11705	13.6
161.09607	3.8
161.13261	3.9
163.11201	3.6
165.06987	2.6
165.09111	20.2
166.07620	1.6
167.08514	5.3
167.10632	4.7
168.09325	4.6
169.10124	14.0
170.10881	5.5
171.11703	15.9
172.12456	1.4
173.13257	11.9
174.10452	1.7
175.11179	2.8
175.14848	5.5
177.09138	1.3
179.08534	5.8
180.09360	3.4
181.10146	8.8
181.12238	2.5
182.10880	5.0
183.11707	11.4
184.12497	2.7
185.13245	11.1
187.11212	1.6
187.14867	4.6
189.12733	5.9
191.08481	1.9
191.14326	3.2
192.09311	2.2
193.10127	7.8
194.10931	5.0
195.11710	14.6
196.12494	2.4
197.13246	11.7
199.11253	1.8
199.14841	7.2
201.16542	1.5
203.14294	9.7
205.10126	2.5
206.10876	5.1
207.11737	8.9
207.13840	5.0
208.12498	4.0
209.13264	14.6
209.15169	1.9
210.14011	1.5
211.11375	1.4
211.14784	6.0
213.12717	1.9
213.16353	2.1
215.14333	1.4
217.10188	1.4
217.15895	3.2
218.10965	1.7
219.11737	3.7
220.12466	3.1
221.13266	9.4
221.15411	36.4
222.14069	3.1
223.14799	5.4
225.16425	3.3
227.14310	1.2
229.16017	1.4
231.11687	2.5
231.17403	1.7
232.12462	2.2
233.13229	3.2
233.15344	2.2
234.14128	2.2
235.14822	7.4
237.12682	1.4
237.16420	4.4
239.17952	2.1
245.13364	3.7
246.14059	2.2
247.14738	4.7
247.17041	1.3
249.16464	3.7
251.14436	1.2
251.17798	1.5
253.19656	3.3
255.17406	1.2
257.19064	2.1
259.14923	3.5
260.15677	2.7
261.16373	4.6
263.17972	4.2
265.19571	3.9
269.19049	2.9
271.14777	1.6
271.20587	3.6
272.15820	1.3
273.16196	2.6
273.18829	1.8
275.18015	3.7
277.19479	1.3
279.21091	2.2
281.19159	1.7
283.20572	5.6
286.19473	1.6
287.20187	2.9
289.19510	3.3
293.18988	1.3
295.20840	2.6
297.22186	3.7
301.19266	2.4
303.20865	1.6
307.20712	1.8
309.22107	1.8
331.24255	1.4
333.22168	1.6
347.23859	1.7
349.25156	3.5
351.22827	1.0
357.25815	1.8
361.25186	1.5
365.24713	2.2
373.25323	1.3
375.26917	5.2
401.28619	1.3
403.29990	6.9
427.30240	1.9
491.34564	1.6
503.34961	4.7
509.34293	1.7
547.39496	3.5
565.40460	23.4
583.41473	100.0
596.70776	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
55.05510	7.3
57.07069	6.9
58.87988	1.5
59.04988	1.5
65.03928	2.3
67.05511	12.5
69.03426	5.9
69.07069	9.9
69.81837	8.0
72.61192	1.4
79.05492	15.0
81.07061	23.4
83.04976	3.4
83.08613	4.0
85.06541	3.1
91.05476	31.2
93.07037	27.5
95.04971	47.4
95.08607	16.8
95.50653	1.3
97.06528	2.5
103.05478	2.3
105.07033	52.0
107.04921	2.0
107.08602	35.4
108.05726	1.5
109.06512	7.8
109.10173	9.6
115.05459	5.2
116.06165	1.7
117.07017	20.5
118.07854	1.4
119.04908	4.0
119.08585	47.3
120.09363	2.2
121.06544	6.6
121.10137	27.3
122.07291	6.3
123.08067	10.8
123.11715	5.3
125.09628	1.6
128.06212	12.5
129.07014	15.7
130.07813	8.1
131.08574	35.5
132.09322	1.5
133.06494	3.8
133.10138	27.8
134.07210	1.6
135.08054	15.1
135.11700	6.4
137.09625	4.1
138.10381	2.2
139.11162	1.4
141.07019	6.1
142.07780	18.8
143.08562	51.4
143.09703	2.5
144.09338	7.2
145.06470	4.6
145.10126	49.2
146.07246	3.0
147.08067	8.1
147.11700	13.7
148.08832	2.7
149.09560	7.9
151.11209	2.0
153.07005	5.8
154.07716	1.6
155.08545	22.5
156.09328	17.7
157.10138	43.1
158.10858	8.6
159.08058	12.0
159.11679	21.1
160.08820	2.1
161.09627	14.2
161.13245	2.7
162.10362	1.4
162.62677	1.5
163.11151	2.5
163.67085	1.4
165.07043	5.8
166.07814	4.7
167.08582	9.4
167.10687	8.5
168.09344	7.6
169.10126	26.6
170.10919	4.7
171.08055	5.5
171.11681	26.4
172.08864	3.0
172.12570	2.1
173.09657	15.0
173.13274	12.3
174.10352	1.6
175.11203	6.6
177.09091	2.0
178.07870	2.1
179.08545	11.9
180.09373	5.6
181.10129	19.8
182.10934	9.1
183.08078	2.2
183.11693	25.4
184.12425	2.0
185.09708	8.1
185.13252	12.8
186.10487	2.4
186.14212	1.4
187.11157	10.7
187.14828	4.0
188.11984	5.7
189.09163	4.1
189.12761	7.2
191.08569	1.6
191.14330	7.2
192.09357	5.8
193.10155	15.1
194.10913	10.3
195.11705	31.6
196.08858	2.4
196.12541	5.6
197.09650	6.4
197.13268	18.0
198.10452	1.9
198.14020	5.0
199.11148	12.7
199.14825	9.3
200.11812	1.8
201.12776	5.2
203.08585	2.1
203.14297	3.2
205.10185	5.4
206.10907	4.5
207.11682	16.9
208.12466	6.9
209.09752	3.8
209.13260	20.5
210.10442	5.1
210.14110	5.4
211.11205	10.1
211.14760	9.2
212.11920	3.2
213.12714	7.1
213.16318	3.9
215.10605	2.6
215.14397	5.5
216.09389	1.6
217.10129	3.1
217.15891	3.2
218.10840	3.7
219.11740	5.7
220.12531	4.5
221.13242	9.9
221.15262	2.1
222.14076	4.2
223.11229	6.7
223.14751	13.4
224.11969	2.2
224.15529	2.7
225.12762	7.5
225.16367	3.6
227.14323	13.8
229.10164	2.1
230.10933	2.5
231.11740	4.6
232.12482	3.8
233.13309	11.1
233.15334	2.2
235.11195	2.8
235.14842	8.1
236.11961	1.6
236.15527	2.4
237.12766	5.2
237.16373	3.8
238.13521	2.6
239.14386	3.7
239.17958	3.9
241.15852	4.1
244.12540	3.4
245.13322	5.4
245.15483	2.4
246.13997	2.4
247.14755	7.2
248.15598	2.6
249.12766	4.3
249.16422	6.8
251.14325	4.1
251.18034	2.1
253.15862	8.3
255.17415	5.4
256.18192	1.6
257.13135	3.1
257.15488	2.8
257.19031	3.8
258.13876	1.7
259.14929	4.8
261.12943	2.3
261.16418	6.0
263.14435	3.8
263.17950	1.7
265.15939	7.9
267.17578	2.6
269.18951	2.3
271.14566	2.1
271.17044	5.5
272.15332	1.7
273.18509	59.2
275.14316	2.2
275.17865	4.0
276.15295	2.0
277.15784	4.5
277.19586	1.6
279.17618	2.5
281.19101	1.5
286.16525	1.6
286.19400	4.2
287.20398	2.3
289.15924	8.1
289.19077	3.2
290.16699	2.9
291.17514	4.0
291.21036	6.1
293.19168	2.2
299.20126	16.8
300.20911	2.0
301.19595	1.8
304.18549	1.8
305.19009	2.6
307.20590	1.9
309.22250	3.6
311.20340	1.8
312.20837	2.8
319.20605	7.5
325.21667	4.1
329.18912	2.0
333.22263	3.2
334.22849	1.8
337.21606	19.1
339.23184	2.1
347.20053	1.6
350.22504	1.4
351.23273	5.7
352.23956	100.0
353.24686	4.7
357.22195	3.2
361.21439	2.3
363.23096	7.5
365.24689	8.3
376.23911	4.9
377.24713	1.8
391.26147	1.7
406.28934	2.0
429.28055	4.6
434.27991	7.4
443.29474	4.1
444.30255	37.7
445.31061	5.8
472.33603	2.7
490.34433	18.1
521.37659	2.2
564.39764	3.6
582.40680	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.7
55.05512	15.4
57.03432	8.9
57.07061	1.9
59.05003	2.9
61.02911	3.9
67.05508	64.7
69.03413	4.5
69.07061	14.9
71.00464	2.2
71.00799	2.9
71.04990	5.3
71.92909	1.5
73.02932	2.5
79.05493	22.4
81.03419	2.8
81.07063	45.4
83.04994	4.4
83.08617	12.0
85.02900	6.7
85.06532	5.8
86.09711	4.1
91.05486	19.8
93.07050	27.4
95.04965	4.9
95.08607	21.4
97.02866	4.4
97.06522	7.8
97.10168	7.9
98.97583	3.0
103.03955	3.5
104.10743	3.2
105.07021	16.5
107.04992	3.4
107.08597	27.2
109.06522	6.5
109.10163	58.9
111.08085	6.6
113.09659	1.6
117.06992	6.4
119.08586	13.7
121.06493	3.0
121.10161	11.0
123.08051	3.4
123.11695	4.0
124.99973	1.6
125.09634	5.2
125.35538	1.7
129.07008	1.7
131.08575	9.0
133.06523	1.7
133.10144	13.9
135.08051	3.7
135.11673	7.5
137.09615	6.0
145.10139	11.5
147.11691	7.0
149.01118	1.6
149.09621	6.6
149.13254	9.7
155.08577	1.9
155.10634	9.7
157.10196	1.9
158.99617	2.3
159.11702	14.6
161.13226	3.2
163.11151	4.0
171.11697	4.0
173.11732	16.3
173.13138	4.1
177.12794	10.6
179.14294	4.1
184.07326	7.8
189.11232	3.1
195.13860	3.7
227.12697	4.9
229.14360	100.0
239.18037	3.7
245.13829	2.4
250.09810	2.7
251.16534	4.0
257.18945	6.7
269.17484	49.6
275.20053	23.4
293.21207	2.7
331.12299	11.9
331.62375	3.8
349.23724	54.0
367.24768	30.7
373.18661	1.9
455.13159	1.9
582.33478	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
56.05033	0.7
57.03426	0.4
58.06582	1.9
58.06826	0.2
59.07374	1.6
60.08162	7.0
61.02935	0.3
67.05502	1.6
69.03428	0.3
69.07070	0.3
69.82880	0.4
69.83273	0.5
70.06588	0.3
71.07372	2.7
79.05489	0.4
81.03411	0.5
81.07053	0.4
85.02894	0.3
86.09705	31.9
91.03976	0.3
91.05479	0.4
93.07054	0.5
95.08625	0.4
97.02841	0.3
97.06557	0.3
98.21326	0.5
98.98462	2.9
103.76057	0.2
104.10744	16.1
105.07014	0.2
107.08597	0.2
109.10163	1.1
119.08601	0.3
125.00005	20.3
131.08583	0.2
133.10155	0.3
150.73323	0.2
168.04039	0.2
184.07338	100.0
185.07733	0.3
210.08893	0.4
213.06044	0.2
222.08916	0.4
229.14441	0.3
239.09229	0.7
256.09421	0.6
258.11032	0.2
299.11313	0.4
312.12021	0.5
331.10410	0.2
357.58734	0.2
383.47821	0.2
394.19894	0.7
412.20944	9.8
413.20987	0.2
440.24030	0.9
461.29095	0.2
484.22635	0.3
494.00262	0.2
564.28973	0.4
582.30243	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	582.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.0
55.01870	4.8
55.05510	18.2
56.96574	1.6
57.03442	11.5
57.07079	2.4
59.05014	2.4
60.08163	1.8
61.02914	6.3
65.03947	2.2
67.05508	66.7
67.05875	3.3
69.03416	5.8
69.07066	18.3
71.04987	3.6
73.02930	2.2
75.75730	1.5
79.05502	28.7
81.03409	5.6
81.07057	64.7
83.04984	6.0
83.08623	17.6
85.02911	9.2
85.06531	8.1
86.09698	4.0
91.03953	3.1
91.05485	24.1
93.07050	37.9
95.04969	6.9
95.08617	27.8
97.02902	6.9
97.06526	16.1
97.10177	6.0
98.97551	2.6
99.08119	3.8
103.03971	2.7
103.92005	1.6
104.10773	2.6
105.07037	24.3
107.04955	6.2
107.08601	33.1
108.46098	1.7
109.02865	2.2
109.06532	10.1
109.10162	47.6
111.08065	5.9
117.07040	9.5
119.08583	19.4
120.10597	1.4
121.06506	3.7
121.10147	14.4
121.18314	1.6
123.08079	3.9
123.11723	6.0
124.99973	1.5
125.09621	7.4
129.07043	2.5
131.08553	13.7
133.06387	1.9
133.10143	19.5
135.08073	3.9
135.11679	9.4
137.05978	3.2
137.09610	5.8
143.08546	3.5
145.04984	2.5
145.10117	10.8
147.11723	12.5
149.09639	9.7
149.13269	18.9
151.11229	3.2
155.10670	7.1
159.11705	22.0
161.09619	2.6
161.13304	5.1
163.03900	1.7
163.11186	6.2
165.09105	2.9
165.12781	2.2
169.10211	2.4
171.11646	4.0
173.11751	18.4
173.13190	3.9
175.07655	1.9
177.12764	23.7
179.14317	5.3
183.11717	2.2
184.07346	10.7
189.11247	2.8
195.13828	8.7
197.13361	2.3
201.12772	2.1
227.12820	3.4
229.14355	76.5
229.19362	2.8
245.14014	2.0
247.15491	4.0
247.20584	1.9
251.16426	6.7
257.19022	10.2
269.17477	100.0
275.20059	27.8
288.59512	1.7
293.20941	4.4
349.23746	90.7
350.50650	1.6
367.24814	69.3
377.19531	2.2
391.19705	3.9
395.20786	1.9
402.05045	1.7
413.21774	3.9
431.22751	5.3
529.29803	1.9
582.28882	2.6
606.45465	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.8
56.10955	0.2
57.03438	0.4
58.06578	1.6
58.74279	0.2
58.94439	0.2
59.07370	1.8
60.08163	6.6
61.02923	0.4
67.05508	1.7
69.07074	0.3
69.90900	1.0
71.07373	3.3
79.05491	0.5
81.07075	0.6
85.02911	0.4
86.09703	29.9
90.16883	0.2
91.05486	0.4
93.07032	0.4
95.17898	0.2
97.06557	0.3
98.98446	2.7
104.10739	17.7
105.07025	0.3
109.10161	1.4
119.08543	0.3
125.00002	19.4
129.05478	0.2
133.10156	0.3
135.11671	0.2
141.01198	0.2
155.10809	0.2
159.56992	0.2
176.29648	0.2
184.07333	100.0
210.08876	0.4
229.14337	0.6
239.09222	0.6
256.09500	0.3
258.10980	0.3
299.11337	0.6
312.12112	0.4
329.00473	0.2
331.10107	0.4
368.18588	0.2
375.22440	0.2
394.19907	1.2
412.20950	10.0
440.23941	0.8
468.23471	0.4
564.29388	0.5
582.30066	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	581.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.6
53.03952	2.6
55.01881	0.9
55.05513	16.0
57.03439	0.6
57.07064	1.7
59.05009	0.9
65.03936	1.5
65.13992	0.5
66.99387	0.4
67.05505	25.9
69.03405	0.6
69.07070	13.1
69.83139	2.6
71.04995	0.5
73.06571	1.2
74.00680	0.5
77.03959	0.6
79.05492	17.9
81.07059	29.9
83.04981	1.8
83.08620	9.6
85.06532	1.8
91.05482	16.2
93.07047	18.9
95.04984	1.6
95.08610	27.5
97.06542	2.9
97.10172	4.9
99.08098	1.5
105.04517	0.8
105.07033	21.6
107.08595	14.7
109.06509	0.8
109.10159	11.5
111.08084	1.8
111.11709	0.5
115.05456	1.4
116.06249	0.6
117.07018	13.4
119.08579	19.5
121.10149	11.1
123.08071	1.6
123.11719	3.7
125.09651	2.4
128.06238	2.1
129.07005	13.8
130.07835	1.0
131.08571	19.1
133.10123	15.8
133.11079	1.0
135.08063	0.6
135.11688	6.2
137.09610	1.4
137.13307	1.5
139.11134	0.7
141.06989	4.1
142.07774	3.6
143.08559	19.2
144.09369	1.1
145.10126	19.6
147.11682	10.2
148.12663	0.6
149.09576	1.2
149.13249	4.0
151.11220	0.6
151.14828	0.6
155.08553	8.1
155.10603	0.8
156.09373	1.9
157.10127	17.8
158.10919	0.9
159.11685	13.1
161.13217	5.4
161.14194	0.5
163.11183	0.7
163.14871	1.6
167.08546	3.2
168.09355	0.7
169.10132	10.6
169.11569	0.7
170.10930	0.9
171.11682	15.7
172.12555	0.7
173.13251	9.9
175.14804	3.1
177.16441	0.8
179.08560	1.1
181.10152	4.3
182.10985	1.3
183.11702	10.1
185.13257	11.4
186.14069	0.6
187.14833	6.4
189.16454	2.5
193.10129	0.9
195.11679	4.7
196.12573	0.8
197.13234	7.7
199.14795	7.9
201.16351	2.9
203.14502	0.7
203.17961	0.7
207.11699	1.2
209.13281	3.1
211.14832	5.2
211.77489	0.5
213.16399	6.3
215.17966	1.0
221.13309	1.7
221.15292	0.6
223.14839	3.2
225.16418	3.7
227.17958	4.4
229.74757	0.6
233.13231	0.6
235.14781	1.5
235.16951	0.8
237.16405	2.7
239.18031	2.1
241.19594	2.0
249.16408	1.1
249.18622	0.6
251.17937	1.0
251.20161	0.6
253.19559	1.7
255.17441	0.7
255.21021	1.0
257.19177	1.0
261.18539	0.6
263.20126	1.5
265.19437	0.9
267.21072	1.4
271.20792	0.8
275.17554	0.7
275.20264	0.7
277.21680	1.6
281.19073	0.8
281.22641	0.7
283.20605	1.5
285.22018	0.9
289.21881	1.3
291.23193	0.9
295.20663	0.8
297.22171	2.1
299.23782	0.8
301.21643	0.9
303.23309	1.9
309.22089	1.3
313.21851	0.7
315.23285	1.7
317.24768	1.9
319.26526	0.7
321.22119	0.7
323.23749	1.8
327.23291	1.7
329.24817	2.0
331.26239	1.3
333.25430	0.6
335.23856	1.0
337.25278	1.1
341.24890	2.6
343.26263	0.7
345.27991	2.2
351.26947	2.1
353.24606	0.7
355.26392	1.9
359.29684	0.6
365.28412	1.5
367.26175	0.7
369.27841	3.1
371.29645	1.3
377.28564	0.7
379.30206	1.0
383.29401	3.8
393.31808	0.6
395.29214	0.6
397.31146	2.2
403.29956	0.6
405.31067	0.6
411.32614	2.0
421.30911	0.8
425.34302	1.2
429.31436	1.0
433.30746	0.9
435.32608	0.8
447.32513	2.7
449.34659	0.8
461.34409	0.9
467.34598	0.9
472.35400	0.7
473.36389	1.5
479.35229	1.7
493.37189	0.8
499.38928	1.1
511.37897	2.7
512.38580	0.6
517.40326	9.3
531.42163	1.2
549.43036	16.4
581.45673	100.0
582.45990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1499
Annotation	Kaempferol 3-apiosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
51.63437	0.1
53.03936	0.1
55.05490	0.1
56.96556	0.2
57.03432	0.1
61.02920	0.2
62.79015	0.1
67.01852	0.5
67.05483	0.2
68.99476	0.1
68.99811	0.4
69.03436	0.6
69.07076	0.1
69.54446	0.8
70.06589	0.3
79.05478	0.2
81.03403	0.4
81.07038	0.1
84.08100	0.2
85.02901	0.8
86.09703	0.2
87.04453	0.2
89.03931	0.2
93.06994	0.1
95.04980	0.2
95.67651	0.1
97.02892	0.5
97.06535	0.2
98.97577	0.3
105.07014	0.1
105.26745	0.1
112.99158	0.2
115.03947	0.3
117.03399	0.2
123.72065	0.1
127.03870	0.2
129.01859	0.1
131.00136	0.2
133.04977	0.2
133.06636	0.1
135.04420	1.6
137.02342	0.3
137.05983	0.2
149.01242	0.1
153.01830	4.2
161.02348	0.4
167.06949	0.1
171.02910	0.3
173.03688	0.1
179.03407	0.3
185.05873	0.2
193.12215	0.1
195.88060	0.1
208.47884	0.1
213.05482	0.1
217.04977	0.1
233.11589	0.2
238.66029	0.1
241.04941	0.4
243.08795	0.2
246.14769	0.2
263.58270	0.1
269.04541	0.2
283.13336	0.3
287.05496	100.0
288.05869	0.6
299.08075	0.1
309.11246	0.2
324.11395	0.9
333.11743	0.3
333.61945	0.1
340.12842	0.3
349.13327	0.5
389.22272	0.1
401.11072	0.1
407.23193	0.4
419.09958	0.2
425.24356	0.3
449.10809	1.0
473.27795	0.2
491.22357	0.2
491.29044	3.2
581.14630	0.2
581.27881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
56.96562	0.7
57.03423	0.8
61.02917	1.4
67.05493	2.2
69.03408	1.1
69.07058	1.6
70.06594	0.6
70.80056	0.5
71.56622	0.9
73.02923	0.8
79.05479	1.0
81.03402	1.3
81.07059	3.1
83.05003	0.7
83.08620	0.7
84.50014	0.5
85.02890	2.5
86.09706	0.9
88.48940	0.6
91.05491	2.1
91.65724	0.6
93.07038	2.3
95.08607	2.1
97.02879	1.1
97.06514	1.4
98.97596	1.2
99.04479	0.8
100.11250	1.0
105.07027	2.0
107.08556	1.7
109.10184	1.2
111.04347	0.7
113.05757	1.3
114.12804	1.2
119.08575	2.0
121.10139	1.2
127.03924	0.9
128.20073	0.6
128.44214	0.5
131.00180	0.6
131.08572	0.8
133.10158	1.2
135.08014	0.7
135.11766	0.8
137.05951	0.9
145.10187	1.0
147.11739	0.9
149.02480	0.6
158.99774	0.6
173.06476	0.5
187.07486	0.6
210.14853	0.8
215.07448	0.7
237.09993	0.6
261.07361	4.2
275.11151	3.5
305.10837	1.3
317.12003	4.3
318.11688	0.6
333.13058	9.3
361.12631	4.4
365.23114	0.8
366.23413	1.7
381.14841	2.0
423.12610	1.2
477.17487	1.4
495.18427	16.5
537.19440	37.3
581.18402	100.0
582.18524	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01851	1.4
55.05511	7.6
57.03427	2.6
57.07070	1.2
61.02918	3.2
65.03925	1.6
65.57428	1.0
67.05176	1.6
67.05508	21.0
69.03436	8.0
69.07062	11.0
69.51970	7.3
71.04993	2.0
73.02911	1.1
79.05126	1.3
79.05498	14.2
81.03409	4.5
81.07059	47.6
83.04963	1.6
83.08612	3.6
85.02909	30.5
91.03957	2.4
91.05476	14.9
93.07043	31.5
95.05012	1.3
95.08610	60.0
97.02892	8.4
97.06533	2.8
97.10143	2.9
99.04462	1.7
105.07031	42.0
107.04874	1.2
107.08595	50.2
109.02874	1.9
109.10159	47.9
114.86950	1.2
117.06996	2.7
119.08579	37.3
121.10141	21.1
123.11720	11.0
125.09581	1.8
127.03919	7.4
131.08540	2.6
133.10144	20.8
135.03665	1.0
135.11703	12.5
137.06062	1.2
145.04958	10.7
145.10092	2.7
147.11690	39.6
149.13251	3.5
151.11163	5.4
159.11716	1.8
161.13235	16.9
163.06007	4.8
163.14816	13.9
165.12822	2.0
175.14807	8.1
184.07335	1.9
203.17961	100.0
209.44174	1.1
221.18974	8.3
255.15891	2.4
263.86398	1.1
325.11197	1.5
365.23166	3.8
408.36713	1.1
427.95697	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.8
56.05036	0.8
57.01386	0.4
57.07078	0.5
58.06599	1.2
58.46430	0.4
59.07389	0.5
60.04529	3.5
60.08167	10.7
67.05501	0.8
69.03438	0.6
69.07078	0.7
70.06596	0.5
71.56245	0.5
72.08160	17.8
74.06087	1.3
81.66004	0.4
84.08150	24.4
85.02919	1.5
85.06551	1.0
86.09711	2.2
87.05587	3.0
91.05488	0.6
93.07021	0.9
96.08126	0.9
97.02908	1.1
97.62096	0.4
98.97588	1.7
100.79601	0.5
103.05494	1.0
113.05877	0.4
114.09167	4.4
116.98669	0.6
120.08112	35.3
125.03137	0.6
127.03912	0.6
129.10269	1.3
130.08652	11.0
137.05951	0.6
141.10281	0.5
143.15460	0.5
144.13846	1.5
147.04425	2.1
148.04774	0.9
157.09785	0.8
159.11296	21.7
175.14474	0.7
177.10242	7.3
187.10793	7.2
188.13806	0.5
189.15982	3.8
203.65010	0.5
205.09761	1.6
219.01817	0.9
237.02943	0.6
244.12959	3.0
277.15500	1.3
291.30063	0.4
514.30084	0.6
537.09766	0.5
540.25714	0.5
549.34015	0.8
552.78888	0.5
579.20111	5.0
579.35040	100.0
580.20557	0.7
580.35394	1.0
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
53.03935	4.6
55.01873	10.4
55.05511	18.7
57.03240	1.2
57.03443	12.1
57.07069	1.7
61.02933	12.3
67.05506	68.2
68.77030	1.4
69.03420	7.2
69.07070	58.3
69.42276	8.3
69.42695	2.8
71.04983	4.3
73.02913	4.2
79.05061	2.7
79.05495	35.0
81.03402	7.8
81.07056	49.9
83.04984	6.6
83.08630	10.5
85.02918	11.1
85.06543	2.4
91.03940	6.8
91.05482	41.5
91.82968	1.4
93.06472	3.0
93.07043	41.1
95.04978	11.2
95.08611	42.0
97.02916	8.3
97.06539	20.2
97.10174	6.1
98.20824	3.1
99.08064	2.5
103.03947	3.1
105.06310	2.0
105.07033	39.4
107.04975	9.9
107.08595	22.0
109.02895	2.0
109.06489	4.8
109.10154	37.2
111.08085	5.3
113.09684	1.3
117.07028	12.9
119.08578	31.0
121.06512	3.0
121.10143	14.5
123.04434	1.7
123.08066	4.8
123.11722	6.7
125.09615	11.4
127.03904	4.4
129.07007	4.9
131.08577	15.7
133.06448	1.5
133.10141	26.6
135.08051	5.8
135.11726	8.2
137.09602	13.7
139.07533	2.2
141.06982	2.0
142.07652	2.2
143.08559	5.4
145.06476	2.9
145.10132	19.0
147.11700	14.0
149.09648	19.5
149.13271	3.2
151.11195	3.7
154.07716	1.9
155.08600	3.5
155.10689	5.7
157.10129	5.9
159.11703	13.3
161.09627	1.9
161.13351	8.4
163.11205	11.8
165.09128	2.5
167.10806	1.6
169.10143	2.8
171.10167	14.9
171.11722	5.2
173.09616	1.8
173.11720	10.2
173.13271	8.3
175.11212	2.4
177.12781	3.4
179.14342	5.1
183.11742	3.1
184.07378	3.2
187.11143	1.7
189.11263	2.6
193.12207	2.1
197.13251	1.6
223.13254	1.9
227.12740	1.9
229.14366	41.3
229.19452	4.0
230.14948	1.5
239.17975	4.9
243.15848	2.1
247.20639	4.5
253.17984	5.3
255.16055	1.8
257.18967	11.5
267.15811	1.6
269.17468	3.8
271.15448	10.5
273.18362	2.7
275.20071	51.9
291.19498	5.9
293.21121	3.8
297.16971	1.7
349.23743	100.0
367.24753	15.1
418.26892	4.0
518.34125	2.2
562.36353	3.1
580.32611	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	579.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69910	0.5
53.03040	0.5
53.03942	2.5
55.05519	11.2
56.85292	0.5
57.03442	8.7
57.07077	5.4
65.03934	1.7
66.71295	0.5
67.05507	46.1
68.92023	0.6
69.03426	1.4
69.07071	12.8
69.82235	2.5
71.04981	1.4
71.08624	2.5
79.05060	1.1
79.05492	14.8
81.03416	11.0
81.07059	51.2
83.04990	1.0
83.08627	9.8
85.02905	1.6
85.06551	1.1
85.10168	0.6
91.05479	10.4
93.07052	17.2
95.04958	1.9
95.08610	48.3
97.06515	2.8
97.10182	5.3
98.20782	1.1
98.98469	98.2
99.04485	1.5
99.08090	1.8
105.07029	8.0
107.08601	10.5
109.02891	5.8
109.06515	0.9
109.10157	18.9
110.44664	0.5
111.08097	1.9
111.11736	1.4
113.09621	1.1
116.99490	1.7
117.06949	0.7
119.08598	6.4
121.10138	8.6
123.08047	0.9
123.11699	8.8
124.99976	0.6
125.09625	1.1
127.03916	1.0
127.11206	0.5
131.08554	1.0
133.10138	6.4
135.11710	5.5
137.09615	0.8
137.13225	4.1
139.11211	0.7
140.01062	1.3
145.04951	0.9
145.10094	0.9
146.58763	0.6
147.11691	4.5
149.13235	4.4
151.11147	1.0
151.14812	3.7
153.12766	0.7
155.01047	100.0
155.14297	0.7
157.10143	0.7
159.11653	1.1
161.13263	4.5
163.14838	4.7
165.12888	0.8
165.16400	2.6
167.14342	0.8
173.02092	1.0
175.14832	3.5
175.96210	0.5
177.16319	0.6
179.14430	0.6
179.17947	1.1
189.16368	2.0
196.03777	0.7
201.90501	0.6
207.17430	0.6
225.01637	1.2
243.02660	2.4
245.22659	17.0
263.23712	29.4
271.03931	0.6
281.04102	0.9
299.05310	2.0
317.06339	14.2
319.26300	1.5
337.27374	82.0
338.27890	0.9
407.27963	1.6
417.24054	1.1
425.28979	5.4
561.28528	4.9
561.36707	1.0
570.47083	0.7
579.37988	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	577.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03903	0.4
54.41050	0.2
55.01833	0.6
55.05460	1.6
56.96529	0.4
57.03397	0.6
57.07023	0.8
61.02872	1.1
67.05510	2.9
69.03436	2.1
69.07072	4.6
69.19642	0.5
69.20044	2.1
70.06564	0.3
71.04957	0.5
71.08591	0.5
73.02880	0.4
74.07333	0.2
79.05502	1.5
81.03419	1.6
81.07065	7.7
83.04948	0.4
83.08626	2.8
85.02908	5.2
85.06483	0.7
86.06006	0.9
86.09692	0.3
87.00830	2.8
91.03918	0.6
91.05490	1.2
93.07056	1.6
95.04927	0.5
95.08612	8.6
97.02912	2.0
97.06542	1.7
97.10181	1.5
99.04403	0.5
99.08036	1.1
102.31250	0.2
105.01871	5.2
105.06962	1.1
107.08595	1.7
109.02890	1.2
109.10159	4.3
111.08017	0.3
111.11713	1.5
113.09642	0.3
116.10669	1.1
117.06976	0.3
117.10963	0.4
119.08521	1.0
121.06483	0.3
121.10088	1.1
123.08047	0.3
123.11720	2.8
125.09576	0.4
125.13277	1.3
127.03919	3.1
130.49039	0.3
131.08519	0.7
133.10069	0.5
135.11612	0.8
137.05951	0.7
137.09689	0.2
137.13274	1.9
143.08539	0.3
145.05006	1.1
145.10144	0.5
147.02802	0.3
147.07979	0.3
147.11620	0.4
148.42995	0.2
149.13217	1.0
149.81691	0.2
151.14871	1.1
153.01796	0.6
163.03888	0.5
163.14752	0.5
165.09158	0.4
165.16386	0.6
169.15930	0.4
177.16589	0.2
179.17946	0.5
185.09422	0.2
203.03304	0.3
213.21657	0.2
229.05066	0.6
229.10942	0.3
230.11499	0.4
231.04929	1.3
249.05946	1.1
257.04465	28.6
258.05222	3.0
275.27332	0.4
285.03937	0.5
286.04739	11.0
287.05499	11.6
293.28296	1.5
293.53427	0.3
297.07449	0.7
299.20251	0.4
313.07288	0.3
316.21140	1.3
317.21530	1.9
339.08923	0.3
373.21884	0.5
381.14883	0.5
383.11264	79.1
384.11688	2.0
415.13892	100.0
416.14316	2.4
459.10565	0.3
478.26608	0.3
479.26611	0.7
479.33859	0.4
487.31229	0.3
505.31509	0.6
515.32190	1.9
559.34973	2.1
568.30377	0.3
577.18781	3.0
577.35590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	6.0
55.01873	7.3
55.05512	12.9
55.05758	1.8
56.96557	2.6
57.03440	5.6
57.07070	3.3
61.02918	4.2
64.59956	1.0
67.05508	33.6
69.03438	7.3
69.07074	13.2
71.04993	3.0
73.02927	6.4
75.04490	1.4
79.05498	45.2
81.03436	10.0
81.07063	36.2
83.04987	4.8
83.08627	8.2
85.02908	9.8
85.06532	2.5
86.09717	2.6
90.21385	1.1
91.03954	3.7
91.05486	42.1
93.07047	53.1
94.96169	1.2
95.04971	6.4
95.08614	24.0
95.09217	0.9
97.02892	5.8
97.06530	4.7
97.10179	2.1
98.20792	3.1
98.98463	2.5
99.04444	6.9
103.05494	2.2
104.10755	2.3
105.04559	2.1
105.07040	43.9
106.38129	1.2
107.04943	1.8
107.08601	33.7
109.02888	12.1
109.06524	2.9
109.10152	9.6
110.03667	4.8
111.04453	6.2
111.08056	2.2
117.07019	14.7
119.08585	40.0
121.06546	2.8
121.10152	25.0
123.08058	2.6
123.11705	3.9
125.09647	1.8
125.75409	1.3
127.03938	6.2
128.06226	1.5
129.07010	10.9
131.08563	18.3
132.99544	2.6
133.10147	34.3
135.08061	1.8
135.11690	26.9
137.06007	2.2
137.09644	1.4
141.07013	1.3
142.07838	1.4
143.08565	8.6
145.06514	1.7
145.10143	17.8
147.11702	34.8
147.12802	2.5
149.09624	5.3
149.13293	16.6
151.11128	2.2
155.00987	2.3
155.08507	1.8
157.10132	8.3
159.11710	18.5
161.09607	1.2
161.13266	25.8
163.11208	2.8
163.14867	5.7
169.10117	2.2
171.11710	12.2
173.13260	10.3
175.11229	2.8
175.14827	10.1
177.12781	2.4
178.03882	1.1
179.14386	1.6
183.11720	2.1
184.07339	3.8
185.13242	9.9
186.62677	1.2
187.14862	3.1
189.12769	2.7
191.00116	5.3
199.14772	5.7
201.16492	1.2
203.14406	1.8
209.01163	1.8
209.09666	1.2
209.13387	1.2
213.16383	4.4
217.15991	1.5
217.19505	2.2
227.12726	1.6
231.17433	2.3
231.21063	7.4
235.52538	1.3
241.19510	27.9
255.43050	1.3
259.20593	75.0
261.22137	1.4
275.19894	1.8
277.21628	7.1
283.20618	1.5
301.21606	2.4
333.24231	10.7
335.26126	2.4
346.26276	1.2
349.24045	2.1
351.25305	100.0
367.22687	1.9
375.25174	2.5
467.20798	2.6
485.22299	2.5
559.25427	6.7
559.35028	3.4
577.27185	4.9
577.36426	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	577.1917
Annotation	5'-demethoxy-6-methoxypodophyllotoxin 7-glucoside
Peak:m/z	Relative Intensity
55.05499	0.4
61.02917	0.2
67.05483	0.6
69.03405	0.5
69.07054	0.5
69.58664	0.5
69.59076	0.5
71.08625	0.2
75.44066	0.2
79.05487	0.5
81.03404	0.4
81.07029	0.7
83.08608	0.2
85.02883	0.5
86.06039	0.5
91.05487	0.3
92.51865	0.2
93.07002	0.3
95.08585	0.6
97.02876	0.3
97.06514	0.6
97.10156	0.2
105.01837	0.3
105.07040	0.2
109.10134	0.5
116.10714	0.9
123.11678	0.2
127.03915	0.3
135.04378	0.2
137.05894	0.2
149.13232	0.2
153.01816	0.6
186.59082	0.1
203.03430	0.6
204.10188	0.1
229.04930	0.6
230.11636	0.2
242.05699	0.3
257.04456	29.0
258.05206	3.0
259.06027	0.2
270.05356	0.2
271.06030	0.2
285.03900	0.7
286.04727	11.6
287.05499	12.7
297.04105	0.2
297.07495	0.4
299.05673	0.2
313.07062	0.3
316.21201	1.3
317.21494	0.7
325.07013	0.3
372.21777	0.2
383.11246	81.2
384.11575	0.5
414.28439	0.3
415.13870	100.0
416.14053	0.7
478.26547	0.2
479.26440	0.2
481.14819	0.2
507.31177	0.2
514.31622	0.2
515.31995	0.4
558.34180	0.2
559.34412	0.4
577.19141	3.8
577.35406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1914
Annotation	diandraflavone
Peak:m/z	Relative Intensity
55.05507	0.7
56.96563	0.4
57.03422	0.4
59.04977	0.7
61.02911	0.5
67.01894	0.3
67.05482	0.9
68.99797	0.5
69.03426	0.7
69.07072	0.7
69.19805	0.3
70.06578	0.6
71.05000	0.5
71.56623	0.3
73.02897	0.3
79.05479	0.9
81.03406	0.8
81.07043	1.3
82.07379	0.3
84.08146	0.3
85.02903	1.5
86.03239	0.3
91.03951	0.5
91.05476	1.4
93.07042	1.0
95.04967	0.7
95.08600	0.7
97.02892	1.1
97.06512	0.7
98.97581	0.7
105.07031	1.0
107.08584	0.5
109.06509	0.4
109.10152	0.4
111.00788	0.4
117.07050	0.3
119.08603	0.4
120.08171	0.4
121.10151	0.6
127.03929	0.6
129.07010	0.4
129.91696	0.3
131.04953	0.5
131.08551	0.7
133.10130	0.5
137.05952	0.6
139.03824	0.4
140.75304	0.3
141.06999	1.2
144.05690	0.4
145.04930	0.4
145.10118	0.5
153.01826	85.8
157.06505	0.5
159.08066	1.1
161.06026	0.5
165.01839	0.4
170.99628	0.3
177.05423	0.4
179.07243	0.3
181.50240	0.4
185.06065	0.4
187.07541	30.3
189.05460	25.3
199.63336	0.3
205.05031	0.7
213.05550	0.8
226.06310	0.6
227.06938	0.7
229.08673	0.6
231.08957	0.3
253.04932	0.4
254.05675	0.9
255.06555	2.7
255.09030	0.5
257.04492	0.7
265.04904	0.5
265.08603	0.7
267.06766	0.3
269.08176	0.7
270.05331	0.7
273.07596	1.1
281.04333	0.4
282.05209	19.5
283.06018	8.4
283.09650	3.7
287.05423	0.4
293.08078	1.7
295.06030	0.7
297.03879	0.9
297.07541	0.9
310.04752	1.4
311.05493	13.5
311.09167	10.4
321.07407	1.7
323.05441	0.7
324.06256	0.8
324.11618	0.5
339.08615	99.3
340.08929	0.7
345.93295	0.4
365.10132	1.7
383.11237	28.2
397.13016	2.1
406.11560	0.3
415.13873	100.0
416.14032	0.7
559.27283	0.4
576.40887	1.3
577.19312	5.9
577.29706	1.4
577.41406	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49646	0.2
55.01875	0.3
55.05488	0.4
55.74545	0.2
56.96553	0.3
57.03408	0.4
61.02452	0.2
61.02911	0.5
67.05516	0.9
69.03392	0.5
69.07067	1.1
70.06568	0.2
71.56511	0.3
73.02920	0.2
73.07079	0.2
79.05473	1.1
80.22462	0.2
81.03380	0.7
81.07050	1.9
82.53888	0.2
83.04960	0.2
83.08615	0.3
85.02853	0.7
85.06538	0.3
91.03938	0.3
91.05442	0.5
93.07020	0.3
95.04977	0.3
95.08596	0.9
97.02880	0.4
97.06030	0.2
97.06528	2.4
98.97536	0.2
105.07014	0.7
107.08557	0.6
109.02894	0.2
109.10109	0.6
119.08583	0.3
121.10096	0.3
123.11718	0.4
127.03881	0.4
130.03009	0.2
131.08630	0.3
135.04372	0.3
137.05956	0.2
149.01166	0.2
153.01814	1.4
157.61157	0.2
161.05965	0.2
177.07861	0.2
187.52983	0.2
197.94034	0.2
229.05022	0.2
229.07457	0.2
241.05035	0.2
257.04459	10.9
258.05273	2.9
259.05914	0.4
269.04303	0.3
269.10522	0.2
271.06021	0.3
273.13568	0.2
285.03976	0.3
286.04715	9.8
287.05496	36.9
297.03903	0.5
297.07437	0.3
313.07068	2.2
339.08701	0.6
355.11783	0.8
367.18134	0.4
374.16104	0.2
374.66129	0.5
383.11243	66.7
384.11682	0.4
385.18741	0.2
415.13864	100.0
416.14108	0.7
500.87134	0.2
506.28488	0.2
514.31006	0.3
515.32349	0.2
559.34607	0.5
577.18848	3.2
577.34241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.5
55.05501	1.5
56.05009	0.5
56.05837	0.7
61.02904	0.7
67.05502	1.5
68.05011	0.7
68.99770	0.6
69.03421	1.6
69.07070	1.0
70.06583	1.8
70.74923	1.2
71.04958	0.8
73.02914	0.7
79.05463	1.2
81.03414	1.3
81.07047	2.1
85.02890	2.4
86.09708	1.2
87.04472	0.6
91.03951	0.6
91.05489	0.7
93.07035	1.1
95.04975	0.9
95.08635	1.1
97.02872	1.3
97.06533	1.6
98.97573	0.6
107.04959	0.8
107.08618	0.9
127.03934	0.5
129.06973	0.6
131.04922	0.7
131.08612	0.6
133.10092	0.6
138.12814	2.8
141.07051	1.3
144.05698	0.8
145.10112	0.7
149.02338	9.2
149.09607	0.5
150.02696	4.3
153.01833	74.9
159.04466	0.6
175.07616	0.7
187.07549	25.7
189.05469	23.9
203.06929	0.6
204.07213	0.7
221.08075	0.9
222.08527	0.8
227.07036	1.1
229.08659	0.6
240.15230	0.5
241.08742	0.6
255.06499	2.7
256.06625	0.5
267.57730	0.5
271.02380	0.6
273.07541	1.4
282.05219	16.3
283.06021	7.7
283.09628	3.7
287.05402	0.9
293.08072	1.9
293.13824	0.9
294.14307	2.8
310.04642	1.6
311.05484	13.9
311.09146	10.2
321.07700	1.1
324.06488	0.6
339.08633	96.9
340.08978	0.7
345.14716	0.9
365.10101	1.8
383.11243	24.7
397.12872	1.2
415.13895	100.0
446.19315	1.9
577.18878	5.7
577.29895	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	577.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.2
55.05495	0.5
56.26762	0.2
57.03423	0.4
57.07049	0.2
57.25867	0.2
61.02896	0.5
67.05506	1.0
68.99776	0.2
69.03400	0.6
69.07078	1.3
71.04974	0.2
78.03425	0.2
79.05486	1.2
81.03408	0.5
81.07054	1.7
83.08583	0.6
85.02914	1.0
87.00830	0.3
91.05449	0.6
93.07018	0.5
95.08602	1.2
97.02875	0.5
97.06019	0.2
97.06528	2.4
97.10129	0.4
98.97565	0.2
105.07027	0.4
107.08542	0.4
109.06458	0.2
109.10124	1.0
111.08076	0.3
119.08508	0.2
121.10097	0.3
123.11729	0.4
127.03893	0.6
131.08543	0.2
135.04416	0.5
135.11659	0.3
137.05971	0.3
150.04645	0.2
153.01814	1.4
212.29790	0.2
229.04993	0.4
241.04958	0.3
257.04456	15.2
258.05258	2.7
259.05951	0.6
259.09543	0.2
285.03879	0.5
286.04706	9.4
287.05493	40.6
297.04016	0.3
297.07559	0.3
313.07108	0.6
339.08722	0.3
355.11862	0.3
374.16000	0.3
383.11240	62.4
384.11453	0.3
415.13870	100.0
416.14230	0.5
577.18787	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	576.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01860	0.7
55.05511	8.8
56.96557	0.3
57.03433	0.8
60.86217	0.3
61.02930	1.1
65.03934	1.1
67.05504	0.7
69.03436	3.3
69.07068	0.6
69.28630	0.2
69.92266	1.1
70.06592	1.4
71.04991	0.7
73.02912	0.8
73.06554	5.1
79.05481	0.7
81.03419	3.2
81.07059	1.3
83.05007	0.3
85.02908	6.0
86.09688	0.8
87.00839	1.8
87.04498	0.4
91.03954	0.6
91.05489	1.0
91.07620	0.6
92.05779	0.2
93.03391	0.3
93.07040	0.7
95.04976	0.4
95.08587	0.8
97.02902	3.2
97.06525	1.5
98.97567	0.3
99.04465	1.1
105.01875	1.3
105.07021	0.8
106.48814	0.3
107.08588	0.5
109.02881	2.5
109.10170	0.3
111.04444	0.4
117.07037	0.3
119.08586	0.6
121.02867	3.3
121.03909	0.5
121.10135	0.5
122.10571	0.3
127.03935	3.9
129.01868	0.3
129.07007	0.8
129.07855	0.2
131.08592	1.0
133.10121	0.3
135.08081	0.3
136.16554	0.2
137.05952	0.3
141.46257	0.2
145.05020	1.3
145.14006	0.2
147.04326	0.2
147.11674	0.5
149.02342	100.0
150.02795	0.3
153.01843	0.9
157.06526	0.3
159.02904	0.9
159.08160	0.2
161.05991	1.6
167.03426	1.0
175.07555	6.0
181.08600	0.3
185.06000	0.3
189.05519	0.3
190.05023	0.4
195.63467	0.2
203.07033	10.1
213.03911	0.4
221.08095	17.1
231.05070	1.0
259.09610	0.3
263.13879	0.3
275.09973	0.4
275.12790	3.4
293.13828	34.0
297.49072	0.2
311.05499	0.5
311.08972	0.3
314.81781	0.2
339.08774	0.6
370.10065	0.5
413.12265	0.4
414.12527	1.1
414.22458	0.4
415.13760	1.0
451.12381	0.4
469.13266	0.5
541.18860	1.3
576.28265	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	575.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.6
55.01863	7.1
55.05304	1.9
55.05514	18.2
57.03432	9.9
57.07073	11.8
58.19341	1.8
61.02909	7.2
61.42892	1.8
65.03928	2.8
65.26442	1.7
67.05174	3.2
67.05505	44.3
69.03083	2.6
69.03428	31.5
69.07069	38.0
69.98659	3.3
69.99050	4.5
70.06590	2.8
71.04980	7.0
71.08614	7.3
73.02888	5.9
74.59605	1.8
79.05494	26.0
81.03416	24.1
81.07058	100.0
83.04960	7.0
83.08620	23.9
84.87196	1.7
85.02905	48.4
85.06544	9.4
87.00821	18.1
87.04459	1.8
91.03941	2.4
91.05489	16.0
93.07050	44.8
95.04979	9.6
95.08608	86.9
97.02896	24.8
97.06538	11.5
97.10176	16.7
99.04462	9.3
99.08073	7.7
101.02381	2.5
105.01878	17.2
105.07044	21.0
107.04955	2.4
107.08596	32.5
109.02887	17.3
109.06498	5.2
109.09463	3.5
109.10162	51.1
111.04416	2.6
111.08066	5.1
111.11719	12.9
115.24924	1.8
117.01849	2.5
117.06988	3.6
119.08591	17.1
121.06480	3.4
121.10135	27.6
123.04430	3.2
123.08064	2.9
123.11718	28.0
125.09632	3.0
125.13254	3.5
127.03915	30.2
131.08530	6.2
133.10115	11.9
134.47130	2.2
135.11694	20.8
137.05983	4.1
137.09622	4.7
137.13237	12.0
139.11147	2.6
143.08578	3.1
145.04950	9.7
145.10106	5.5
147.07964	2.3
147.11685	12.8
149.01241	2.7
149.13264	34.3
151.11197	3.7
151.14809	9.7
153.12755	2.0
155.10681	4.0
157.10132	2.4
159.02902	5.4
159.11687	6.0
161.13245	6.7
163.14816	20.9
165.16336	2.7
165.87944	2.2
169.01357	2.6
173.04474	2.8
174.02373	1.8
175.14905	4.0
177.16371	7.1
177.86087	1.6
179.17937	2.3
180.87631	1.8
185.13301	2.0
189.16339	3.1
191.17993	4.2
200.23099	1.9
203.17964	3.2
217.19490	3.3
231.05072	5.6
247.24211	3.4
249.05893	2.7
257.19052	2.9
269.17563	4.3
271.17017	2.0
273.25714	13.7
279.26831	13.4
286.04581	2.3
287.05615	2.6
291.26819	26.4
297.04788	2.0
297.27753	2.1
309.24438	2.1
309.27759	21.1
327.25269	2.4
327.28763	2.8
349.23645	2.8
373.65555	3.0
399.29074	3.2
413.12311	15.2
413.21616	3.1
417.30182	4.1
521.30994	2.3
531.31256	7.3
575.21069	8.3
575.33405	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	575.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35920	2.1
53.03946	18.7
55.01870	9.8
55.05309	2.5
55.05516	28.9
57.03185	3.2
57.03442	33.6
61.02641	3.6
61.02929	40.6
65.03957	2.0
67.05508	74.1
68.84141	2.0
69.03432	85.6
69.07072	22.7
71.01344	7.2
71.04987	15.9
71.26167	5.0
73.02912	25.9
79.05494	53.6
79.36274	2.4
81.03420	95.1
81.06583	5.1
81.07059	95.4
82.91290	2.4
83.04982	40.3
83.08623	20.8
85.02910	70.1
85.06548	5.2
87.04489	5.7
91.03951	24.3
91.04894	3.1
91.05484	48.1
93.07043	70.2
95.04974	17.2
95.08608	30.1
97.02898	90.2
97.06525	15.8
97.10154	2.7
98.97601	2.9
99.04462	24.5
99.08093	5.6
101.02378	18.1
103.03945	13.4
103.05455	4.0
105.07037	24.9
107.04951	12.0
107.08592	39.1
109.02886	38.2
109.06502	6.1
109.10161	5.8
111.04446	21.4
111.08089	9.3
113.06003	3.6
115.03936	5.0
115.74701	2.1
117.07030	18.2
119.04946	2.6
119.08572	15.1
121.06490	10.9
121.10149	21.9
123.04458	5.2
123.08065	3.7
123.11723	5.7
125.06046	2.4
127.03926	51.7
129.05507	24.2
129.07024	8.2
131.04895	5.3
131.08574	29.0
132.90729	2.4
133.06525	5.3
133.10149	27.3
135.08037	5.7
135.11697	15.9
137.05960	5.5
139.07559	2.2
143.08521	3.8
145.04990	10.7
145.06470	4.5
145.10136	10.7
147.08092	4.6
147.11720	16.7
149.09616	5.6
149.13246	40.1
151.11160	2.0
155.07047	2.7
155.08543	3.2
157.05034	2.2
157.10110	5.8
158.99561	3.3
159.08063	2.6
159.11691	31.2
161.05968	3.8
161.13196	3.1
165.12708	5.3
169.04863	2.7
169.10037	3.6
171.06544	3.8
171.07942	2.7
171.11702	2.7
173.04471	5.4
173.13171	3.7
175.11227	5.8
177.12753	27.4
179.14330	4.3
183.06541	25.8
183.11748	3.8
193.12149	3.3
195.13821	49.8
201.07594	10.8
201.12697	3.3
213.13013	3.8
213.14850	21.2
219.13837	5.5
229.14256	3.1
231.13800	3.0
233.15495	5.3
235.13216	2.7
248.05437	2.7
249.14920	4.9
257.19080	3.5
261.14874	5.3
267.15927	6.0
269.17496	100.0
271.08310	2.5
275.16476	8.9
275.20029	8.7
285.14676	4.3
293.17389	5.6
297.17001	13.2
303.15921	8.8
311.18594	4.6
321.16986	9.6
325.62396	3.8
335.18585	4.2
339.18054	28.5
349.23669	4.2
353.19580	4.6
359.18512	2.7
365.19745	4.8
374.15945	5.5
377.19702	18.8
395.20657	42.0
413.12466	8.9
413.21701	88.8
557.25623	7.7
575.26727	38.2
575.34351	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	575.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46730	2.2
53.03960	14.4
55.01861	9.6
55.05309	2.0
55.05520	20.7
57.03437	26.8
57.07076	4.0
61.02927	26.9
61.59086	2.0
67.05181	4.0
67.05508	58.2
67.16472	1.8
69.03429	62.6
69.07072	31.7
69.22370	18.2
69.22782	4.8
71.01336	6.4
71.05005	9.9
71.08606	2.0
73.02916	18.8
76.93407	2.1
79.05492	38.7
81.03423	77.1
81.07059	100.0
83.04995	29.7
83.08208	2.4
83.08624	25.2
85.02907	61.2
85.06524	7.7
85.10227	2.3
87.00814	7.6
87.04463	2.5
91.03960	18.1
91.05480	32.3
93.06479	3.9
93.07043	61.2
95.04981	12.3
95.08607	51.4
97.02295	4.3
97.02895	69.7
97.06519	16.2
97.10171	7.8
98.97574	4.3
99.04461	23.0
99.08087	4.6
101.02363	7.1
103.03925	8.5
105.01871	2.8
105.07027	25.8
107.04939	9.7
107.08594	36.5
109.02893	25.4
109.06497	4.7
109.10151	23.9
111.04453	15.3
111.08075	6.4
111.11702	5.3
112.99117	3.6
115.03947	2.6
115.05437	2.5
117.07034	13.7
118.16657	2.1
119.04919	2.7
119.08578	16.5
121.06532	5.3
121.10141	26.3
123.04444	4.0
123.11717	13.6
125.09651	2.1
127.03922	43.8
129.05493	13.3
129.06981	5.3
131.00146	2.4
131.08578	20.1
133.06473	3.4
133.10153	17.7
135.08018	4.6
135.11710	19.1
137.05965	3.4
137.09599	4.3
137.13231	3.3
139.11195	2.6
141.06975	2.9
145.04970	12.2
145.06522	3.2
145.10132	8.0
147.08051	2.9
147.11694	15.8
149.09644	4.1
149.13268	38.2
157.10118	4.8
159.11641	20.6
161.09558	3.2
161.13243	4.7
163.14787	5.8
165.12772	2.8
166.04753	2.1
173.04446	2.6
173.13248	2.7
175.11177	3.2
177.12794	21.9
177.16425	3.6
183.06493	16.1
183.11681	3.7
189.12878	2.9
195.13812	39.8
197.13310	3.0
201.07570	7.3
201.12857	3.0
210.12492	1.9
213.14854	10.2
219.13875	3.3
244.03653	3.8
244.09627	4.1
257.19193	3.2
261.14801	5.2
267.16058	3.1
269.17484	62.3
273.25641	4.9
275.16479	5.9
275.19968	6.5
279.26944	3.0
291.26910	7.2
293.13358	5.4
293.17154	2.5
297.16986	4.3
303.15894	4.4
309.27798	3.5
311.18542	3.3
321.16980	7.4
325.12332	6.0
339.17987	22.4
349.23666	3.5
350.75009	2.7
353.19434	4.3
365.19754	3.1
374.15948	10.5
377.19604	11.0
395.20633	25.8
413.12827	11.1
413.21759	61.1
557.25873	2.8
575.26776	29.0
575.34607	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	573.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.7
55.01871	18.6
55.05513	31.6
55.17518	2.3
56.96540	4.1
57.03431	7.5
57.07080	3.6
61.02918	5.1
65.03941	3.2
67.05508	87.2
69.03433	3.7
69.07066	29.6
71.04989	3.4
71.08618	3.2
71.56947	2.2
79.05497	100.0
81.03414	13.2
81.07061	74.4
83.04992	16.6
83.08607	14.3
85.02884	8.3
91.05487	78.5
93.06476	5.5
93.07048	85.6
95.04993	16.9
95.08617	44.3
97.02898	5.4
97.06535	30.0
97.10175	13.9
105.04555	6.1
105.07036	69.4
107.04975	23.1
107.08611	47.8
109.06528	12.3
109.10154	20.5
111.08090	7.1
117.07012	18.6
119.08598	40.0
121.06500	7.1
121.10143	17.8
123.08077	2.9
125.09617	8.3
127.03864	2.6
128.06221	6.9
129.07008	17.8
131.08574	21.9
131.91461	2.7
133.06522	5.7
133.10147	25.4
135.08049	5.7
135.11685	9.0
137.05984	4.9
137.09561	3.5
143.08559	10.3
145.10135	24.8
147.08055	4.0
147.11710	44.0
149.09596	22.0
157.10150	6.9
159.11696	9.5
161.09648	7.4
161.13271	13.2
163.11171	13.4
165.12805	3.0
169.10133	5.8
171.11673	27.3
173.09688	3.3
173.11714	2.2
173.13274	6.7
177.12729	4.3
184.07280	4.1
185.13306	3.8
187.11279	3.7
189.11192	7.5
189.12782	8.7
207.13835	21.2
227.12790	20.6
229.19501	3.2
239.17886	4.1
247.20737	2.7
257.19019	9.5
275.20074	83.1
281.17490	50.5
293.21075	6.8
310.09332	2.5
349.23740	30.4
350.98947	3.2
377.23254	4.5
426.30457	3.1
432.56320	3.0
451.26999	6.1
461.29108	2.7
463.31366	2.6
481.33344	3.1
511.32452	10.5
555.36823	64.5
573.37256	12.9
573.48706	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	573.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13770	1.7
53.03949	11.3
55.01876	23.2
55.05271	2.2
55.05513	39.4
57.03447	10.7
57.07059	2.2
65.03928	4.9
67.05505	77.7
69.03411	5.0
69.07065	26.2
69.92716	8.6
71.04989	4.3
74.32900	1.8
79.05495	99.7
81.03416	8.3
81.07059	77.0
83.04993	14.7
83.08620	16.9
85.02925	2.0
85.06508	2.7
91.05482	84.7
93.07044	82.2
94.17335	1.6
95.04974	22.9
95.08611	43.1
97.06545	30.8
97.10155	13.3
98.21470	1.9
99.08059	2.7
103.05478	2.8
105.04491	3.4
105.07030	67.8
107.04956	21.9
107.08598	46.5
109.06511	12.7
109.10164	16.7
111.08088	6.1
113.09564	1.9
114.87244	1.7
115.05438	2.4
117.07030	20.1
119.08578	51.3
121.06512	7.1
121.10148	20.3
123.08076	7.6
123.11694	5.6
125.09602	10.4
128.06213	5.4
129.07001	17.3
130.07869	2.1
131.08559	25.1
133.06483	2.7
133.10135	33.4
135.08054	6.8
135.11684	7.2
137.09592	5.4
141.06998	5.4
143.08545	12.8
145.06487	2.4
145.10123	29.5
147.08051	6.1
147.11687	49.1
149.09610	32.3
149.13232	4.0
155.08554	3.6
156.09386	2.4
157.10120	6.1
159.11684	14.8
161.09653	5.0
161.13271	17.5
163.11159	11.8
169.10158	5.0
171.10237	3.5
171.11676	31.4
173.11891	2.6
173.13208	9.0
175.11171	2.3
175.14803	1.9
177.12714	3.5
179.14301	3.1
181.10130	2.6
183.11667	3.1
185.13257	2.9
187.11153	2.9
187.14780	1.9
189.11182	6.5
189.12794	7.9
193.72404	2.0
197.13277	5.0
199.14890	2.8
207.11877	3.0
207.13786	23.2
227.12782	22.7
229.19522	3.8
233.15384	2.2
233.18964	1.8
239.18010	3.5
247.20563	3.9
253.13448	3.2
257.18994	16.3
275.20065	100.0
279.15866	2.7
281.17474	55.2
291.19641	2.0
293.21085	7.2
295.62341	2.1
331.22580	2.3
336.73242	1.7
346.18954	2.0
347.19736	2.2
349.16864	2.2
349.23669	40.6
376.16873	3.2
377.23270	5.6
390.18100	4.0
439.53986	1.9
451.26849	4.7
459.30991	3.9
463.31580	1.9
475.30441	2.3
529.28430	2.7
537.35828	4.2
555.26691	3.8
555.36792	60.9
573.26978	6.9
573.37646	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	573.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01863	4.6
55.05311	1.5
55.05513	15.9
57.03421	4.1
57.07076	9.5
61.02915	2.8
65.03930	3.3
67.05174	2.3
67.05505	26.7
68.99787	2.0
69.03426	22.0
69.07072	25.9
69.57024	8.1
71.04987	5.9
71.08613	6.0
73.02907	4.4
73.25544	1.6
79.05064	1.9
79.05493	16.6
81.03419	21.3
81.06590	2.9
81.07060	58.1
83.04976	9.6
83.08623	11.0
85.02904	40.9
85.06546	10.6
86.09698	3.0
87.00832	16.1
91.05473	11.9
93.07047	27.3
95.04971	100.0
95.08610	44.5
97.02889	17.9
97.06512	11.9
97.10154	7.3
98.97561	1.3
99.04438	6.1
99.08082	6.4
104.10759	1.4
105.01852	12.0
105.07027	22.1
107.04929	1.7
107.08590	22.0
109.02883	9.9
109.06538	7.2
109.10161	29.8
111.04403	2.3
111.08073	4.6
111.11694	3.4
113.06009	4.2
115.05513	1.3
117.01796	2.7
117.07023	5.1
119.07818	1.6
119.08590	20.5
119.09389	2.4
120.08095	1.4
121.06506	3.4
121.10139	16.0
123.08065	3.3
123.11729	12.5
124.99982	2.2
125.09602	4.2
127.03912	22.7
127.11186	3.3
129.01877	2.0
129.06999	2.8
131.08548	7.0
133.10147	12.7
135.04329	2.0
135.08034	8.2
135.11710	10.1
137.05931	3.8
137.09596	3.7
137.13249	4.9
137.99982	1.5
139.11130	2.0
142.07872	1.6
143.08574	1.6
145.04997	6.6
145.10136	9.3
147.11671	12.3
149.05963	1.6
149.09645	3.3
149.13254	12.3
151.11125	2.6
151.14786	1.7
157.10155	2.0
159.02896	4.1
159.11710	10.4
161.13268	9.9
163.11150	3.0
163.14815	6.0
165.12747	2.7
173.13217	5.0
175.14819	4.3
177.12790	2.2
177.16429	4.2
184.07350	5.4
185.07741	3.6
186.07796	3.7
187.14845	3.4
189.16376	2.5
191.17860	1.4
201.16335	2.8
203.17982	1.9
215.17868	3.3
231.05025	4.0
233.18979	2.3
271.24219	7.1
277.25223	5.1
289.25259	30.6
295.26349	2.1
305.10638	1.8
307.26318	54.9
325.27371	13.8
349.27301	3.6
351.08884	1.9
379.08170	2.2
383.90445	1.7
397.27374	3.5
411.10690	6.5
501.28650	1.9
573.26727	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	571.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
55.01875	18.0
55.05513	37.8
57.03441	3.4
57.07058	5.3
60.30542	1.5
65.03925	2.7
67.05506	67.8
69.07072	39.6
71.04971	5.3
79.05490	42.5
81.07056	70.0
83.04978	4.4
83.08614	19.5
85.06570	3.1
91.05479	39.8
93.07047	43.5
95.04974	3.6
95.08609	55.0
97.06540	19.3
97.10160	13.0
98.20731	5.8
103.05453	3.1
105.07034	47.0
107.08596	34.6
109.06504	2.9
109.10160	26.0
111.08075	3.7
111.11680	1.7
113.09602	2.3
115.05410	2.8
117.07012	23.8
119.08584	40.2
121.06546	2.6
121.09342	1.9
121.10151	31.4
123.08047	4.2
123.11702	9.0
125.09644	9.8
128.06233	2.8
129.06999	16.3
131.08572	41.1
133.09138	2.1
133.10132	34.3
135.08008	1.9
135.11690	15.5
137.09592	2.6
137.13211	2.2
139.11186	1.9
141.07014	5.6
142.07738	2.6
143.08569	22.9
145.10126	38.2
147.11688	20.7
149.09607	3.8
149.13235	6.6
151.11156	1.7
153.09007	2.2
155.08578	10.9
157.10123	22.5
158.10860	2.3
159.11694	27.1
161.13211	12.1
167.08534	4.7
169.10155	14.6
171.11687	23.2
173.09685	2.1
173.11786	2.7
173.13243	21.6
175.14804	5.4
181.10104	7.0
183.11687	15.1
184.07436	1.8
185.13249	17.3
187.14828	9.1
189.11189	3.2
189.16360	2.4
195.11690	5.4
197.13263	9.9
199.14828	10.6
201.16394	7.3
203.17850	2.6
207.11794	2.0
209.13277	5.1
211.14824	6.1
213.16396	6.4
215.17926	3.0
223.14911	2.6
225.16400	5.4
227.17834	5.0
229.41895	1.8
235.17043	1.7
237.16330	2.5
237.18439	3.1
239.17947	3.3
249.18585	3.8
253.19360	2.3
257.18842	2.5
259.20413	1.8
261.18649	3.2
263.20224	4.2
275.20068	7.8
277.21692	11.6
279.23239	2.9
285.22159	1.7
287.20007	2.8
289.21661	4.6
291.23132	2.7
297.22131	2.7
301.21713	3.4
303.23199	5.0
305.24844	3.0
311.23795	3.0
313.21634	2.0
315.23117	4.6
317.24655	6.4
323.23648	2.3
327.23135	2.9
329.24686	3.1
331.26306	2.7
337.25220	2.2
341.24902	3.1
351.26993	2.3
355.26260	4.3
357.28036	2.4
369.27838	4.3
383.29456	2.4
385.30984	11.9
397.30942	2.1
399.32629	6.2
405.31073	1.8
411.32520	2.8
423.32562	13.5
439.35950	3.8
441.33929	8.9
447.33496	3.7
457.36624	5.2
459.34717	51.9
461.33545	3.2
465.33432	2.2
473.36661	3.8
483.34674	5.1
499.38739	2.9
501.35159	2.1
513.39313	4.7
515.08234	2.2
517.40167	10.0
535.41376	26.3
536.42236	2.9
553.42517	100.0
554.42627	4.1
571.43695	41.7
587.41748	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
55.05502	0.4
57.03453	0.3
61.02921	0.8
67.05496	1.3
69.03416	0.3
69.07058	0.6
71.56843	0.3
71.57279	0.3
73.02911	0.4
79.05496	0.8
81.07055	0.7
85.02914	0.9
86.09717	0.9
91.03951	0.9
91.05487	1.0
93.07046	0.5
95.04951	0.3
95.08618	0.6
97.02882	0.8
97.06520	1.0
98.90193	0.3
104.10749	1.3
105.07039	0.8
107.08601	0.4
109.10149	0.5
119.08595	0.6
121.10139	0.4
127.03952	0.3
131.08562	0.7
133.10127	0.3
135.11742	0.4
137.05992	0.3
143.02094	0.3
159.11743	0.3
174.46144	0.3
184.07411	1.3
185.89937	0.3
203.05379	0.7
219.57999	0.3
253.12979	0.3
259.07858	1.2
271.13971	0.3
287.05603	0.3
295.15366	0.2
331.10034	0.5
335.21899	0.4
354.19492	0.3
406.19247	0.3
409.25571	1.6
457.20471	3.6
471.22003	1.9
487.21436	0.6
499.60538	0.3
512.20972	0.9
522.65417	0.3
553.33771	0.4
571.30865	100.0
572.30920	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66768	0.7
52.88943	0.6
56.96562	0.9
61.02920	1.4
69.03433	1.6
71.55366	1.4
73.02917	1.9
73.44213	0.7
80.88206	0.7
81.03400	1.0
82.99877	2.5
85.02897	2.9
91.03963	0.9
97.02892	3.6
98.97589	5.4
101.00885	12.0
109.02884	1.4
110.97581	1.4
113.00856	3.6
115.02415	2.3
116.98613	2.1
119.01917	24.6
125.00970	0.9
127.02452	3.4
127.03936	0.9
128.98634	1.6
129.00307	1.2
131.00195	1.9
131.01891	9.3
133.03488	3.8
134.99702	0.9
137.02840	0.7
139.02417	1.4
140.98679	0.7
143.00197	1.2
143.01898	29.2
145.02440	0.9
145.03477	11.2
146.99629	1.2
147.01328	1.7
147.03079	2.6
147.53230	1.3
149.01213	3.7
149.02962	1.1
155.01880	20.8
156.03613	5.3
156.53841	1.7
157.03465	7.3
158.99699	2.4
161.02962	26.1
163.04541	1.4
167.01913	10.9
168.99806	5.4
169.03448	4.3
170.99730	1.2
171.01402	2.2
171.05035	3.0
173.01427	1.4
173.02960	24.3
175.04512	1.7
177.00700	1.9
177.02380	1.0
179.01866	5.4
181.03482	1.5
182.99693	1.2
183.01279	1.1
184.04521	0.9
185.02957	47.0
187.00923	4.0
187.04500	4.3
189.00722	2.0
189.02443	2.3
191.02258	1.0
191.03937	3.6
193.00206	0.8
196.04504	0.9
196.99294	2.2
197.02959	17.3
199.00848	3.9
199.04498	1.3
201.00702	2.9
201.02478	2.2
203.02190	1.8
203.04001	12.5
209.02959	2.0
211.00920	0.8
213.02499	1.6
215.00391	9.3
215.03992	10.0
217.01927	3.2
219.01695	2.4
219.03552	2.7
221.03236	2.2
221.05135	3.4
227.04007	10.1
228.05748	13.9
228.55913	9.6
229.01987	3.8
229.05902	1.4
231.03548	4.4
237.02686	1.2
237.06267	2.2
237.56444	2.3
239.03952	1.6
241.01987	1.2
243.01776	0.9
245.05081	100.0
247.03026	7.6
248.56918	0.9
257.05045	6.0
259.03024	1.9
261.02835	3.0
263.06107	11.1
271.03000	2.9
275.02524	3.4
275.06107	14.0
276.00473	0.7
279.04007	1.5
283.03354	0.9
287.02664	0.8
287.05988	0.9
289.04016	9.4
293.07068	3.3
299.02576	2.4
301.04041	3.1
303.05652	0.8
305.07266	9.7
307.05029	8.1
311.06619	0.9
317.03647	0.9
317.07092	1.0
318.08850	3.7
318.59137	3.7
319.05139	3.2
319.08887	1.3
321.04779	1.2
331.05096	8.4
333.06561	1.0
335.08130	5.3
343.05127	0.9
344.68494	0.9
349.06180	13.9
359.04593	3.8
361.06259	1.8
365.09311	21.0
377.05539	3.4
383.10196	0.9
389.71170	0.8
391.07251	5.4
399.11816	0.9
399.61563	3.9
400.03110	0.8
409.08374	4.2
411.09766	1.1
441.09439	0.9
455.10580	1.1
469.10226	2.0
481.10461	0.9
483.11578	1.4
511.11478	10.8
527.12659	2.2
539.10907	4.0
541.12097	0.9
571.13855	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	570.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29223	0.4
55.05503	1.3
56.05027	1.2
58.06603	1.1
60.08165	16.2
60.47025	0.4
62.02641	0.4
67.05500	1.9
69.07055	0.7
70.60852	0.8
70.61246	0.7
71.07376	6.5
79.05485	1.0
81.07052	1.6
83.08625	0.5
86.09706	50.9
91.05488	0.6
93.07034	1.1
95.08601	0.4
97.06506	0.5
97.10166	0.5
98.98452	4.1
104.10744	98.6
105.07056	0.7
107.08591	0.5
109.10149	1.1
109.87231	0.3
119.08603	0.4
125.00005	29.5
129.16849	0.4
167.24672	0.4
184.07339	100.0
229.14272	0.5
258.11194	0.5
294.95117	0.3
412.20993	12.5
441.91028	0.4
452.24121	9.5
516.30884	3.2
534.31934	13.6
552.33032	14.9
570.34064	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	569.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.2
55.01857	5.0
55.05262	2.4
55.05512	27.0
57.07056	1.7
59.04033	1.6
65.03941	3.3
67.05504	38.6
67.43954	1.7
69.07068	14.3
69.23558	3.5
69.23966	12.7
71.04962	2.7
79.05490	37.3
81.03407	6.0
81.07058	40.1
83.04979	8.6
83.08625	22.6
85.06555	1.9
87.04430	1.7
91.05478	48.7
93.06477	2.7
93.07044	45.3
95.04969	19.7
95.08606	28.5
97.06532	7.0
97.10161	5.8
99.08100	1.6
105.04500	2.0
105.07033	47.4
107.04955	10.8
107.08601	25.8
109.00696	1.5
109.06506	2.9
109.10167	12.2
111.08086	7.4
115.05434	2.9
117.07015	15.6
119.08584	37.9
120.09035	1.9
121.06497	4.5
121.10142	23.0
123.08065	4.4
123.11710	3.9
125.09612	4.3
129.06999	4.9
131.08562	23.2
133.06529	1.9
133.10139	31.9
135.08054	5.7
135.11705	11.6
137.09619	4.3
139.11240	3.0
141.06953	2.0
143.08539	7.0
145.10126	28.3
147.08069	2.8
147.11682	21.5
149.09625	28.1
149.13232	6.0
151.11162	3.9
155.08592	5.8
157.10107	7.1
159.11690	19.7
161.13280	9.8
163.11176	26.2
165.12735	3.0
167.07230	1.5
169.10165	6.2
171.11685	7.6
173.09598	2.7
173.13213	8.3
175.11147	3.5
175.14816	5.3
177.12767	3.9
183.11679	5.6
185.13255	4.5
187.11206	2.0
187.14818	2.3
189.11198	2.5
189.12810	2.7
191.10657	1.7
195.13792	1.6
197.13242	5.6
199.14780	2.1
205.15878	1.8
211.14752	2.7
213.16426	2.5
215.17924	2.6
223.13237	10.2
229.19424	3.1
237.05991	1.9
239.18001	7.5
241.19521	3.7
257.19073	13.3
259.20624	9.0
275.20071	100.0
276.20795	5.1
277.21661	18.9
293.21121	26.4
301.21689	3.0
302.35507	1.5
441.33496	5.7
460.74643	2.0
497.14700	1.7
533.39929	3.2
551.40887	5.3
569.42169	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	570.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29145	0.1
55.01908	0.1
55.05511	0.4
56.05036	0.5
57.03438	0.2
58.06622	0.4
59.07389	0.1
60.08165	6.1
61.02937	0.2
67.05496	0.6
69.03446	0.3
69.07064	0.3
69.30789	1.1
70.06606	0.2
71.07369	2.7
79.05481	0.4
81.03402	0.2
81.07056	0.4
83.08632	0.2
84.08147	0.2
85.02908	0.7
86.09705	29.0
86.20645	0.1
91.03992	0.3
91.05470	0.2
93.07056	0.2
95.04939	0.2
95.08601	0.2
97.02898	0.2
97.06500	0.2
98.98467	2.8
104.10746	3.4
105.07034	0.2
107.08559	0.3
109.10143	0.3
111.97792	0.1
119.08575	0.2
123.07924	0.1
125.00005	20.2
133.10028	0.2
137.05983	0.2
141.90366	0.2
147.11546	0.2
155.54010	0.1
158.91550	0.1
184.07339	100.0
185.07693	0.2
243.35698	0.1
258.11008	0.4
269.16998	0.2
293.13275	0.3
302.13751	0.6
303.03574	0.2
412.20975	2.4
452.24020	1.5
490.27921	0.3
491.10556	0.1
516.30994	0.3
534.31903	1.8
552.25372	0.2
552.33051	3.1
570.34094	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	569.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	4.6
67.05490	0.9
70.80501	1.1
71.79473	0.5
71.95286	0.4
76.10052	0.4
79.05534	0.4
81.07120	0.6
86.09699	0.5
98.20944	0.7
98.97586	8.0
105.10942	0.5
109.83910	0.5
110.97556	2.1
112.99130	6.6
116.98598	2.5
124.99129	0.9
128.98605	1.7
131.00168	7.9
143.00169	1.5
149.01225	5.0
152.34119	0.5
154.01743	0.5
158.99678	3.1
161.01074	0.6
170.99670	0.5
172.02783	0.8
173.01237	1.5
177.00703	2.6
184.07304	1.0
185.01266	0.6
191.02293	0.6
199.02771	1.3
203.02315	0.7
217.03917	0.8
219.01891	0.9
233.03459	0.6
237.03043	0.7
256.45099	0.5
267.36240	0.5
275.04395	3.0
281.10590	0.4
293.05432	7.7
311.06464	1.2
315.16360	5.2
316.06885	0.6
329.67780	0.5
333.17328	10.5
351.18457	5.3
356.19168	0.7
359.23425	0.4
374.19992	0.5
375.18466	0.7
393.19589	1.3
551.25427	1.9
569.27142	100.0
570.27167	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94008	0.2
55.05485	0.3
68.01166	0.3
69.35276	1.3
69.35686	0.9
70.86477	0.3
71.07373	0.3
73.02917	0.3
86.09715	0.3
92.32822	0.3
107.61220	0.3
136.33289	0.2
157.04637	0.3
177.22574	0.3
184.07327	0.3
185.04205	0.6
201.03780	0.3
201.46744	0.3
203.05283	1.1
253.12878	0.3
259.07935	0.9
323.34280	0.4
331.10068	0.8
407.24030	1.9
440.46011	0.3
457.20609	2.0
471.22018	1.8
487.21356	0.7
569.29309	100.0
570.29456	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42578	0.4
51.77969	0.5
56.96563	4.4
69.07078	0.5
70.26617	0.9
70.26972	1.3
83.05845	0.4
84.96043	0.7
85.54784	0.4
91.05423	0.6
98.21101	1.0
98.97577	6.0
110.97575	1.4
112.99128	6.6
112.99844	0.6
116.98633	1.8
128.98627	1.2
131.00162	6.0
132.36299	0.5
143.00156	1.4
149.01237	3.7
154.01825	0.5
158.99713	2.4
159.51816	0.5
161.01210	0.6
167.02347	0.7
169.65562	0.4
170.87573	0.4
173.01268	0.9
176.16591	0.5
177.00760	1.9
184.07361	0.7
185.01268	0.8
191.02318	0.7
198.31619	0.4
199.02786	1.1
203.02318	0.7
217.04019	0.7
219.01746	0.5
275.04306	2.5
293.05426	5.8
311.06497	1.5
315.16315	4.3
333.17398	8.9
351.18365	4.3
356.18893	0.8
393.19461	1.6
551.25195	1.8
569.27179	100.0
570.27551	1.2
599.49377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71861	0.3
51.36380	0.4
55.01871	0.5
55.05496	1.1
56.05022	1.1
57.03418	0.6
58.06599	1.5
60.08165	18.1
67.05498	2.2
69.03432	0.5
69.07064	1.5
70.06587	0.9
70.73149	1.1
71.04998	0.4
71.07379	6.0
79.05477	2.4
81.03438	0.4
81.07051	2.5
83.04971	0.5
84.08131	0.6
85.02890	0.6
86.09708	54.4
87.74648	0.4
91.05499	1.1
93.07040	1.5
95.04985	0.4
95.08614	1.3
97.06553	1.0
98.20816	0.5
98.98466	3.5
104.10748	97.7
105.07045	1.3
107.08596	1.7
109.10187	1.8
119.08576	1.2
125.00008	31.0
125.09603	0.5
131.08585	0.7
133.10130	0.7
135.11653	0.4
145.10129	0.5
147.11732	0.8
152.26324	0.4
157.10094	0.6
171.11673	0.6
184.07344	100.0
243.20560	0.4
258.11032	0.7
259.12170	0.5
262.21329	0.4
267.19604	1.7
271.06015	0.7
273.21500	0.4
285.20578	1.2
287.05353	2.2
303.21655	0.6
321.28238	0.4
392.10254	0.4
412.20947	5.2
434.22931	0.6
452.24149	10.0
514.29218	2.7
532.30365	9.1
550.31421	16.1
568.14648	1.1
568.32501	19.8
585.12781	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.05511	11.6
57.07086	6.1
59.04981	1.8
65.03943	3.1
67.05510	19.8
69.03422	1.9
69.07069	13.4
70.73447	1.2
70.73763	2.2
71.05004	1.5
79.05496	23.0
80.06292	1.9
81.07060	34.4
83.04975	2.8
83.08630	5.6
85.06551	3.4
91.05484	38.7
92.06289	2.8
93.07047	52.5
93.07638	2.9
94.07862	2.2
95.04975	35.1
95.08612	28.6
97.06520	2.9
97.10155	1.4
103.05489	3.4
105.07034	80.4
106.07832	3.6
107.08597	46.2
108.09437	1.3
109.06528	5.7
109.10155	18.7
111.08101	1.5
115.05407	5.9
116.06284	2.7
117.07017	26.6
118.07836	1.8
119.08582	100.0
120.09396	8.2
120.21947	1.3
121.06531	2.4
121.10142	30.2
121.71076	1.1
122.10875	1.7
123.08077	14.6
123.11698	6.9
125.09605	2.2
128.06245	10.3
129.07005	18.8
130.07803	10.7
131.08575	49.2
132.09384	9.0
133.10135	53.5
134.10901	5.8
135.08057	4.4
135.11696	19.9
137.09624	6.3
138.10405	7.9
139.11185	1.8
141.07011	6.7
141.98074	1.2
142.07791	15.5
143.08569	42.9
143.25015	1.2
144.09367	13.2
145.10126	85.9
146.10870	5.2
147.07993	2.3
147.11700	24.9
148.08881	1.4
148.12468	1.3
149.09680	4.7
149.13292	4.4
151.11188	2.4
153.06998	2.1
154.07759	3.1
155.08565	15.6
156.09344	19.2
157.10144	42.9
158.10931	12.7
159.08043	2.2
159.11702	37.3
160.12474	3.9
161.09631	5.9
161.13275	8.4
163.11174	3.4
165.07030	4.9
166.07869	3.0
167.08557	10.8
168.09370	4.9
169.10133	26.5
170.10881	8.3
171.11700	32.5
172.12448	7.2
173.13266	31.3
174.14127	2.1
175.11230	1.7
175.14839	17.9
177.12788	5.4
178.07700	1.3
179.08566	9.2
180.09325	5.3
181.10123	13.5
182.10936	8.6
183.11685	25.1
184.12486	6.3
185.13268	26.8
186.14064	5.2
187.14821	16.4
189.12810	2.7
189.16495	1.4
191.08524	1.5
191.14351	10.3
192.09322	2.0
192.15114	3.2
193.10081	7.0
193.15947	2.1
194.10895	8.7
195.11681	18.1
196.12538	7.6
197.13271	26.0
198.14088	5.8
199.14854	10.8
200.15593	2.0
201.12840	3.6
201.16383	7.2
203.14398	2.8
205.10165	1.8
205.15892	2.5
206.10927	3.8
207.11737	10.4
208.12500	4.7
209.13268	24.0
210.14064	4.5
211.14842	13.4
212.15509	2.5
213.12834	1.5
213.16415	4.8
215.14368	1.9
217.15952	5.8
219.11751	2.1
219.17615	2.0
220.12526	3.0
221.13275	9.7
222.14053	4.4
223.14845	11.0
224.15628	4.9
225.16389	8.6
226.17130	4.5
227.18042	3.1
229.15953	1.5
230.16943	1.4
231.11702	2.4
231.17578	1.9
233.13329	3.5
234.14111	2.1
235.14882	7.2
236.15546	2.3
237.16367	8.7
239.17982	6.0
240.18633	1.5
241.19582	2.7
242.20467	1.4
246.13989	1.8
247.14841	3.6
249.16426	5.1
251.18034	4.1
253.19495	2.2
255.17648	1.7
258.14093	1.7
259.14801	2.7
259.20670	3.8
261.16428	3.6
263.18002	4.9
264.18863	2.0
265.19598	6.4
267.17581	2.4
267.21124	1.7
269.19067	2.0
272.21408	2.4
273.16379	2.8
275.17889	2.6
277.19360	2.8
279.21094	3.1
281.19037	2.3
283.20663	2.9
283.26486	2.1
284.21127	1.6
284.29495	2.4
285.22202	2.5
291.21045	2.4
296.21390	2.0
297.22202	2.7
305.22784	1.6
311.29382	3.1
319.24188	1.6
320.25046	1.6
323.23703	5.0
337.25137	3.5
338.26038	50.0
349.25156	1.9
351.26910	2.6
362.26114	1.6
415.30026	1.5
420.30234	3.8
429.31412	1.8
430.32401	14.4
458.35266	2.8
476.36548	27.0
489.37222	2.1
550.41730	1.6
568.42810	48.6
568.55963	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	568.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.2
55.05513	0.4
56.05033	0.5
57.03446	0.2
58.06633	0.6
59.07374	0.2
60.08168	6.4
61.02936	0.2
67.05508	0.9
67.06612	0.2
69.03432	0.4
69.07065	0.4
70.06583	0.2
71.04997	0.2
71.07377	3.3
71.56471	0.2
71.99028	0.2
73.02931	0.2
79.05497	0.6
81.03409	0.3
81.07068	1.3
83.08646	0.2
85.02914	0.4
85.06541	0.5
86.09708	30.8
91.05489	0.7
93.07043	0.6
95.04947	0.3
95.08595	1.1
97.02875	0.5
97.06526	0.6
98.97600	0.3
98.98473	2.5
99.08059	0.2
100.11272	0.3
104.10744	4.2
105.07039	0.8
107.08589	0.8
109.06560	0.2
109.10145	0.8
119.08575	1.1
121.06507	0.3
121.10139	0.6
123.11755	0.4
123.48062	0.2
125.00008	20.4
125.09583	0.2
127.03949	0.2
131.08568	0.5
133.10130	0.8
135.11755	0.2
137.05972	0.6
143.01019	0.2
143.08542	0.2
144.13887	0.2
145.10138	0.6
147.04413	0.3
147.11705	0.3
148.07550	0.2
149.82298	0.2
157.10121	0.3
159.11717	0.4
161.06071	0.2
163.14798	0.2
164.07094	0.3
173.13275	0.5
177.16266	0.2
180.59601	0.2
184.07344	100.0
185.13292	0.3
187.14804	0.2
189.12688	0.2
191.14326	0.4
197.13284	0.2
201.16231	0.2
203.14291	0.4
203.17935	0.6
215.05002	0.2
215.14252	0.3
217.15981	0.4
221.18968	0.5
228.96240	0.2
239.20111	0.4
253.14424	0.4
258.10831	0.4
261.14819	0.2
301.07080	0.4
383.16406	0.6
412.20914	1.7
452.23950	0.8
487.30240	0.2
514.28943	0.3
517.92554	0.2
532.30457	1.2
550.23859	0.2
550.31378	2.5
568.32623	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81449	0.3
56.05026	0.7
57.04618	0.3
57.05817	0.4
60.04521	1.3
67.05502	0.5
69.03432	0.4
69.07069	8.1
70.06582	0.6
70.83921	0.8
75.05610	2.1
80.28049	0.2
81.04542	0.4
82.05344	0.3
82.29919	0.2
83.06107	3.9
84.04503	0.6
85.02892	0.7
85.06542	1.2
86.09705	100.0
91.05485	0.8
93.04528	2.8
93.07083	0.3
95.06087	2.9
97.02862	0.3
99.05579	0.3
102.05552	0.7
107.08573	0.4
110.07166	63.6
111.05560	0.4
112.03966	10.4
119.08559	0.3
121.10133	0.3
127.05064	0.3
130.05019	0.6
131.08594	0.9
133.10158	0.3
133.31059	0.3
139.05025	1.4
141.06584	0.6
143.11794	8.0
145.10114	0.4
149.09621	0.7
149.85667	0.2
156.07686	72.7
163.11169	0.6
166.06142	1.2
167.10730	0.2
169.06081	5.3
178.13438	0.4
187.07129	0.6
191.10683	0.9
207.16089	0.4
209.11769	1.2
209.15144	0.3
223.15611	0.4
224.13901	0.5
224.80833	0.3
227.12761	2.9
234.12376	0.5
236.14049	0.4
251.15036	2.7
254.14980	2.9
269.13623	0.2
269.16092	16.7
272.16071	6.4
300.15546	18.1
310.65466	0.3
334.97470	0.3
357.71484	0.3
374.14227	0.3
382.24570	0.6
413.23935	3.7
439.26535	1.5
532.28839	0.5
550.29816	2.0
568.30902	48.1
569.30640	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01878	1.4
55.05507	3.0
56.05030	2.3
57.03438	3.8
58.06595	0.7
61.02930	10.3
67.05501	4.7
68.05019	0.7
69.03084	0.8
69.03433	11.9
69.07073	3.7
69.81910	0.7
69.90598	0.7
70.06602	5.5
70.79830	2.0
71.01376	1.0
71.04990	2.8
72.00135	0.6
72.08166	1.1
73.02926	5.9
73.82848	0.6
79.05500	6.4
80.05037	1.8
81.03423	19.0
81.07058	7.4
82.06590	1.5
83.04993	3.6
83.05391	0.7
83.08627	6.3
84.04510	6.2
84.08144	2.3
85.02426	1.0
85.02907	13.8
85.06550	1.3
86.06070	27.3
87.04469	18.0
91.03965	6.8
91.05485	4.9
93.07039	6.6
94.06563	1.1
95.04975	7.0
95.08611	3.9
96.08147	1.2
97.02891	8.9
97.06536	6.1
98.05426	1.1
98.06062	17.7
98.06674	1.5
98.09734	0.6
98.97625	0.7
99.04475	2.1
101.02387	1.8
102.05558	2.2
104.07111	20.4
105.07036	4.8
107.04971	1.6
107.08578	4.1
109.02857	1.2
109.06535	1.6
109.10168	1.4
110.06051	1.0
110.07228	0.7
111.04436	1.4
111.08092	2.2
112.07598	8.2
115.03912	0.9
115.05471	0.8
117.07024	1.5
119.08588	3.9
120.08099	1.1
121.06553	0.7
121.10125	5.6
122.06068	0.8
123.04426	0.6
123.08118	1.2
124.07574	3.0
125.09614	0.9
126.05502	3.4
126.09178	1.1
127.03929	2.8
129.07039	1.9
131.08551	5.1
133.10141	2.3
135.11786	0.8
136.07648	0.8
137.05975	1.1
138.09152	1.3
138.12790	2.3
140.07068	2.2
142.08670	2.3
145.04910	1.2
145.10155	0.8
147.08081	1.3
147.11726	3.0
148.07588	2.0
149.09622	18.1
149.13234	1.3
150.09193	0.9
154.08627	1.3
157.10104	2.0
158.08093	4.7
159.11690	1.1
163.11211	0.7
165.12802	2.3
166.12325	1.5
173.13203	1.0
175.11188	5.3
177.12823	1.1
182.15440	1.7
184.13354	2.7
191.14429	0.7
193.12256	18.4
195.13812	1.4
206.15419	1.3
209.11771	2.4
209.15401	2.2
210.14886	6.9
210.16721	0.8
211.13254	4.0
224.16576	1.6
227.12732	1.2
233.11960	0.9
234.15030	1.5
236.39563	0.6
250.14233	1.1
250.18144	2.3
252.15977	7.9
253.09892	0.6
258.17050	0.9
260.16489	2.4
267.15927	11.2
268.19067	1.3
278.17514	7.2
285.16974	19.8
296.18625	2.8
302.19821	1.1
309.16998	1.3
326.19644	0.9
344.20682	9.1
360.23746	1.1
362.21729	13.3
370.22327	4.6
388.23303	58.6
431.55081	0.7
506.25772	1.3
524.27032	1.7
532.27576	1.4
550.28619	100.0
551.28986	0.9
568.30267	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	567.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.1
55.05274	4.2
55.05507	21.1
57.07073	5.9
61.17088	3.0
65.03932	3.5
65.15155	2.8
67.05510	35.0
69.03442	5.5
69.07064	23.1
69.25337	25.6
69.98963	2.7
77.71996	3.7
79.05500	33.8
81.07065	64.5
83.04980	8.6
83.08614	13.9
84.41153	3.5
91.05482	50.5
93.06472	6.0
93.07047	74.5
95.04983	8.2
95.08606	53.2
97.06510	6.6
97.10181	4.0
98.21550	7.7
105.04565	4.6
105.07037	89.1
107.04897	3.5
107.08601	63.7
109.06543	7.0
109.10161	48.3
115.05457	3.9
117.07033	22.3
119.04846	3.6
119.08587	89.3
121.06490	8.6
121.10158	69.8
123.08039	7.0
123.11739	27.4
124.17700	3.0
125.09680	3.5
128.06238	8.7
129.06993	14.1
130.07822	7.5
131.08582	38.4
133.10133	76.7
135.08035	6.1
135.11693	57.5
137.09624	8.9
141.06975	5.3
142.07819	17.3
143.08586	31.2
144.09361	5.8
145.10126	71.2
146.10597	4.1
147.08008	8.8
147.11703	31.4
149.09648	8.3
149.13252	7.9
151.11134	7.2
153.06975	3.0
155.08545	10.2
156.09337	13.9
157.10135	56.5
159.08101	5.1
159.10631	4.2
159.11729	43.0
161.09628	7.0
161.13216	12.5
163.11182	5.4
165.06995	6.7
167.08542	10.0
168.09348	4.3
169.10129	28.7
171.11719	33.4
172.12386	4.4
173.13292	38.4
175.11418	3.9
175.14825	34.4
179.08553	11.6
180.09320	6.0
181.10162	16.7
181.11447	3.2
182.10930	9.5
183.11699	24.2
184.12306	5.2
185.13239	23.6
187.14861	23.0
189.12903	3.8
189.16397	4.5
191.14308	6.1
193.10170	15.9
194.10791	6.6
195.11737	23.4
196.12402	5.2
197.13297	23.8
199.14868	16.3
201.16397	14.0
205.10234	5.1
206.11069	7.6
207.11673	21.0
208.12354	4.5
209.13297	25.1
211.14769	17.5
213.12679	3.9
213.16321	10.0
215.17993	5.8
217.15860	3.8
218.11006	5.0
219.11679	6.9
220.12518	6.9
221.13283	16.1
221.15216	4.5
222.10370	3.3
222.13960	5.4
223.14877	18.6
225.12697	7.2
225.16422	10.3
227.14459	3.8
231.11647	6.5
232.12383	4.9
233.13234	11.6
235.14804	14.2
237.12834	3.7
237.16400	10.5
239.14319	5.2
239.17946	7.0
241.19543	7.5
243.21017	3.6
245.13255	11.6
246.14023	7.1
247.14818	12.1
249.16403	9.8
251.18057	5.5
253.19582	4.8
255.17262	3.7
257.13165	6.6
257.19031	5.9
259.14792	10.9
261.16422	9.4
262.17059	4.0
263.17960	10.8
265.19519	7.7
271.20288	3.4
273.16434	5.9
275.17825	6.2
277.19571	7.8
287.17981	6.1
289.19504	7.0
291.21136	7.1
307.20313	5.3
309.21869	4.3
319.23831	3.6
335.23602	6.3
337.11752	3.4
343.24289	6.5
347.23782	4.3
349.25156	6.2
363.27057	4.2
373.25110	5.4
401.28015	3.8
411.30682	7.3
427.29922	8.1
429.31689	15.6
549.41040	42.8
567.42004	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.3
55.01864	8.0
55.05511	42.8
56.96576	2.8
57.03442	12.3
57.07076	4.2
59.04975	2.0
60.08158	6.7
61.02912	2.7
62.77332	1.7
64.79491	1.5
65.03929	4.7
67.05505	71.9
68.02010	1.6
69.03421	7.8
69.07069	39.7
69.98578	4.5
69.98975	3.1
70.75159	1.7
70.75611	1.6
71.04982	8.5
71.07375	3.7
72.69643	1.5
73.02917	2.1
79.05495	56.1
81.03425	14.3
81.07057	78.1
83.04992	7.4
83.08618	24.0
85.02906	4.5
85.06546	6.3
86.09712	25.5
87.10035	6.0
91.03979	1.7
91.05483	71.8
93.07045	64.9
95.04975	10.5
95.08607	51.1
97.02857	2.3
97.06536	25.5
97.10165	18.0
98.98454	2.2
99.08093	4.8
103.05503	3.4
104.10747	51.1
105.04509	2.0
105.07032	83.1
105.11083	11.8
107.04959	6.4
107.08598	43.2
109.02874	2.9
109.06522	23.0
109.10155	23.2
111.04446	1.7
111.08097	5.9
111.11686	1.6
113.06000	2.3
115.05466	3.5
115.51729	1.6
117.07027	28.2
119.08579	59.0
121.06516	6.0
121.10134	21.9
123.08087	6.9
123.11738	4.7
125.00012	16.8
125.09625	11.7
126.00420	2.0
127.03932	2.8
128.06241	7.9
129.07007	18.6
130.07823	2.6
131.08565	40.9
133.10132	44.9
133.11087	3.0
135.08063	8.0
135.11697	11.1
137.05983	2.1
137.09660	4.1
139.11182	1.7
141.07019	12.2
142.07791	5.9
143.08569	24.9
144.09393	2.6
145.06471	2.9
145.10124	34.3
147.11679	29.2
149.09653	7.7
149.13295	6.1
151.11185	2.4
153.07007	2.8
153.12776	1.7
154.07761	4.0
155.08569	20.0
156.09308	4.4
157.10123	21.8
158.10989	1.8
159.08133	5.3
159.11674	23.1
161.09669	5.3
161.13229	10.5
163.11209	3.1
165.06912	1.8
166.07828	2.1
167.08551	9.8
168.09372	3.8
169.10141	25.0
170.10959	1.7
171.11691	22.9
173.09627	3.6
173.11871	2.8
173.13251	11.9
175.11172	3.0
175.14899	2.3
177.12811	5.3
179.08580	5.3
181.10127	11.7
182.10913	3.4
183.11694	22.4
184.07339	42.1
185.07726	9.2
185.09575	2.2
185.13287	17.3
187.11134	2.9
187.14844	2.2
189.11279	5.9
193.10143	4.2
195.11740	13.0
195.13608	3.0
197.09612	2.3
197.13254	14.8
199.14871	6.5
201.12753	2.5
201.16484	3.2
203.14346	3.6
205.10263	3.3
207.11734	7.5
209.13264	9.2
211.14771	9.8
213.16406	2.6
217.15849	2.3
219.11765	1.8
219.13918	1.8
219.17586	1.8
221.13333	9.1
221.15292	3.5
223.14896	7.7
225.16467	4.2
227.14348	1.7
233.13271	2.3
235.14804	4.3
235.16983	2.2
237.16446	4.2
239.17937	8.7
246.14119	2.0
249.16452	3.1
249.18724	1.9
256.54434	1.7
257.16379	2.0
257.19058	13.6
261.16345	2.4
273.18591	7.6
275.20078	88.2
277.21753	7.7
283.17172	2.9
287.20193	3.1
291.19525	12.7
293.21344	2.0
297.18768	4.0
299.19995	3.5
307.20746	2.4
311.20178	3.0
313.21603	3.3
323.20258	2.4
325.21634	4.0
327.23236	2.4
331.16037	2.0
337.21512	3.0
339.23315	2.2
349.16986	3.7
353.24850	4.1
363.27072	2.2
365.24765	3.0
381.27954	16.2
395.29636	2.5
407.29596	2.6
415.23190	1.9
419.29587	4.7
423.27634	2.8
455.31610	8.2
457.31741	2.0
461.31018	2.4
477.33731	4.1
479.32458	2.3
495.34476	9.8
509.36340	2.8
513.37469	5.0
531.38251	14.0
535.32404	7.8
549.32440	3.4
549.39716	32.1
567.25519	9.8
567.32538	15.6
567.40576	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	1.0
51.48767	0.7
53.03931	3.1
55.01873	6.6
55.05511	23.5
56.96553	1.2
57.03425	1.6
57.07062	1.8
58.72064	0.9
65.03959	1.5
67.05505	28.2
69.03424	2.7
69.07070	20.0
70.80253	2.2
71.04991	3.2
75.06557	0.9
79.05493	24.8
81.03411	3.4
81.07059	29.4
83.04964	3.1
83.08625	14.0
85.02911	1.2
85.06545	2.2
85.49741	0.8
91.05479	27.9
93.07048	19.7
95.04955	4.2
95.08611	21.0
97.02946	1.2
97.06545	7.6
97.10169	13.8
99.08081	1.4
101.06021	0.9
103.05460	1.2
105.07032	32.2
107.04969	3.8
107.08600	14.2
109.06511	3.1
109.10165	11.2
109.33471	0.7
111.08086	2.8
115.05457	2.6
117.07022	11.7
119.08583	23.9
121.06512	2.7
121.10139	8.3
123.08081	2.9
123.11688	2.6
125.09651	9.2
128.06226	2.6
129.07010	9.4
131.08568	15.8
133.06499	1.0
133.10133	25.4
135.08061	2.8
135.11655	5.0
135.14937	0.8
137.09662	1.2
138.28491	0.8
141.07008	5.3
142.07785	4.0
143.08569	14.0
144.09346	1.1
145.06482	2.8
145.10118	18.5
147.08099	1.8
147.11696	9.0
149.09616	3.8
149.13283	1.7
150.46036	0.7
153.06978	2.0
154.07777	1.3
155.08572	11.9
156.09380	1.0
157.06529	1.6
157.10130	11.6
159.08096	2.8
159.11707	10.9
161.09653	1.6
161.12033	0.9
161.13297	3.5
163.11249	2.9
165.07014	1.3
167.08519	5.4
168.09346	1.8
169.10124	11.6
171.08087	3.0
171.11671	9.7
173.09583	1.7
173.11853	1.3
173.13226	5.3
175.11308	1.8
175.14871	1.0
177.12743	1.2
179.08598	2.3
180.09364	1.7
181.10118	6.4
182.10883	1.3
183.08078	1.1
183.11696	12.5
185.09610	1.6
185.13251	7.3
187.11205	1.8
187.14844	2.0
189.11249	4.6
189.12750	1.3
193.10181	2.7
195.11702	7.0
197.09669	1.4
197.13293	9.5
199.11240	2.2
199.14796	4.1
201.16539	1.0
205.10085	0.9
205.11960	0.9
207.11751	2.3
209.13361	5.2
209.15010	1.0
211.11220	1.2
211.14743	5.4
213.12733	1.3
213.16418	2.2
219.11800	1.4
219.13812	0.9
221.13275	2.7
221.15347	1.0
223.11305	1.1
223.14838	3.6
225.12773	1.2
225.16434	3.1
227.14459	1.3
229.19508	1.6
233.13324	1.0
235.14896	2.1
235.17062	0.9
237.16447	2.7
238.33905	0.9
239.14322	1.2
239.17897	4.5
241.16025	0.9
243.17369	1.1
249.16412	1.2
249.18565	1.0
251.18111	1.3
253.19560	1.0
257.19012	5.1
261.18640	1.0
263.17776	0.9
263.20294	0.9
267.17603	1.0
271.17102	1.0
273.18619	2.1
275.20071	48.8
277.21680	1.3
284.12823	1.4
285.10162	1.5
287.20239	1.4
291.19739	2.4
297.18445	1.1
299.19904	1.3
309.21939	1.2
311.20166	2.0
313.21701	3.1
315.19519	1.0
321.22192	1.4
325.21814	1.5
327.23279	2.2
337.21555	1.4
339.23325	1.3
341.20898	1.7
341.24829	1.2
355.22705	3.7
363.26981	1.4
367.17831	1.3
367.22583	1.1
369.24155	1.7
376.93185	0.9
379.30124	2.1
381.27927	16.0
383.25671	1.2
393.28018	1.2
395.29559	1.5
405.28296	0.8
419.29565	1.9
437.30630	2.1
455.31586	9.8
461.30316	1.2
479.31287	1.2
480.32117	0.9
497.32578	5.3
498.33511	2.2
499.34036	1.1
503.39532	1.0
513.37250	3.8
531.30676	1.3
531.38135	8.1
549.39410	22.0
567.20831	7.3
567.40448	100.0
568.40729	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
56.96532	0.3
60.08146	0.6
67.05505	0.9
69.80744	1.3
71.07361	0.5
79.05476	0.5
81.03422	0.3
81.07070	0.6
85.02903	0.4
86.09704	3.0
87.10036	0.3
93.07040	0.4
97.02898	0.3
98.97604	0.3
104.10738	1.3
105.07014	0.3
107.08587	0.5
109.10174	0.4
119.08614	0.3
121.10206	0.3
122.66080	0.3
125.00021	1.8
126.00297	0.3
165.28940	0.3
175.21178	0.3
184.07327	8.3
185.04195	1.3
185.07669	1.6
192.46184	0.3
201.03702	0.5
259.08041	0.4
275.07465	0.5
307.15103	0.4
331.09979	3.8
331.17459	0.4
335.42941	0.3
345.11530	0.5
373.14651	0.8
387.16254	0.8
387.21436	1.4
405.22476	2.0
415.58542	0.3
455.18817	1.3
469.20404	5.7
497.19611	0.6
498.20831	0.7
539.28900	0.6
549.26685	18.3
567.27716	100.0
568.28149	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.2
55.05515	0.3
56.96549	0.5
57.03423	0.2
59.06680	0.2
60.08154	0.5
67.05503	0.6
69.03423	0.3
69.07062	0.4
69.28740	0.5
69.29169	0.9
71.07350	0.2
71.08616	0.5
79.05479	0.4
81.03415	0.3
81.07053	0.5
83.08613	0.2
85.02899	0.2
86.09693	1.4
91.03931	0.2
91.05492	0.2
93.07050	0.4
95.08586	0.3
97.02827	0.2
98.21131	0.8
98.97593	0.5
99.08110	0.2
104.10748	0.5
105.07057	0.2
107.08583	0.2
109.10163	0.3
124.99967	0.9
131.00188	0.2
149.01233	0.4
156.03784	0.2
158.99684	0.2
172.07860	0.2
184.03455	0.3
184.07352	3.5
185.04263	0.7
185.07750	0.5
201.03760	0.5
203.05286	1.3
228.13225	0.2
259.07910	2.0
267.09204	0.2
278.22131	0.3
292.12509	0.8
292.62622	0.8
293.05313	0.2
293.12524	0.3
294.14053	0.7
294.64246	0.8
295.14371	0.2
301.83795	0.2
329.14514	0.3
331.09930	1.2
331.18771	0.5
345.11636	0.2
347.15448	0.4
349.17645	0.2
351.25333	0.2
352.25507	1.1
359.13181	0.2
365.16388	0.2
370.26639	0.2
373.14597	0.3
387.16293	0.6
401.17627	0.4
405.22446	1.9
456.59903	0.2
469.20465	0.6
485.16589	0.2
497.19464	0.2
514.38397	0.2
550.31500	0.3
556.94434	0.2
567.27734	100.0
568.27954	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2774
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
61.65640	0.3
63.74457	0.3
67.05513	0.4
85.02903	0.6
119.47303	0.3
184.07335	0.8
185.04243	1.0
201.03682	0.4
201.56496	0.4
203.05293	1.5
212.12569	0.3
259.07977	1.6
313.17822	0.6
314.29861	0.4
331.10098	2.9
331.18817	0.4
373.14600	0.8
387.16595	0.4
387.21439	1.1
405.22330	1.4
412.63071	0.4
427.19601	0.4
455.18948	1.1
469.20401	4.5
498.20871	0.9
549.26691	19.6
567.27734	100.0
568.28253	1.4
591.16315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.0
53.03949	1.6
55.01875	4.8
55.05515	21.5
57.03437	1.2
57.07074	1.0
58.49838	0.7
65.03932	2.3
67.05507	21.4
69.03423	1.5
69.07066	9.7
71.00064	1.1
71.04980	1.6
77.11021	0.7
77.60633	0.7
79.05492	22.3
81.03429	5.2
81.06583	1.7
81.07058	29.8
83.04998	5.5
83.08617	24.5
85.06532	1.7
91.05482	23.8
93.07050	24.8
95.04967	24.1
95.08612	16.3
97.06518	6.6
97.10197	6.1
99.08076	1.1
99.70772	0.9
105.07029	26.1
107.04955	10.9
107.08595	20.4
109.06520	4.9
109.10168	9.4
111.08076	4.7
117.07015	8.6
119.08586	25.4
119.09448	1.2
121.06529	4.4
121.10159	16.2
123.08061	3.5
123.11680	4.3
125.09641	6.6
127.07559	0.9
127.99720	0.8
129.07016	3.1
131.08574	13.0
133.06526	1.4
133.10136	18.1
135.08064	6.8
135.11694	8.3
135.54585	0.9
137.09596	3.2
139.11172	1.8
143.08588	4.2
144.09418	0.8
145.06499	1.9
145.10115	23.0
147.08060	4.0
147.11690	17.7
149.09627	19.1
149.13249	1.3
151.11169	3.2
153.09094	2.7
155.08568	3.3
157.10162	2.9
159.11696	9.6
161.09602	2.4
161.13280	3.0
163.11189	24.2
165.09172	0.8
165.12753	7.9
167.63541	0.8
169.10123	3.3
171.10410	1.0
171.11635	3.7
173.09659	1.8
173.13202	4.2
175.11217	2.5
175.14824	1.6
177.12776	2.2
179.10643	1.3
181.12254	1.3
183.11676	4.0
185.13206	1.7
187.11220	2.7
187.14795	1.1
188.05627	0.8
189.12897	1.2
191.10672	1.3
191.14400	1.6
193.12312	2.4
197.13258	3.5
197.15384	3.9
200.26711	0.8
201.12910	0.7
203.12782	8.7
205.12241	4.0
213.16414	1.4
215.14339	1.0
215.17851	1.9
217.14311	1.1
219.13893	1.2
229.19479	2.4
237.14847	18.8
239.17932	8.9
243.15881	5.1
247.20612	3.0
257.18997	14.1
275.20068	100.0
289.21646	7.3
289.66641	0.9
293.21127	2.1
307.22678	71.7
310.30878	1.0
566.41797	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17253	1.4
53.03942	3.2
55.01870	2.7
55.05515	12.9
55.19343	1.2
57.03432	12.0
57.07066	2.6
60.08149	3.5
60.27898	1.2
61.02943	6.1
61.03185	1.2
61.95864	1.3
65.03934	1.8
67.05505	39.9
69.03419	5.7
69.07064	13.2
70.73582	3.5
71.04971	3.2
71.07379	1.9
71.08633	17.0
73.02904	2.8
79.05497	23.0
80.09113	1.2
81.03423	8.7
81.07059	47.7
83.04994	8.5
83.08608	8.9
85.02915	8.7
85.06544	2.8
85.10201	1.3
86.09708	15.0
91.03957	3.8
91.05488	21.8
93.07046	35.4
95.04962	5.3
95.08610	19.2
97.02883	5.6
97.06535	9.7
97.10166	5.0
99.04490	2.6
99.08090	14.7
100.36714	1.3
104.10745	25.1
105.07029	14.8
107.04946	3.2
107.08588	20.2
107.78698	1.2
109.02853	2.2
109.06523	3.0
109.10160	6.4
111.08052	3.6
116.34285	1.4
117.06993	6.9
119.08587	8.9
120.08929	1.8
121.06523	2.2
121.10176	10.0
123.11681	2.4
124.99973	8.2
125.09612	4.5
127.03899	4.5
129.05463	2.5
130.20399	1.6
131.08553	9.6
133.10121	11.9
135.08034	2.4
135.11697	8.7
137.09592	1.4
143.08530	2.2
145.04962	1.6
145.10098	4.7
147.11699	3.2
149.03915	1.3
149.09628	1.8
149.13263	14.0
151.11197	12.4
157.10178	2.1
159.11699	18.2
161.09680	1.9
161.13249	8.2
163.11142	6.5
165.12744	2.3
171.11668	1.8
173.11703	4.6
173.13164	2.0
175.11174	1.6
175.14801	3.0
177.12761	20.3
177.57954	1.2
179.14301	9.9
180.59946	1.4
184.05795	1.9
184.07359	28.9
185.13255	2.3
189.11270	2.0
191.60809	1.4
195.13777	6.8
199.14990	1.5
227.12669	2.0
229.14270	2.3
241.19516	2.7
251.16443	5.4
253.18008	1.9
259.20523	4.6
269.17487	100.0
275.98337	1.2
277.21667	13.5
294.14175	1.4
343.15189	1.4
351.25275	51.1
369.26248	6.4
389.17850	1.5
393.26596	1.4
395.04199	1.4
413.21814	4.3
435.38724	1.3
516.30652	7.5
534.32184	7.0
566.34033	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	566.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20868	1.0
51.21712	1.0
53.03942	2.5
55.01866	1.2
55.05517	11.8
57.03416	1.6
57.07077	1.9
62.59618	1.0
65.03935	1.0
67.05508	27.3
69.07066	14.3
70.50579	1.2
71.22485	2.2
79.05497	49.8
79.56891	0.9
81.07059	32.5
83.04987	2.7
83.08620	6.3
85.06534	1.9
89.79882	0.9
91.05483	21.0
93.07045	76.8
95.04977	4.6
95.08614	21.7
97.06541	2.7
97.10172	4.7
105.07044	15.6
107.08594	38.4
107.09306	2.4
109.06532	1.2
109.10161	10.9
111.04429	1.2
111.08092	2.0
117.07018	4.1
119.08575	15.3
121.10142	42.2
123.08065	1.5
123.11708	2.7
125.09621	1.5
129.07027	2.2
130.17958	1.1
131.08588	7.3
133.10124	12.1
135.08058	1.3
135.11699	38.2
137.09642	1.8
143.08566	2.6
145.10109	7.5
147.11699	8.9
149.09633	4.3
149.12073	1.1
149.13268	23.0
151.11206	1.3
153.12764	1.1
157.10168	3.6
159.11729	6.9
161.13281	7.4
163.11240	5.2
163.14819	9.2
170.10989	1.2
171.11717	3.4
173.13278	4.2
175.14832	3.6
177.12747	2.1
181.12242	3.5
185.13307	3.7
189.12805	1.7
191.10718	1.8
195.13969	1.2
199.14853	2.3
203.14223	1.3
209.15355	2.5
213.16412	2.8
217.19606	1.4
221.15244	1.1
227.12817	3.7
231.17546	1.3
235.16823	2.4
241.14265	6.9
241.19475	6.3
249.18585	2.1
259.20590	10.4
291.23184	100.0
322.73355	1.1
389.48041	1.2
462.85416	1.1
548.40240	1.2
566.40344	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80716	3.7
53.03937	5.6
55.05507	16.5
57.07063	6.9
64.72495	4.0
67.05502	23.6
69.07063	18.6
71.56626	4.2
79.05494	24.2
81.07056	40.1
83.08607	11.7
91.05497	37.1
93.07046	50.1
94.56905	3.8
95.04992	5.3
95.08614	32.0
95.73161	3.5
105.07036	69.4
107.08596	46.7
109.06509	4.6
109.10174	34.1
117.07005	14.4
119.08582	87.6
121.10151	71.0
123.11726	11.4
128.06221	6.1
129.06987	14.8
130.07782	4.4
131.08603	31.1
133.06485	6.3
133.10149	47.5
135.08047	5.1
135.11688	28.5
142.07780	20.3
143.08557	33.3
144.09325	4.3
145.10138	70.5
147.11679	20.0
149.09590	7.9
155.08551	13.3
156.09340	15.6
157.10132	48.7
159.08089	14.8
159.11690	17.4
161.09634	4.9
161.13257	6.6
166.07686	4.1
167.08549	10.1
167.10666	16.5
168.09319	7.6
169.10106	25.4
170.10965	5.8
171.11723	26.2
173.09700	6.3
173.13287	19.4
175.14819	27.5
179.08517	12.3
180.09302	6.6
181.10147	13.5
182.10872	8.6
183.11732	20.2
185.13231	13.0
187.11188	5.1
187.14818	17.7
189.12781	8.6
193.10109	12.4
194.10904	6.9
195.11681	14.9
197.13235	28.4
199.11188	9.3
199.14749	7.9
201.16354	8.1
207.11650	9.0
208.12389	5.4
209.13319	20.6
211.14871	10.7
213.16467	8.6
215.14346	7.9
217.10165	6.0
221.13275	11.9
223.14807	20.6
225.12709	5.2
225.16411	9.2
229.85278	4.0
231.11731	4.6
233.13248	8.0
233.15369	44.3
235.14952	4.1
239.17859	5.4
247.14758	5.0
253.19450	7.8
263.17886	5.5
267.21097	5.4
273.18442	14.4
275.17987	8.3
279.21002	5.0
299.20078	30.3
309.17056	4.4
311.19659	8.0
315.07193	3.5
345.25723	16.0
425.28049	4.4
443.29355	16.3
473.33893	6.6
480.75052	4.5
565.40411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.7
56.05024	0.7
56.96558	0.4
57.03434	0.3
58.06610	0.8
59.58017	0.2
60.08164	10.6
61.02918	0.4
65.03937	0.2
67.05515	1.3
67.79860	0.3
69.07053	0.7
70.06602	0.3
71.04981	0.3
71.07375	4.0
71.08630	0.3
71.56998	0.3
71.57391	0.2
79.05500	1.2
81.07080	1.3
83.08597	0.3
85.02921	0.4
85.06547	0.3
86.09705	37.6
90.90137	0.2
91.05468	1.0
93.07041	1.0
93.38558	0.2
94.59689	0.2
95.04972	0.2
95.08595	0.6
97.06528	0.7
98.97581	0.7
98.98460	4.0
98.99053	0.4
104.10744	42.2
105.07028	0.8
107.08584	0.7
109.06478	0.4
109.10175	0.4
112.99151	0.3
116.98643	0.4
119.08603	0.4
119.82919	0.2
121.10217	0.3
125.00008	24.2
125.83910	0.2
131.00148	0.3
131.08572	0.3
133.10168	0.4
145.10133	0.3
149.01215	0.5
149.13176	0.2
161.13275	0.4
184.07339	100.0
198.08960	0.3
251.10376	0.8
251.60728	0.5
253.71654	0.2
258.10965	0.5
259.20755	0.4
267.10779	0.2
300.14291	0.5
300.64310	0.8
301.14847	0.6
351.25238	0.5
434.22659	1.4
448.24725	0.6
454.28848	0.3
460.36124	0.2
466.25677	5.0
516.30823	2.5
534.31952	3.3
548.33386	3.2
566.34680	10.2
567.26031	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22195	0.5
54.37332	0.5
55.01881	0.7
55.05492	1.3
56.05037	88.8
56.08236	0.6
61.01152	4.9
67.05498	3.3
68.05023	1.0
69.03436	1.0
69.07067	3.7
70.02958	1.9
71.04971	0.8
71.42217	0.7
74.06084	17.8
76.98233	0.6
79.05490	1.4
81.03418	1.1
81.07038	2.6
81.59552	0.6
83.04961	0.9
83.08621	0.7
84.04497	0.6
85.02923	1.8
85.06546	1.0
86.09705	3.2
91.05492	1.5
93.07064	2.2
95.08633	1.4
97.04040	1.1
97.06544	1.5
98.02425	0.8
98.06059	94.5
98.97576	0.8
99.03265	0.6
99.05598	0.6
100.03992	3.1
100.21732	0.5
102.03748	1.2
103.05463	0.5
104.10746	0.8
105.07049	1.5
106.38329	0.5
106.48694	0.5
107.08585	1.5
109.10156	2.5
109.98251	0.5
110.02414	2.5
115.05044	4.2
116.07076	1.8
119.08595	1.0
120.08105	4.9
121.10171	0.6
125.03508	0.7
125.07130	3.1
126.05527	1.7
131.08556	0.9
133.10138	1.5
137.10768	0.5
138.09116	2.3
140.07146	0.6
143.08191	1.8
147.11665	0.5
148.04266	6.1
149.02664	2.8
153.06575	0.8
155.11797	6.8
159.11678	0.9
162.05856	10.5
166.08656	3.0
166.51045	0.5
170.05632	0.6
177.06677	0.8
181.04948	2.3
183.11296	11.2
184.07388	2.0
189.06877	1.5
190.05331	100.0
195.07681	5.1
211.10829	1.8
229.14377	3.3
238.11838	1.4
266.15024	3.4
267.09079	1.1
269.17407	2.8
275.20056	1.6
280.16476	1.9
290.14795	0.8
308.16055	13.2
330.14618	1.1
330.18146	7.7
336.15503	1.1
349.23557	2.4
354.14526	0.7
358.17886	0.8
367.24725	1.6
372.15933	6.0
376.18661	9.7
385.11774	1.3
400.15292	2.7
401.12277	0.7
402.12640	0.7
403.12845	1.6
437.21805	0.9
455.22809	4.0
459.21072	0.7
477.21396	2.1
483.21692	1.3
501.22504	12.2
519.22681	10.0
521.55914	0.5
547.22144	4.4
565.29907	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1555
Annotation	Apiin
Peak:m/z	Relative Intensity
52.17725	0.1
56.96560	0.1
57.03434	0.2
61.02913	0.1
65.03943	0.1
65.58309	0.1
67.01862	0.3
68.99807	0.2
69.03431	0.6
69.14183	0.1
70.81439	0.2
70.81784	0.2
73.02895	0.1
81.03398	0.2
84.96051	0.1
85.02900	0.6
87.04469	0.2
87.62926	0.1
91.05489	0.5
94.29350	0.1
97.02888	0.4
97.06543	0.1
98.97590	0.2
110.61404	0.1
115.03908	0.4
119.04955	1.6
121.02885	0.5
127.03897	0.1
131.00143	0.1
133.04985	0.3
137.06047	0.2
145.02840	0.5
149.01237	0.2
153.01830	4.3
163.03922	0.4
171.02919	0.4
173.06274	0.1
179.06441	0.2
187.03914	0.2
201.00769	0.1
208.70781	0.1
225.05487	0.3
229.05006	0.3
236.54126	0.1
239.09569	0.2
243.06425	0.2
251.08589	0.3
251.58862	0.2
256.82233	0.1
271.06021	100.0
272.06381	0.5
283.08585	0.3
287.05582	0.4
300.99344	0.1
301.09448	0.1
317.06573	0.4
332.11227	0.6
332.61368	0.7
333.11612	0.1
337.16986	0.1
433.11316	1.0
452.20947	0.1
565.12494	0.7
592.80103	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	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01867	7.9
55.05510	18.7
57.03443	10.9
58.31288	1.6
58.58510	1.7
61.02920	4.1
66.78712	2.0
67.05508	32.7
69.03429	5.3
69.07065	22.6
69.49538	9.8
69.49962	3.8
71.05001	2.7
79.05495	28.2
81.03414	5.4
81.07053	32.9
81.53715	1.6
83.04990	4.9
83.08614	11.6
85.02923	7.8
85.06534	2.8
91.03987	3.2
91.05477	29.1
93.07043	28.1
95.04973	5.4
95.08617	18.9
97.02885	4.8
97.06541	9.3
97.10191	13.3
98.20683	1.8
104.02293	1.6
105.07031	26.2
107.04967	9.2
107.08591	34.4
109.06492	4.2
109.10168	8.6
111.08080	3.1
117.07009	9.2
119.08574	17.8
121.06516	3.8
121.10157	9.5
123.11745	3.9
125.09653	9.9
127.03938	2.3
129.06931	3.6
131.08556	13.4
133.10144	14.0
135.08052	3.8
135.11705	10.0
143.08566	3.7
145.10123	15.0
147.11707	11.7
149.09631	11.4
149.13271	4.1
155.08597	2.9
157.10158	2.8
159.11693	14.5
161.13263	6.6
163.11171	5.3
171.10164	4.8
171.11620	4.1
173.13248	5.9
177.12779	8.2
179.14247	3.4
187.11200	1.8
189.11259	5.0
195.13678	2.5
197.13304	1.9
217.15744	2.4
218.50391	1.9
227.12807	13.2
229.14439	4.0
229.19400	2.8
239.18040	6.2
245.13849	2.6
247.20654	5.1
255.15950	12.4
257.19003	14.3
269.17480	25.0
275.20059	39.0
293.20926	3.2
325.70862	1.7
341.40372	1.9
349.23734	100.0
367.24783	12.1
501.33908	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.2
53.66818	2.2
55.01863	8.9
55.05512	28.0
57.03432	17.4
57.07093	2.1
61.02907	9.8
65.03940	2.6
67.05503	57.3
69.03423	8.5
69.07066	38.1
70.49895	3.5
70.50212	3.3
70.82318	1.9
71.04981	5.9
73.02931	3.0
79.05066	4.1
79.05495	49.1
81.03428	12.0
81.07053	79.2
83.04979	11.3
83.08620	16.2
85.02895	10.7
85.06528	5.0
91.03941	2.9
91.04903	3.0
91.05472	42.1
93.07044	54.3
95.04963	8.5
95.08607	30.8
97.02883	9.4
97.06525	25.6
97.10168	19.3
98.20743	2.5
99.08086	4.4
103.03961	2.4
103.05444	3.4
105.07030	39.0
107.04949	12.0
107.08595	48.7
109.06502	6.3
109.10139	17.2
111.08072	7.0
117.07018	20.1
119.08578	32.0
121.06503	4.6
121.10133	23.1
123.08044	4.7
123.11684	5.6
125.09616	15.5
127.03917	5.0
129.07042	4.4
131.08565	25.4
133.10139	27.7
135.07999	5.5
135.11687	29.0
137.09688	3.7
145.04982	3.0
145.10112	27.6
147.08064	2.7
147.11670	17.4
149.09607	22.0
149.13277	19.5
151.11221	3.1
155.08467	2.5
157.10147	6.2
159.11700	30.1
161.13287	9.5
162.09523	2.3
163.11188	14.1
169.10199	4.2
171.10193	6.2
171.11662	5.5
173.09654	2.7
173.11839	4.1
173.13260	10.7
175.04248	2.4
177.12738	19.1
179.14355	10.7
183.11739	2.7
187.11157	3.3
189.11220	10.2
189.94926	2.0
192.63777	2.2
195.13826	8.2
197.13258	3.7
227.12825	12.2
229.14346	5.0
229.19522	2.8
239.17912	5.4
245.13840	7.8
247.20560	6.5
253.18102	2.7
255.15903	40.6
257.19025	22.4
269.17471	70.2
275.20062	61.2
293.20972	3.7
309.20654	2.3
349.23727	100.0
367.24744	19.5
371.17282	2.8
489.37088	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	562.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01876	7.3
55.05313	0.7
55.05514	7.6
57.03435	6.5
61.02916	3.4
65.03926	1.5
67.05505	34.4
69.03433	4.7
69.07073	12.2
70.28248	1.8
70.28618	1.7
71.04992	3.8
73.02898	1.6
79.05069	1.3
79.05496	20.1
81.03410	4.6
81.07058	36.4
83.04986	6.7
83.08614	3.7
85.02916	4.3
85.06538	3.8
86.09688	1.6
91.03941	1.8
91.05479	32.6
93.06480	1.2
93.07047	21.8
95.01315	0.9
95.04971	7.5
95.08604	12.9
97.02882	2.1
97.06527	2.7
97.10193	1.4
98.21355	1.2
99.04459	1.9
103.05410	0.9
105.07031	27.8
107.04949	6.4
107.08593	25.9
109.02853	0.9
109.06522	6.0
109.10159	40.7
111.04412	1.4
111.08092	2.4
113.05981	1.9
113.22172	0.7
115.05473	0.8
117.07024	5.2
119.04949	0.7
119.08576	6.2
121.06548	4.1
121.10139	4.8
123.04469	1.1
123.08053	2.8
123.11705	7.6
127.03889	1.2
127.07572	2.8
128.06229	1.2
129.05466	1.2
129.06979	2.0
131.08572	6.8
133.06514	5.2
133.10135	49.6
135.08060	3.1
135.11687	3.6
137.06027	0.9
137.09645	1.4
143.08548	3.2
145.10167	4.3
147.08047	3.2
147.11681	2.7
149.09610	6.5
151.11189	23.8
157.10049	1.9
159.08043	1.9
159.11734	1.9
161.09637	6.9
161.13278	1.4
163.11168	1.2
165.12706	0.9
169.12225	3.5
171.11647	1.7
173.09587	0.8
175.11201	2.1
177.09109	1.2
177.12697	0.8
179.10699	1.8
184.07336	2.2
187.11258	1.0
189.12811	1.1
199.11140	1.0
215.12796	3.2
217.12268	0.9
218.64948	0.8
227.17787	1.1
237.16376	0.9
245.19032	3.5
251.12985	1.9
253.14349	100.0
255.17433	1.8
263.20117	4.4
269.10855	0.9
269.13818	3.3
271.15375	17.5
273.18503	14.2
279.23041	1.0
285.17117	2.2
291.19537	21.5
309.20551	1.0
321.23993	1.4
347.22202	5.6
365.23233	73.2
383.24200	3.2
407.02036	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.1
53.35231	4.3
55.01865	18.2
55.05511	17.6
59.63692	4.8
67.05505	39.5
67.23673	4.4
69.07056	19.3
79.05492	50.3
79.70166	4.2
81.03424	6.4
81.07057	51.7
83.04961	10.0
91.05489	44.9
93.07044	71.3
95.04951	12.5
95.08616	28.5
97.06535	35.7
105.07037	47.3
107.04943	10.7
107.08593	20.0
109.06535	6.9
109.10128	5.1
116.91096	4.8
117.07016	12.8
119.08580	29.4
121.06431	5.0
123.08058	7.3
124.04548	4.7
129.06990	16.8
131.08534	8.2
133.10159	26.9
135.11650	6.5
143.08565	6.7
145.10173	12.4
145.92899	4.4
147.11681	56.4
149.09587	4.8
149.13272	10.6
159.11717	11.7
161.09637	8.0
161.13240	14.7
171.11641	31.3
177.12720	12.3
187.11182	5.7
189.12741	21.2
205.12201	5.6
207.13805	90.3
239.16435	63.0
255.16092	8.2
257.18973	9.7
275.20065	90.4
307.22702	100.0
562.25616	28.2
562.37671	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	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01878	4.3
55.05516	9.4
57.03433	6.4
57.07072	1.1
61.02924	3.0
65.03960	1.4
67.05506	28.7
69.03427	3.3
69.07070	11.2
69.90817	3.6
71.04989	3.1
73.02915	1.4
74.15678	0.9
79.05064	1.7
79.05492	21.1
79.06207	1.0
81.03426	5.5
81.07057	34.4
83.04994	6.3
83.08629	4.6
85.02910	2.6
85.06537	3.1
91.03893	0.8
91.05482	24.9
93.07044	21.3
95.01362	0.8
95.04964	5.5
95.08611	7.0
97.02894	3.7
97.06525	3.6
97.10175	3.4
99.04432	1.7
104.34375	0.9
105.03350	1.0
105.06313	1.1
105.07036	23.8
107.04974	5.8
107.08594	21.9
109.06525	4.4
109.10161	30.0
110.74979	0.9
111.08102	2.8
113.06049	1.5
117.07030	5.2
119.04945	0.8
119.08588	7.9
121.06510	4.5
121.10153	5.2
121.22866	0.8
123.08053	1.7
123.11710	4.5
125.05972	1.1
125.09631	1.5
127.07587	1.7
129.06984	2.7
131.08533	7.9
133.06503	4.5
133.09114	1.9
133.10132	40.5
135.08049	5.4
135.11717	2.8
137.09634	2.3
139.07480	1.2
143.08572	3.3
145.10114	5.5
147.08064	3.5
147.11682	3.0
149.09650	6.1
151.11186	16.7
157.10132	2.4
159.08038	1.9
159.11700	1.9
161.09612	5.2
161.13402	1.1
163.11192	1.1
163.51956	0.8
169.12238	3.7
171.11736	1.6
173.09743	0.9
173.13203	1.1
175.11200	2.9
177.09131	2.7
179.10693	1.3
184.07474	1.1
185.09554	1.1
185.13226	1.5
189.12724	1.5
193.12163	1.2
215.12773	3.6
223.13345	4.5
227.12929	0.9
227.17857	1.3
245.19003	4.2
251.12790	1.3
253.11673	1.5
253.14351	28.3
255.17513	1.6
263.20053	3.8
269.13898	2.9
271.15414	25.7
273.18521	18.2
285.16946	2.2
291.19562	39.8
291.22879	1.9
305.10815	1.4
309.17166	1.2
309.20627	2.1
321.24329	1.6
347.22220	6.6
365.23233	100.0
383.24240	3.8
412.80396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39140	1.1
53.03942	2.5
55.01869	7.1
55.05513	9.0
57.03436	5.4
57.03673	0.9
57.25348	0.9
61.02920	2.8
62.15891	0.8
62.84025	0.8
67.05503	33.7
69.03436	4.7
69.06779	1.0
69.07071	10.4
69.33336	3.6
69.33765	4.4
71.04996	2.4
73.02911	1.1
79.05495	19.7
81.03430	4.8
81.06583	2.1
81.07057	33.7
83.04973	7.2
83.08614	4.1
85.02893	3.7
85.06544	3.9
86.09699	1.5
91.03948	1.8
91.05480	27.4
92.01624	0.9
93.07045	20.4
95.04973	6.9
95.08604	10.2
97.02892	2.8
97.06526	3.9
97.10155	1.8
98.21427	2.5
99.04446	1.6
104.10725	1.1
105.07031	24.0
105.07691	1.7
107.04961	5.7
107.08595	22.5
109.06531	4.5
109.10159	38.6
111.04478	1.4
111.08089	2.0
113.06000	2.0
113.32726	1.0
117.07007	5.0
119.08575	6.4
121.06504	3.0
121.10158	4.7
123.08054	2.4
123.11701	7.4
123.83533	0.8
125.09609	2.1
126.20776	0.9
127.07514	1.6
129.05476	0.9
129.06979	1.8
131.08568	6.0
133.06499	4.7
133.10129	44.3
135.08044	4.7
135.11674	2.8
137.09578	1.7
143.08559	2.6
145.10114	2.7
147.08029	3.3
147.11682	2.2
149.09602	5.2
149.13309	1.4
151.11192	21.8
157.10155	1.9
159.08043	1.5
159.11691	2.2
161.09639	5.8
161.13333	1.2
163.11203	1.0
169.12248	4.1
171.11699	1.0
175.11235	1.6
177.09091	2.3
179.10681	0.9
184.07355	1.6
191.77705	0.9
215.12819	3.1
227.17964	1.1
245.19060	1.2
251.12920	1.3
253.14351	86.2
255.17480	1.0
263.20074	2.9
267.15723	1.2
269.13788	3.1
271.15335	10.3
273.18439	13.6
285.16980	1.6
291.19559	15.5
347.22195	6.7
365.23233	100.0
383.24451	2.5
407.71338	1.4
489.02112	1.1
489.26038	1.2
502.12512	1.0
518.16626	1.0
527.28772	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.3
54.07682	0.3
55.01883	2.8
55.05513	10.6
57.03441	3.9
59.04987	0.4
61.02899	1.3
67.05506	11.6
69.03432	4.9
69.07072	14.2
69.32584	3.4
71.04967	1.1
73.02916	0.6
74.45020	0.3
79.05495	12.0
81.03005	0.4
81.03419	5.9
81.07061	11.0
83.04981	2.5
83.08621	6.4
85.02901	2.6
88.47896	0.3
89.05953	0.3
91.03953	0.5
91.05480	7.7
93.06498	0.6
93.07043	8.5
95.04440	0.5
95.04966	4.4
95.08060	0.6
95.08612	6.2
97.02287	0.5
97.02892	5.8
97.06508	1.6
97.10168	7.6
98.21525	0.8
103.03908	0.4
103.05366	0.4
105.06399	0.5
105.07037	6.6
107.04949	3.5
107.07993	0.5
107.08602	6.2
109.06480	1.4
109.10169	4.7
111.04398	0.5
111.08051	1.4
115.05415	0.4
117.07021	3.3
117.34005	0.4
119.04896	0.7
119.08588	5.5
121.06471	2.2
121.10151	2.5
123.08070	2.0
123.11720	0.5
125.08760	0.5
125.09628	7.1
129.06967	1.5
131.08588	4.7
133.06461	2.1
133.10136	2.1
134.07280	0.9
135.08012	1.7
135.11639	1.5
137.09607	1.2
142.07814	0.4
143.08536	1.5
145.06412	0.7
145.10144	3.0
147.08081	3.2
147.11685	1.9
149.09578	0.7
149.13239	0.7
153.09021	0.8
153.12770	0.4
157.10185	2.0
159.11717	1.1
161.09599	1.6
161.13200	0.5
162.10413	0.6
163.11195	0.9
165.09113	0.8
171.10201	0.8
171.11685	0.6
173.11586	0.5
175.11130	1.4
177.09082	0.6
177.12773	0.6
185.09669	0.4
185.13268	0.4
189.11253	3.7
193.12274	4.0
195.13811	0.5
205.12302	0.6
211.13225	2.2
212.61377	0.5
223.13300	11.9
225.82463	0.4
227.12788	3.6
245.13812	0.5
245.19041	0.9
249.14856	2.1
255.17517	1.3
263.19992	0.8
267.15836	2.0
273.18469	8.2
285.14587	0.4
285.16977	9.3
291.19543	63.6
347.22211	2.2
365.23236	100.0
383.24411	0.5
429.21017	0.6
486.44250	0.4
527.28510	2.5
554.22266	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01865	4.3
55.05266	1.3
55.05512	19.1
57.03432	3.3
59.05009	1.1
61.02919	3.5
65.03949	1.2
67.05505	19.4
69.03432	6.4
69.07069	23.7
69.31131	5.6
69.31538	2.9
73.02916	1.9
79.05496	19.8
81.03410	8.2
81.07057	18.6
83.04971	3.4
83.08623	8.3
85.02914	4.9
91.03971	2.0
91.05479	15.1
93.07042	15.1
95.04977	6.8
95.08614	8.2
97.02894	7.2
97.06542	4.0
97.10163	12.2
103.05433	1.1
105.03378	1.4
105.04509	1.1
105.07033	11.9
107.04966	5.8
107.08596	11.5
109.02874	1.6
109.06499	3.5
109.10158	7.6
111.04488	1.0
111.08057	2.2
117.07001	4.7
119.04935	2.2
119.08589	11.3
121.06484	3.7
121.10145	4.5
123.08062	3.6
123.11668	1.1
125.09616	7.0
128.06262	1.3
129.06996	3.4
131.08580	5.3
133.06497	3.1
133.10106	4.5
134.07294	1.5
135.08025	3.5
135.11635	1.7
137.09602	2.0
143.08513	1.7
145.10132	4.2
147.08041	4.2
147.11678	3.4
149.09668	1.8
149.13329	1.1
151.11133	1.1
157.10153	3.3
159.08092	1.2
159.11664	2.0
161.09637	2.9
163.11092	1.3
163.47438	1.0
165.09183	1.2
169.12227	1.3
171.11769	1.7
175.11159	2.8
177.12790	1.7
187.11217	1.1
189.11186	4.4
189.12724	1.5
193.12283	5.4
211.13315	2.8
223.13304	13.8
227.12752	5.0
245.19083	1.2
249.14886	3.3
253.14400	1.4
267.15927	2.3
273.18484	16.8
285.16953	9.1
291.19543	100.0
307.18811	1.1
347.22220	4.5
355.24509	1.0
365.23230	99.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01865	3.7
55.05515	16.9
57.03436	3.9
61.02930	2.0
67.05508	15.4
68.78854	1.0
69.03425	5.4
69.07070	20.3
69.25601	3.1
69.26018	4.9
77.83040	0.8
79.05495	17.1
81.03409	6.3
81.07062	13.6
83.04989	2.3
83.08620	6.0
83.67272	0.8
85.02905	4.1
88.29913	1.0
91.03974	1.1
91.05477	10.7
93.07053	10.6
95.04958	5.9
95.08610	6.2
96.10146	0.8
97.02898	6.1
97.06503	1.8
97.10168	10.1
98.21503	1.9
99.08090	1.2
104.33044	0.8
105.07031	9.2
107.04964	5.4
107.08615	8.4
109.02872	1.1
109.06493	2.4
109.10172	5.9
111.08112	1.3
117.07008	4.0
119.04935	1.1
119.08606	7.3
121.06547	2.4
121.10136	3.6
123.08067	3.4
125.09633	7.2
129.06989	3.1
131.08577	6.0
133.06477	2.7
133.10127	4.0
134.07312	1.2
135.08041	3.5
135.11694	2.1
137.09645	1.7
143.08548	3.2
145.10124	3.6
147.08047	4.0
147.11656	2.5
151.11147	1.6
157.10130	2.8
159.08023	1.2
161.09665	1.9
163.11214	1.9
165.09081	1.9
175.11209	1.5
189.11301	4.1
189.12689	1.1
193.12212	4.4
211.13257	2.3
223.13287	12.8
227.12764	3.0
237.16182	0.9
245.19083	0.9
249.14847	3.2
255.17438	1.2
267.15900	2.4
273.18506	11.3
285.16992	9.1
291.19540	70.1
307.19095	1.3
347.22217	5.7
365.23239	100.0
400.00983	1.0
509.27396	1.4
525.17511	1.1
527.28302	1.9
562.35681	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01867	3.5
55.05513	19.7
57.03434	11.7
57.07067	2.9
59.04995	1.3
65.03921	2.6
67.05506	51.5
69.03426	4.0
69.07068	22.6
71.04987	4.8
71.42426	2.5
73.02942	1.7
77.03887	1.5
79.05497	45.6
81.03402	4.2
81.07058	100.0
83.04982	7.5
83.08626	10.4
85.02872	3.0
85.06548	7.4
86.09702	1.6
88.06298	1.1
91.05482	61.0
93.07049	47.5
93.07637	2.2
95.04958	6.2
95.08611	33.8
96.08899	1.1
96.71460	1.1
97.02876	1.5
97.06536	6.6
97.10181	3.3
99.04449	2.5
99.08092	5.4
101.06018	1.5
103.05528	2.2
105.07033	69.9
107.04940	1.7
107.07875	1.9
107.08593	33.7
109.02899	3.4
109.06510	7.9
109.10148	11.5
111.04420	2.6
111.08118	3.0
113.06005	1.2
117.07014	13.7
119.08582	63.5
121.10146	33.6
121.11031	1.6
123.08067	3.4
123.11713	22.0
127.03896	1.7
127.07514	2.6
127.12449	1.2
129.07011	7.9
131.08566	15.6
133.10138	33.5
135.11678	16.1
137.09570	1.7
137.13268	2.2
143.08575	8.9
145.10124	15.8
147.11693	88.0
149.09718	2.7
149.13269	10.8
157.07292	1.4
157.10135	9.4
159.11694	14.7
161.09708	1.5
161.13257	23.9
163.11177	3.0
163.14859	3.3
165.12753	26.9
171.11694	11.7
173.13324	9.2
175.11220	3.7
175.14861	13.4
177.12675	2.1
183.11684	2.2
183.13829	4.5
184.07304	3.0
185.13268	8.9
187.14861	2.7
191.00085	1.5
191.14394	2.0
193.12241	2.1
199.14836	5.5
203.14354	1.5
213.16454	2.6
217.19504	2.1
229.14351	7.4
231.21034	6.2
241.19510	35.8
243.21085	2.7
259.20578	63.5
261.22223	3.6
267.15912	32.3
275.20291	3.2
277.21649	7.6
285.16968	60.3
302.26511	1.2
309.47195	1.3
315.23193	6.0
333.24243	54.4
349.16666	2.2
351.25198	5.2
367.17783	4.0
381.63474	1.2
450.53500	1.3
451.31958	1.7
459.04968	1.3
469.33032	3.8
525.35645	5.7
543.36896	20.8
561.26025	2.5
561.38605	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	561.293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63860	1.4
53.03942	4.5
55.01867	2.8
55.05510	11.7
55.52155	1.4
56.05036	4.0
56.96561	1.3
57.03441	13.6
57.07080	1.8
60.94731	1.4
61.00841	2.0
61.01152	38.3
61.02934	16.4
67.05505	20.9
69.03435	18.3
69.07075	7.8
69.98480	6.3
71.01364	1.6
71.04991	5.4
72.15637	1.3
73.02924	8.5
74.06090	8.4
75.02701	4.6
78.92194	1.4
79.05499	17.2
81.03417	16.0
81.07061	15.1
83.04977	12.8
83.08619	4.0
85.02905	16.1
85.06503	1.7
85.10188	40.5
86.09701	4.6
89.04249	4.5
91.03967	7.4
91.05488	18.3
93.07050	15.5
95.04963	6.4
95.08598	7.3
96.08144	3.6
97.02888	15.2
97.06529	8.8
97.10152	3.0
99.04468	6.8
99.08105	1.5
100.11253	4.5
101.02405	2.1
103.03938	2.4
104.05361	4.1
105.07027	9.9
107.04985	6.9
107.08572	8.1
109.02882	4.1
109.06532	11.1
109.10162	6.6
110.09669	1.5
111.04436	3.9
112.11250	11.0
115.03898	2.0
117.07017	7.6
119.08564	8.6
121.06493	3.3
121.10164	5.1
123.08056	2.9
125.06004	3.9
125.09637	2.3
127.03928	5.1
128.06229	1.7
129.05507	2.0
129.06982	4.1
129.21193	1.4
131.08575	8.1
131.17862	1.7
132.10269	1.7
133.06480	2.9
133.10139	5.0
135.08080	3.7
135.11708	8.1
137.05969	3.7
138.12784	19.5
141.06961	2.4
142.07753	2.3
143.08511	2.2
145.04994	3.0
145.06477	2.9
145.10098	5.7
147.08063	2.5
147.11679	2.3
149.09624	2.2
151.07552	2.2
155.08517	2.9
156.13808	2.3
157.10065	3.5
159.08064	5.8
159.11699	4.4
161.09628	5.4
163.07532	3.0
163.11215	7.1
169.10117	1.9
170.11772	5.3
171.11719	2.2
173.09619	3.2
175.07529	2.4
175.11180	6.2
177.12752	3.2
181.12244	3.7
186.13123	100.0
187.11241	2.6
199.11241	1.8
199.13351	1.8
207.13765	1.9
211.14568	1.8
214.12675	3.4
215.14178	2.5
233.15225	7.7
235.14851	1.9
237.14807	2.5
243.17416	2.1
253.15768	3.5
255.15918	6.3
261.18576	2.1
271.16980	13.6
289.17999	30.1
299.16104	3.5
301.06888	2.0
301.15854	16.6
307.18994	3.2
325.16391	2.3
329.15295	47.6
345.20670	4.1
363.21664	66.1
364.21942	1.9
365.15610	3.4
381.18600	3.4
381.22855	5.5
399.10623	3.6
399.20056	6.3
412.19025	2.0
412.24377	3.7
430.20087	23.3
430.25296	2.1
497.27505	1.9
517.33319	2.4
525.26410	2.2
543.28479	15.7
561.29626	14.4
561.36523	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01876	7.8
55.05513	8.0
57.03441	11.4
57.45078	1.0
60.85013	1.0
61.02913	3.9
65.03939	1.5
67.05508	20.5
69.03423	4.0
69.07066	5.5
70.56435	2.8
70.56773	1.2
71.01351	1.8
71.04968	2.7
73.02907	2.7
79.05502	19.6
81.03419	7.2
81.07058	18.5
83.01352	1.2
83.04981	6.8
83.08615	3.3
85.02914	6.6
85.06530	1.8
91.03947	2.8
91.05478	20.9
93.07056	12.9
94.04132	1.3
95.04966	15.9
95.08614	10.6
97.02901	6.9
97.06516	5.4
97.10127	1.8
98.07304	1.6
98.97594	1.2
99.04459	1.3
103.05476	1.5
105.07035	15.9
107.04294	1.8
107.04962	21.4
107.08589	7.7
109.02882	1.2
109.06515	10.3
109.10164	6.8
111.04467	2.4
111.08134	1.1
112.05247	2.3
113.06002	2.6
113.95486	1.3
115.05473	1.8
117.07016	8.3
118.16296	0.9
119.04921	2.6
119.08578	8.2
121.06521	4.4
121.10168	5.0
122.07253	6.0
123.04459	4.2
123.08060	2.6
125.05964	2.0
125.09605	1.8
127.03921	2.2
128.06264	1.9
129.05478	2.2
129.06998	3.9
131.04880	1.6
131.08574	10.7
133.06494	7.3
133.10112	5.0
135.04454	1.6
135.08049	4.0
135.11723	2.9
137.05992	2.9
137.09613	2.4
141.06998	2.3
143.08534	5.3
145.04955	1.2
145.06491	6.6
145.10124	5.8
147.08069	9.4
147.11665	2.6
149.01248	2.0
149.02338	11.1
149.05962	1.2
149.09625	2.9
149.13243	1.2
150.02673	3.3
151.07626	1.3
155.08591	1.5
157.10172	2.2
159.08061	2.9
159.11682	3.8
161.09616	6.3
161.13292	1.2
163.11266	2.7
165.09111	2.1
169.10127	2.4
171.11716	2.9
173.11766	2.0
173.13243	2.5
175.11214	1.3
177.12790	2.2
179.10785	1.2
184.07478	1.3
185.13243	1.7
187.11275	1.5
187.14865	1.9
189.12766	1.3
191.14417	1.2
197.13295	1.9
205.15906	2.8
207.11288	1.2
215.14334	2.9
217.15842	1.2
229.14339	1.8
233.15387	9.0
243.13802	1.8
251.16446	2.0
253.17815	1.5
261.14838	2.0
273.18472	3.5
278.14539	1.4
290.18671	5.2
291.19690	1.5
307.19040	9.8
313.03506	2.2
335.18552	8.6
339.78717	1.2
355.08148	1.4
381.22717	100.0
399.10742	8.0
517.32697	1.6
561.35492	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	561.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59918	1.0
53.03938	3.7
55.01880	7.7
55.05511	9.7
57.03440	13.2
57.07077	22.5
58.07407	4.3
61.02915	3.5
65.03937	2.9
67.05508	31.9
69.03432	5.7
69.07075	12.5
71.01344	2.3
71.04968	2.4
71.56550	1.4
73.02917	3.0
79.05489	25.3
80.06243	1.1
81.03414	12.6
81.07053	22.8
82.03735	1.2
83.01332	1.1
83.04986	12.4
83.08612	5.6
85.02897	9.6
85.06541	3.0
86.03250	1.3
86.09688	3.0
91.03948	3.3
91.05483	25.5
93.07050	21.9
94.04178	1.2
95.04968	23.3
95.08614	15.9
97.02888	8.9
97.06501	6.2
97.10172	2.5
98.07301	1.7
99.04456	1.8
99.08140	1.5
103.05437	1.1
104.10732	1.2
105.04529	1.4
105.06388	1.8
105.07034	21.6
107.04958	33.3
107.08577	12.0
108.05737	2.2
109.02885	2.2
109.06528	14.9
109.10136	9.2
111.04423	3.7
111.08076	2.2
112.05219	2.5
113.05997	4.3
115.05511	2.8
117.07022	12.3
119.04911	1.8
119.08588	13.5
121.02879	3.2
121.06509	7.4
121.10136	5.6
122.07277	6.9
123.04412	3.5
123.08073	4.8
123.11734	1.6
124.99998	1.9
125.05984	1.5
125.09658	1.9
127.03902	3.6
128.06232	4.0
129.05521	1.4
129.06995	5.8
131.04843	1.6
131.08572	11.8
133.06514	8.0
133.10133	6.2
135.04391	1.3
135.08063	7.8
135.11674	4.8
137.06046	1.8
137.09683	2.5
141.06975	2.8
143.08574	6.2
145.04942	1.5
145.06512	5.6
145.10106	7.9
147.08051	14.4
147.11694	3.6
149.02347	86.6
149.09621	3.5
149.13232	2.0
150.01521	2.3
150.02684	36.7
150.03885	1.9
151.07549	1.7
155.08559	1.3
157.10143	4.1
159.08029	3.0
159.11693	4.7
161.09637	10.4
161.13269	2.2
163.11176	4.2
165.09157	2.7
169.10123	2.7
171.11649	2.9
173.11806	2.0
173.13240	3.8
175.11200	3.5
177.12691	2.3
184.07384	6.4
185.13177	2.2
187.11235	2.1
187.14853	3.1
189.11218	1.2
189.12785	1.2
192.09462	1.0
197.13329	2.4
205.08632	7.7
205.10567	1.5
205.15897	2.6
206.09032	6.8
210.17307	1.1
211.83755	1.3
213.86755	1.2
215.14342	2.5
217.15984	1.6
221.08028	1.8
222.08449	1.2
227.12631	1.5
229.14339	3.6
233.15356	12.1
251.16428	2.6
255.17459	1.2
264.64938	1.1
273.18530	6.9
277.14413	6.5
278.14630	11.7
289.17984	1.8
290.18823	7.8
291.19571	1.9
293.13181	3.3
294.52917	1.2
296.16055	1.7
307.18979	9.2
307.59824	1.1
325.19891	1.8
335.18463	6.4
347.22293	2.1
364.22311	1.9
365.23285	3.2
381.22726	100.0
399.23828	1.2
425.94803	1.2
517.32941	3.5
543.17242	2.3
543.36462	1.9
561.24536	1.4
561.36792	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	561.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.0
55.01873	15.0
55.05521	35.7
56.96557	4.4
57.03440	30.3
57.07076	3.2
59.04984	3.1
61.02924	35.6
65.03940	3.0
67.05505	100.0
68.49641	2.2
69.03423	27.4
69.07074	20.9
71.01357	4.8
71.04990	11.1
71.56534	2.6
73.02925	14.9
79.05495	40.8
81.02988	3.6
81.03422	53.8
81.07059	50.5
83.04983	20.0
83.08618	18.6
85.02908	53.0
86.09729	6.0
87.04469	10.4
91.03973	20.8
91.05480	24.8
93.07047	34.6
95.04957	12.4
95.08614	17.1
97.02890	58.1
97.06538	15.1
97.10178	24.2
99.04456	9.3
99.08090	3.2
101.02396	7.6
103.03957	8.2
105.07030	15.9
107.04953	7.5
107.08594	20.7
109.02892	10.2
109.06524	7.4
109.10161	84.7
109.39842	2.6
111.04450	6.8
111.08086	7.1
111.38272	2.3
115.03890	2.4
117.07030	5.0
119.08575	20.5
121.06492	3.5
121.10153	13.2
123.08022	3.9
123.11671	2.6
125.09624	30.8
127.03902	20.9
129.05511	12.6
129.07027	3.8
131.08563	10.2
133.10129	7.8
135.08060	3.1
135.11693	7.6
137.05978	3.4
137.09624	4.6
143.08461	2.8
143.10674	5.4
145.04973	6.0
145.10129	6.8
147.11671	4.4
149.09619	4.3
151.11118	2.8
153.12756	6.3
154.14615	2.7
155.10678	12.0
157.08658	3.0
157.10109	5.4
159.11752	2.5
163.11186	11.9
171.11652	3.7
173.04474	15.0
173.09721	2.9
173.10121	3.2
173.11740	34.1
173.13188	3.7
181.12282	4.7
182.70142	2.3
183.06500	3.9
184.07347	15.7
185.07684	4.1
189.11235	3.8
191.10745	2.8
193.12366	3.5
199.13333	7.0
209.11720	9.2
224.08168	10.8
224.58191	5.4
227.12779	12.4
229.14377	59.4
253.14209	2.4
257.13776	6.6
267.09076	2.7
283.15430	7.0
293.05719	2.5
301.16507	10.9
305.10458	2.6
349.16071	3.4
367.18015	3.3
373.18588	2.6
377.69690	2.6
391.19476	8.4
398.19308	3.5
399.23685	11.4
463.21854	4.0
477.16974	2.6
499.31915	6.5
543.36133	10.6
561.28534	12.5
561.36902	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	559.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.01871	6.8
55.05509	23.7
56.94167	1.2
57.03436	11.8
57.07072	3.5
61.02923	2.1
65.03952	4.1
67.05503	46.1
69.03417	3.5
69.07071	17.2
70.60865	3.6
71.04988	5.5
73.02922	2.1
77.03841	1.3
79.05491	58.7
81.03416	8.4
81.06577	2.9
81.07058	51.0
83.04977	5.1
83.08613	14.6
85.06529	4.1
91.05479	53.4
93.07044	79.3
95.04972	15.3
95.08606	57.8
97.02894	4.9
97.06516	7.6
97.10147	3.7
99.04446	4.3
99.08088	3.4
103.05499	1.8
105.04502	2.0
105.07032	56.1
107.04953	11.7
107.08589	50.1
109.06518	5.3
109.10155	13.3
111.04472	2.2
111.08110	2.4
113.06005	2.4
115.05460	2.7
117.07014	22.1
119.08581	58.8
121.06499	7.8
121.09315	2.4
121.10142	29.2
123.08055	1.7
123.11684	2.6
125.05994	2.4
125.09634	1.4
128.06203	1.4
129.07005	9.0
130.07759	3.4
131.08562	22.2
133.10127	33.1
135.08087	6.2
135.11691	71.4
137.13257	1.4
139.07535	1.8
142.07790	2.5
143.08566	10.6
145.06422	1.8
145.10127	51.0
147.08083	1.3
147.11687	38.7
149.09615	3.1
149.13261	8.5
151.11160	2.2
155.01097	1.5
155.08575	2.0
157.10107	7.8
159.11707	14.2
161.09644	2.4
161.11974	2.3
161.13263	30.6
161.14607	1.9
163.11179	63.4
163.14871	3.4
171.11716	10.4
173.13249	9.2
175.11131	2.5
175.14824	12.7
175.72951	1.3
177.12732	1.7
181.12213	11.6
185.13251	11.9
187.14827	2.9
189.11111	1.4
189.12683	1.8
189.16396	1.6
197.13277	1.6
199.14867	6.6
209.11646	2.6
213.16501	2.0
217.19446	3.0
227.12779	100.0
231.17422	1.5
231.21117	5.6
241.19502	40.7
243.21095	2.1
250.94928	1.4
259.20572	81.3
267.15979	2.0
275.20108	6.7
277.21677	2.0
283.15393	60.4
291.19617	2.6
293.20938	1.7
315.23178	11.0
333.24222	89.1
349.23395	1.9
460.10553	1.5
467.31476	3.1
518.21075	1.4
541.35297	36.0
559.36768	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	559.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.4
55.01865	7.3
55.05516	30.8
56.96566	2.8
57.03434	7.5
57.07085	11.8
61.02921	8.5
67.05511	37.2
67.05843	1.6
68.99798	2.9
69.03430	29.1
69.07072	55.1
70.06579	1.9
71.05009	5.4
71.08637	5.4
73.02908	4.2
79.05493	19.7
81.03426	25.7
81.07063	88.9
83.04976	4.8
83.08626	29.9
85.02428	3.7
85.02912	54.5
85.06540	19.3
85.10204	2.7
87.00827	18.8
91.03947	4.3
91.05487	14.6
92.23203	2.3
93.07061	20.1
95.04992	11.6
95.08616	100.0
97.02897	26.2
97.06534	11.7
97.10175	21.7
97.19729	2.4
98.97587	6.9
99.04445	8.4
99.08100	13.5
105.01869	20.9
105.07032	11.2
107.04973	3.8
107.08599	18.5
109.02905	14.1
109.06544	5.9
109.10164	52.3
111.04388	4.1
111.08092	11.8
111.11712	13.7
113.09665	4.9
114.46981	2.1
115.03908	5.1
116.98663	3.2
117.01784	2.7
117.07028	4.3
119.08570	10.8
121.10145	13.4
123.11717	29.3
125.09635	4.8
125.13251	4.4
127.03931	33.7
127.11201	4.1
131.08585	8.1
133.10115	8.1
135.08066	5.1
135.11697	9.2
137.05959	3.5
137.09673	2.6
137.13287	13.8
143.08603	4.9
145.04997	10.0
145.06436	2.2
145.10153	6.9
147.02843	2.3
147.08096	2.8
147.11691	6.8
149.09558	3.9
149.13254	14.5
151.14883	12.3
157.10165	2.8
159.02934	6.5
159.08038	3.1
159.11757	4.7
160.98792	2.1
161.09589	4.7
161.13220	4.9
163.11171	2.9
163.14799	6.3
165.09131	2.5
165.16423	6.8
169.10164	3.8
171.11732	2.1
175.14857	2.8
177.09174	2.3
177.12698	2.3
177.16336	4.9
179.17993	5.2
183.11736	3.3
184.11566	5.2
186.81804	2.1
194.62793	2.3
197.18985	2.3
205.19511	2.9
215.10751	2.4
219.21107	3.7
220.02161	2.2
229.52214	2.7
231.04996	6.0
275.27441	6.3
281.28549	5.9
293.28424	20.4
311.29553	19.5
325.12128	2.6
349.20416	11.2
361.20758	4.3
365.23004	2.6
367.17960	3.3
367.21591	11.7
379.21536	9.2
383.29437	3.2
401.30453	8.0
416.23868	2.9
419.31668	3.4
505.31982	5.0
515.31921	3.3
541.33716	4.2
559.27509	28.6
559.34729	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	559.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58737	0.3
55.05509	0.4
56.28762	0.2
56.30046	0.2
56.96564	1.1
61.02919	0.3
63.19273	0.3
67.05512	0.6
69.07058	0.5
71.56414	0.4
79.05470	0.4
81.03431	0.4
81.07059	0.8
84.08178	0.3
85.02917	1.0
88.46417	0.3
91.03991	0.3
91.05480	0.6
93.07056	0.3
95.08627	0.9
97.02882	0.6
97.06514	0.6
98.97601	0.7
99.04523	0.4
101.06815	0.3
105.07024	0.5
107.08607	0.4
133.10150	0.5
145.10130	0.4
185.04822	0.4
197.10280	0.3
201.09702	0.3
203.05244	5.0
215.11383	0.3
249.08131	1.2
267.09045	14.3
285.10095	11.1
290.10648	0.7
299.11658	7.8
302.13916	0.3
308.12012	0.8
313.20114	0.9
317.12717	8.3
317.24655	0.7
331.21219	3.2
340.14404	0.8
343.21317	0.7
349.22623	6.8
361.22333	1.3
367.23337	1.8
379.24384	16.6
397.25623	17.8
415.49789	0.3
425.17847	0.6
497.31113	1.4
509.24384	0.6
527.25220	0.7
541.29395	0.5
559.30890	100.0
560.31445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95461	0.6
53.03905	0.9
55.01841	1.4
57.03378	0.7
67.05455	2.1
69.03386	1.2
69.07078	5.7
70.06561	0.7
79.05502	5.3
81.03431	0.7
81.07009	1.0
83.04942	1.4
84.35802	0.6
85.02869	0.8
91.05464	1.6
97.02870	0.8
97.06534	26.4
109.10142	0.9
122.03598	1.9
124.05143	1.4
131.04913	0.8
133.05161	1.8
134.05966	1.5
137.05984	24.8
138.04781	0.8
143.04837	0.8
147.04376	2.0
149.05966	1.1
150.05489	0.8
151.03848	1.1
152.07056	0.9
162.05510	10.3
163.06216	1.4
164.07002	1.7
165.07021	1.5
175.03877	1.0
177.05499	0.9
177.06981	1.6
181.06413	2.2
183.77800	0.7
187.03882	1.2
190.04936	0.9
193.06442	2.2
194.07248	1.2
195.08124	1.3
197.09608	0.8
199.07605	0.9
205.06554	5.6
209.06027	0.8
210.06804	1.5
210.09134	1.1
211.07544	2.1
220.05353	1.0
220.07568	1.9
221.06009	4.8
222.06790	3.8
223.07515	5.8
225.09038	1.9
227.07043	0.8
229.14319	2.6
233.05963	3.6
234.06664	1.1
235.07576	2.1
237.09018	2.5
238.06351	1.5
238.08580	3.9
239.07085	4.4
240.08005	0.8
241.08588	2.3
242.09314	2.1
247.07652	1.0
248.06958	3.5
249.05444	4.5
249.07788	1.6
250.06242	7.4
250.08618	1.6
251.07027	12.8
252.07846	0.9
252.10233	2.5
253.08597	5.3
254.09261	2.2
258.11401	1.5
259.12073	1.9
260.12888	5.3
263.07071	3.1
264.07822	2.8
265.08881	6.4
266.08133	5.5
267.06467	3.2
268.07260	1.4
269.08139	3.3
270.08826	2.1
270.11389	2.0
276.01779	0.7
277.05029	1.1
277.08429	0.6
278.05710	7.3
278.08237	1.1
279.06464	3.3
279.10080	2.1
280.06784	1.1
280.09686	12.6
281.08014	6.1
281.10593	2.7
282.08804	9.3
282.11667	0.7
283.09616	9.2
285.09766	1.5
292.07236	5.5
292.09918	0.9
293.08057	18.1
294.07727	4.3
295.05945	1.8
295.09293	1.3
296.06747	1.5
297.07523	2.4
298.08298	6.3
298.10913	1.0
299.08978	0.9
300.12326	2.0
307.09683	1.5
307.13016	0.9
308.09207	2.0
309.07828	1.6
309.10263	8.8
310.08209	12.1
311.09119	10.5
321.07773	1.4
327.10904	0.8
329.11426	0.8
332.10468	0.9
335.12808	1.6
345.11050	1.1
347.12595	1.8
351.12283	0.8
361.14417	4.7
364.15671	0.8
377.14160	1.0
379.15439	6.8
389.13928	5.3
395.14899	11.5
396.18124	7.8
396.23016	1.1
406.16519	20.6
407.14941	25.3
407.20349	1.2
424.17560	100.0
425.16998	1.6
558.19739	27.6
558.28784	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01869	2.0
55.05517	14.3
57.03445	4.9
57.07064	3.1
65.03944	1.5
67.05510	31.5
69.07077	11.3
69.36101	2.4
69.36509	5.2
71.05013	1.3
79.05497	22.4
81.03437	2.1
81.07058	28.3
83.04982	3.1
83.08629	6.9
83.63303	1.0
85.06544	2.0
91.04904	1.3
91.05482	26.1
93.06471	1.9
93.07047	25.5
95.04967	3.8
95.08610	19.5
95.40939	0.9
95.49129	0.8
97.06545	2.7
97.10181	3.1
98.46150	0.9
99.08082	1.6
103.05470	1.3
105.07043	25.8
107.04947	2.5
107.08604	12.8
109.06545	2.5
109.10152	8.0
111.08075	1.8
115.05475	1.9
117.07033	12.3
119.04952	1.2
119.08584	19.6
121.06486	2.0
121.10168	8.6
123.08105	2.5
123.11716	1.6
125.09632	1.6
128.06233	4.2
129.07007	13.9
131.08577	20.8
133.10152	13.1
135.08070	1.5
135.11717	6.6
141.06975	5.9
142.07793	2.2
143.08560	19.0
144.09375	1.2
145.06458	2.0
145.10133	20.3
147.08067	2.2
147.11691	11.4
149.09689	1.3
149.13268	2.7
153.06935	2.5
154.07782	1.5
155.08557	14.5
156.09377	1.4
157.10129	15.4
159.11700	15.4
161.09642	2.3
161.13234	8.2
163.11151	1.0
165.07048	1.8
167.08620	5.4
168.09381	1.7
169.10123	16.6
170.10957	1.3
171.11685	16.4
173.13266	8.7
175.11238	1.3
175.14864	3.9
177.12712	1.4
179.08586	1.5
180.09268	0.9
181.10132	7.9
182.10921	1.7
183.11688	12.4
185.09634	1.2
185.13301	11.3
187.11154	1.5
187.14844	2.8
189.12756	2.0
193.10184	3.1
195.11768	10.0
197.13271	10.1
199.14830	8.2
201.12894	1.2
201.16365	2.4
207.11740	3.1
207.13853	3.7
209.13272	6.5
211.11369	1.0
211.14822	7.0
213.16373	7.1
215.14519	1.1
219.11688	1.0
221.13416	2.9
223.14992	5.2
225.16389	3.4
227.18008	1.5
231.21194	1.4
235.14877	2.0
237.16383	4.5
239.18044	2.1
241.19472	6.3
243.21078	1.0
247.17024	1.7
249.16481	1.1
251.17989	1.3
257.18997	2.1
259.20602	11.1
279.15939	3.8
281.17371	8.8
287.20303	1.3
297.22113	2.2
299.24008	1.2
309.22177	1.2
313.21689	2.0
321.22186	1.6
325.21555	1.6
333.24554	5.3
335.23810	2.7
337.25024	1.3
339.23386	2.4
349.25244	3.1
349.77261	0.9
353.24820	2.6
355.26642	1.1
367.26077	1.3
419.33316	3.7
429.31662	4.5
437.34143	9.6
447.32614	20.0
455.35095	1.2
465.33716	19.7
483.34824	15.2
501.35788	3.6
503.35461	2.6
509.36255	1.1
521.36371	10.0
527.37421	2.6
529.38971	7.9
539.37366	100.0
555.05908	1.1
556.97095	1.0
557.38452	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	557.3451
Annotation	Revandchinone 4
Peak:m/z	Relative Intensity
54.08851	0.3
57.07066	0.4
81.07062	0.5
89.06052	1.1
93.07031	0.4
95.38564	0.4
98.20782	1.1
119.71883	0.3
132.39822	0.4
152.86320	0.3
235.09143	0.3
251.12564	0.7
265.14224	1.7
267.12177	0.5
272.48541	0.4
315.19296	0.9
329.21011	2.3
429.42386	0.4
557.34515	100.0
558.34705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15084	0.3
55.05506	0.7
65.63282	0.4
67.05483	1.3
69.07040	0.6
71.00494	0.8
79.05499	0.4
81.07047	0.9
88.07632	0.5
89.06028	1.0
91.05483	0.9
93.07032	1.3
95.08611	0.5
97.70042	0.4
102.09193	0.4
105.07016	0.8
107.08585	0.6
109.10138	0.6
119.08568	0.8
121.10172	0.8
133.08575	0.6
133.10080	0.4
136.42966	0.4
146.62729	0.4
215.27812	0.4
228.10147	0.4
228.89162	0.5
237.23547	0.3
256.03061	0.4
256.26382	2.2
281.13605	100.0
282.13965	0.6
284.29349	2.3
459.70660	0.4
519.03558	0.4
546.60669	0.4
556.53015	0.4
557.34906	1.8
573.87317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.4
53.03941	4.3
53.91170	1.2
55.01861	2.9
55.05513	17.4
55.79520	0.9
57.03186	0.9
57.03426	5.0
57.07063	2.2
65.03956	1.9
67.05503	30.0
68.11433	1.0
69.03428	1.4
69.07070	13.3
69.75706	2.9
69.76101	1.7
69.97247	1.1
71.04996	2.3
75.18169	1.0
76.23438	1.1
79.05492	29.8
81.03410	2.9
81.07053	27.4
83.04987	3.1
83.08606	8.4
85.06516	2.3
91.05479	30.4
93.07042	30.4
95.04980	4.0
95.08607	23.2
97.06535	5.2
97.10188	3.8
105.07027	23.4
105.07686	1.7
107.04979	3.8
107.08580	13.1
109.06510	2.2
109.10172	8.8
111.08115	2.0
115.05487	1.6
115.73291	1.0
117.07027	13.1
119.08574	23.3
119.09360	1.8
121.06520	1.8
121.10120	6.8
123.08092	3.1
123.11677	1.7
125.09646	1.5
128.06245	3.1
129.07008	14.2
131.08565	22.7
133.10133	14.2
135.11681	6.6
137.09616	1.9
141.06960	6.1
142.07823	3.4
143.08572	18.1
145.10130	20.0
147.08011	1.8
147.11699	13.9
149.09615	1.5
149.13300	3.3
154.07791	2.2
155.08556	14.6
156.09399	1.3
157.06502	1.2
157.10121	15.0
157.11311	1.3
159.08084	1.6
159.11678	13.5
161.09654	1.9
161.13222	8.1
163.11234	2.4
163.14906	1.3
165.07028	1.6
166.07756	2.0
167.08595	5.0
167.29962	1.0
168.09404	2.8
169.10129	17.0
171.08073	1.2
171.11678	17.5
173.09723	1.4
173.13292	9.9
175.14865	4.4
178.60275	1.0
179.08575	2.4
181.10089	9.0
182.10930	2.4
183.11696	14.8
185.13235	10.3
187.11235	1.6
187.14803	5.0
189.12830	2.3
193.10231	2.7
195.11679	9.7
197.13255	11.7
199.11276	1.1
199.14880	6.2
201.12839	1.4
201.16409	2.1
207.11752	2.3
207.13855	3.4
209.13176	5.1
211.14818	6.3
213.12912	1.7
213.16380	8.0
219.11659	1.2
221.13263	2.6
223.14854	5.2
225.16432	3.3
227.12669	1.3
227.17863	1.5
231.21239	1.2
233.13268	1.5
235.14915	2.0
235.16992	2.0
237.16484	3.7
239.18019	2.3
241.19560	6.2
244.98808	1.1
247.17029	1.3
249.16397	1.8
257.19189	1.5
259.20554	11.3
275.20175	2.6
277.21924	1.3
279.16077	2.6
281.17365	7.1
285.18481	1.2
295.20718	1.3
297.22180	1.9
299.20255	1.5
307.20633	1.5
309.22308	2.0
311.20181	1.7
313.21649	1.3
315.23108	1.3
323.23679	2.2
325.21667	1.7
327.23300	1.9
333.24414	3.2
335.23596	1.3
337.25369	1.4
339.23407	1.9
341.24741	1.6
349.25351	2.1
353.24896	2.2
367.26282	1.8
379.26740	1.2
419.33270	3.0
429.31604	4.7
437.34213	8.1
447.32532	17.6
465.33679	20.9
483.34714	16.1
501.36014	1.5
503.35504	1.8
511.38058	2.6
521.36243	7.1
527.37549	2.3
529.38922	7.5
539.37329	100.0
557.38440	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07041	0.3
58.63818	0.3
67.05499	1.0
69.07047	0.4
69.32818	0.8
69.33238	1.9
70.36742	0.4
77.50143	0.3
79.05509	0.7
81.07052	0.9
88.07640	0.3
89.06020	0.6
91.05479	0.6
93.02209	0.3
93.07030	0.7
95.08615	0.6
96.94924	0.3
105.07036	0.7
107.08590	0.9
109.10120	0.4
119.08595	0.4
123.31551	0.3
131.66689	0.3
133.08646	0.6
156.60684	0.3
256.26379	1.2
281.13596	100.0
282.13995	0.5
284.29459	1.9
557.34039	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.2
54.49454	2.5
55.01870	5.0
55.05511	27.2
57.03429	8.8
57.07066	8.6
61.02919	6.8
67.05502	39.1
69.03431	38.3
69.07071	44.8
71.04997	11.6
71.08614	3.5
71.56817	3.9
73.02917	5.5
79.05493	24.3
81.03420	45.1
81.07058	100.0
83.04983	5.5
83.08619	19.8
85.02901	39.2
85.06532	10.9
87.00829	11.7
87.04464	2.6
91.05474	16.9
93.07043	35.6
95.04994	11.7
95.08608	78.7
97.02890	18.7
97.06518	11.6
97.10165	12.2
99.04456	10.1
99.08091	8.2
100.33195	2.5
101.02343	2.5
105.01864	6.7
105.07036	23.1
107.04926	4.0
107.08595	28.7
109.02885	34.0
109.06539	7.7
109.10147	46.5
111.04409	5.1
111.08085	3.1
111.11752	11.5
115.03929	2.8
117.06999	3.3
119.08582	17.4
121.06525	4.2
121.10139	22.1
123.00886	2.7
123.04437	5.8
123.11723	26.9
125.09630	5.3
125.13267	2.6
127.03915	42.2
129.06964	2.8
131.08566	8.2
133.06543	3.7
133.10124	10.5
135.08031	2.9
135.11694	18.4
137.05963	6.6
137.09628	3.9
137.13289	12.6
145.04985	4.9
145.10130	8.0
147.08054	3.2
147.11682	11.0
149.05870	3.0
149.09676	2.8
149.13264	26.0
151.14815	5.1
155.08582	3.3
157.10141	3.3
159.08080	3.6
159.11684	6.9
161.13245	8.8
163.14851	8.3
165.12781	4.2
165.16405	2.8
171.11752	3.4
173.09706	4.5
173.13284	5.9
177.16400	7.8
183.11600	3.3
184.07442	2.4
191.17899	2.4
197.13268	2.7
199.14845	3.4
203.17923	4.3
213.03946	8.1
231.05009	12.0
249.06248	2.9
273.25748	6.6
279.26895	5.3
284.86572	2.6
291.23856	2.4
291.26761	12.6
309.27777	12.9
369.28094	4.0
381.27786	4.5
387.28983	3.9
399.28931	6.1
405.29929	3.8
408.45645	3.1
417.29947	5.6
458.70319	3.1
485.28894	3.6
503.29831	8.5
509.30746	4.0
521.31189	7.7
539.32184	5.8
557.25891	12.2
557.32672	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	555.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.3
55.05504	0.9
58.69432	0.3
67.05514	1.7
69.07055	0.9
71.56792	0.3
71.57195	0.3
73.56330	0.3
76.69640	0.3
79.05502	2.1
81.03400	0.4
81.07059	2.2
83.08614	0.5
86.09697	0.6
91.05488	1.7
93.07042	1.3
95.04979	0.6
95.08611	1.1
97.02886	0.5
97.06540	0.9
100.01077	0.3
105.07036	1.3
107.04986	0.3
107.08605	0.8
109.06551	0.3
109.10162	0.7
111.08158	0.3
117.07015	0.7
119.08590	0.6
121.10143	0.5
129.06932	0.3
131.08566	0.8
133.10129	0.8
135.11664	0.4
137.05923	0.3
145.10091	0.4
147.11719	0.6
149.09554	0.3
159.11745	0.3
171.11736	0.3
184.07329	0.9
185.04253	0.4
203.05331	0.9
251.00165	0.3
257.18958	0.4
259.08047	0.9
275.20007	1.2
364.67822	0.3
393.26154	1.2
393.95023	0.3
450.99222	0.3
511.32297	1.2
523.19702	0.4
525.33154	0.3
537.29913	0.8
555.31335	100.0
556.31677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95633	0.3
55.05505	0.6
56.96559	0.4
57.03431	0.3
59.14693	0.3
61.02936	0.5
61.31758	0.3
66.55772	0.2
67.05495	1.1
69.03419	0.4
69.07073	0.4
73.02964	0.3
79.05481	0.9
81.03429	0.4
81.07059	1.0
83.08636	0.3
85.02906	0.4
86.09698	0.6
91.05476	0.9
93.07029	0.7
95.04953	0.4
95.08588	0.6
97.02901	0.4
97.06510	0.5
105.07035	0.6
106.22309	0.3
107.08562	0.3
109.06483	0.5
119.08579	0.6
129.07019	0.6
130.07817	0.3
133.10120	0.3
137.06024	0.5
145.10123	0.5
159.08102	0.3
176.10744	0.3
184.07353	1.3
203.12630	0.3
204.10231	0.5
205.10684	0.4
208.57642	0.3
217.05595	0.3
218.53926	0.3
219.51736	0.3
259.15131	0.3
285.10178	0.4
303.17795	0.3
319.21085	0.7
363.55798	0.3
393.25928	1.0
510.32187	0.5
511.32565	6.3
537.30237	1.1
555.31293	100.0
556.31329	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.9649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09489	0.3
52.70890	0.2
56.96569	4.7
61.46955	0.2
71.55014	0.4
71.95276	1.3
98.97585	69.3
116.98624	33.5
121.17275	0.2
134.99660	9.8
140.00203	0.7
153.00671	0.8
154.93286	0.3
158.01257	0.4
159.47806	0.3
172.94354	2.7
177.00963	0.7
190.95396	3.1
198.84160	0.2
208.96411	1.1
212.63808	0.3
214.95351	3.8
219.02060	0.8
230.98546	0.4
232.96469	6.0
235.00011	0.3
240.98938	0.3
250.97552	2.6
254.93369	0.4
256.96420	19.6
258.99838	3.2
259.99957	0.8
261.00336	0.4
261.03091	2.6
262.03165	0.6
263.02982	0.6
272.94434	0.7
274.97513	100.0
275.97986	0.4
277.00873	3.3
278.00946	0.7
279.00568	0.5
282.99841	1.7
284.00049	0.6
284.99738	0.7
288.92218	0.5
288.99042	0.2
290.95493	0.5
292.98569	47.2
294.98859	0.3
297.99057	2.9
298.97806	0.8
300.97800	0.5
301.01071	1.9
302.01166	0.7
302.96515	0.3
303.00793	0.7
314.95404	0.6
316.00177	1.0
316.98816	0.8
318.98343	0.4
330.93378	0.5
332.96545	0.5
388.91785	0.3
390.95230	0.4
396.94479	0.9
398.97748	5.1
399.92712	0.3
414.95386	36.2
416.98712	8.1
425.01114	0.4
426.01343	0.3
430.93155	0.8
432.96454	36.7
434.99725	1.1
443.02368	0.7
444.02451	0.4
445.02173	0.7
446.02454	0.4
450.97491	3.9
455.97952	1.8
472.94324	1.1
514.96094	0.6
536.40869	0.4
538.95782	0.4
544.91699	0.4
556.96570	17.4
574.97760	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38054	0.2
55.05513	0.2
56.96567	0.3
57.52921	0.2
65.45911	0.2
69.38737	1.1
78.23368	0.2
79.05495	0.2
81.07047	0.2
86.09712	0.5
96.01872	0.4
104.10749	0.6
107.08592	0.2
112.99145	0.2
124.99982	0.3
128.04559	0.2
133.03462	0.2
138.52943	0.3
157.04713	0.4
157.53683	0.3
160.31779	0.2
169.04622	0.3
184.03470	0.4
184.07336	1.0
185.04216	3.1
201.03766	1.3
259.07855	0.4
275.07397	1.2
278.63959	0.4
293.05493	0.2
299.18707	0.3
301.08932	0.6
317.19669	0.4
321.16614	0.3
331.09943	3.6
345.11401	0.6
359.13077	0.7
373.14725	0.9
391.24518	0.9
401.17883	0.6
415.19376	1.1
441.20972	0.5
455.22504	0.5
483.22003	2.0
518.32458	0.4
535.28461	0.6
553.29828	100.0
554.30286	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2983
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
55.10015	0.2
62.38221	0.2
67.05496	0.3
69.98769	1.0
83.01099	0.8
84.01908	0.5
86.09716	0.6
93.07014	0.4
95.01088	0.9
96.01857	0.5
98.21251	0.4
113.99300	0.2
125.00032	0.4
138.52940	0.3
139.03673	0.3
156.03993	0.4
157.04704	0.3
181.02600	0.2
184.03439	0.4
184.07367	1.7
185.04210	1.3
201.03748	1.4
203.05234	2.0
259.07904	2.4
278.63956	0.2
299.18338	0.2
301.80823	0.2
317.19785	0.4
331.09998	3.2
333.17468	0.3
335.20386	0.3
345.11594	0.4
359.13202	0.9
373.14764	0.7
387.12381	0.3
391.24637	0.8
401.17871	0.7
415.19418	1.2
441.21216	0.5
455.22592	0.6
483.22153	2.2
535.28485	0.4
553.29834	100.0
554.30200	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.01871	4.5
55.05510	28.8
57.03451	4.3
67.05505	53.5
69.03424	6.9
69.07064	22.6
69.34607	3.1
71.05007	6.3
71.56402	3.3
71.56776	5.4
79.05499	44.2
81.03408	3.8
81.07061	74.1
82.33707	3.8
83.04983	4.6
83.08631	19.8
85.06532	6.7
85.26810	3.5
91.05486	32.6
93.07056	47.5
95.04935	10.6
95.08615	44.6
96.73153	3.5
97.06532	7.9
97.10181	23.8
105.07042	27.2
107.04951	4.2
107.08586	38.4
109.06557	7.0
109.10168	31.4
111.08038	7.4
111.15355	3.1
116.76102	3.3
117.07028	14.4
119.08608	29.5
121.06495	3.7
121.10146	26.8
123.08125	5.8
123.11696	5.5
125.09646	17.0
129.07001	7.2
131.08563	21.3
133.09245	3.7
133.10139	22.7
135.08047	4.6
135.11691	17.0
137.09584	8.1
143.08577	8.0
145.10121	15.1
147.11671	21.8
149.09633	5.6
149.13249	14.7
151.11186	4.5
155.08565	5.0
157.10123	8.2
159.11684	12.5
161.13284	4.3
163.11217	5.7
165.12842	4.7
171.11716	6.9
173.11778	4.2
173.13229	12.2
177.12714	8.4
185.13155	4.9
187.14813	4.7
189.16211	3.8
193.12029	3.7
195.13834	4.8
203.12756	6.7
208.53836	3.7
225.14761	3.6
233.15419	5.9
233.92906	3.9
253.18118	5.0
267.19531	4.0
279.19586	5.7
291.23181	22.7
331.26196	4.8
435.32693	5.7
467.35034	4.1
471.34494	3.9
473.35864	5.6
485.36069	11.0
491.37323	5.2
499.37659	10.9
503.37186	18.0
517.38940	100.0
535.40039	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	552.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71968	4.5
55.01868	6.5
55.05499	21.7
56.56577	4.6
57.03430	17.6
57.77088	4.6
67.05508	49.1
69.03429	5.9
69.07079	29.7
69.23362	11.2
69.23777	43.6
76.43233	5.1
79.05489	40.6
81.03418	5.7
81.07056	58.4
83.04984	6.8
83.08614	8.2
85.06530	8.5
91.05487	42.0
93.07038	64.7
95.04968	21.8
95.08602	37.9
97.06516	15.3
104.10767	6.1
105.07025	45.0
107.08597	26.9
108.95071	5.0
109.06520	12.6
109.10172	24.9
119.08568	33.2
121.10139	28.7
123.08057	24.4
125.09632	22.1
129.07010	7.0
131.08586	12.0
133.10094	18.4
135.11665	12.8
137.09593	14.3
139.11205	6.6
145.10110	9.7
147.11670	21.5
149.09628	19.2
149.13252	6.6
150.49319	5.3
159.11665	12.0
165.12799	5.5
165.90361	6.8
167.10646	40.9
175.11154	7.4
181.12231	6.9
183.10231	5.6
184.07353	12.2
193.12268	22.5
211.13295	100.0
275.20062	12.9
282.70410	5.9
291.23303	26.0
384.32715	5.3
552.41296	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	552.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01857	4.5
55.05507	18.0
67.05173	1.7
67.05501	19.4
69.07066	8.1
71.04964	1.8
71.84928	1.1
79.05486	18.2
80.81808	1.1
81.03405	5.5
81.06584	2.0
81.07053	24.6
83.04961	4.7
83.08617	17.3
85.06506	1.1
90.77353	1.1
91.05473	21.5
93.07044	20.5
95.04958	26.4
95.08611	13.5
97.06519	5.0
97.10152	4.2
99.08065	1.2
99.37756	1.1
105.07022	24.2
105.55756	1.2
107.04958	10.6
107.08584	15.8
109.06512	4.6
109.10131	4.8
111.08066	4.2
117.06998	9.7
119.08579	20.2
121.06508	3.2
121.10133	13.0
123.08033	5.7
123.11700	4.0
125.09647	7.2
129.06975	2.8
130.07784	1.7
131.08554	11.3
133.10139	17.6
135.08029	4.4
135.11705	6.0
137.09564	2.6
138.80423	1.2
139.65923	1.2
143.08539	3.3
145.10120	17.4
147.08055	4.0
147.11682	13.3
149.09616	17.2
149.13234	1.6
151.11143	3.7
153.09041	1.6
155.08528	2.4
157.10091	4.7
159.11659	9.3
161.13239	2.8
163.11180	22.5
165.12706	7.1
169.10112	3.3
171.11684	2.9
173.09637	2.5
173.13261	3.7
175.11116	1.6
175.14780	1.5
177.09219	1.3
177.12761	1.9
183.11691	2.0
187.11208	2.3
187.14754	1.6
197.13316	2.3
203.12794	7.1
205.12259	3.3
223.13260	8.5
229.14314	1.9
229.19476	2.3
237.14868	13.5
239.17921	8.7
243.15935	1.9
247.20776	1.5
257.18924	13.0
263.16122	1.2
275.20050	100.0
289.21542	5.0
293.21121	16.8
307.22653	49.0
385.58420	1.6
463.89261	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01863	2.5
55.05520	11.1
57.07074	2.0
59.04999	2.2
61.73736	1.7
64.39876	1.9
67.05508	31.5
69.07072	17.8
69.56842	11.5
73.06548	2.4
73.94350	1.7
78.23202	1.7
79.05069	3.7
79.05499	57.3
81.07062	39.8
83.04960	3.6
83.08614	6.9
89.61690	1.8
91.05480	23.9
93.06479	4.0
93.07052	78.3
95.04970	5.9
95.08614	27.8
97.06543	4.5
97.10151	3.5
98.21445	4.4
105.07041	17.2
107.08603	39.2
109.06499	2.6
109.10162	16.1
111.04424	3.6
111.08123	2.0
115.07607	2.0
117.07004	3.6
119.07866	2.4
119.08597	16.9
121.10153	40.1
123.11693	3.1
129.07057	2.2
131.08588	11.1
133.10162	17.0
135.11693	36.5
137.09633	3.2
143.08528	3.4
145.10133	7.0
147.11716	11.0
149.09621	4.0
149.13277	25.5
151.01875	1.7
157.10245	2.4
159.11708	5.9
161.13263	6.5
163.11182	4.1
163.14809	7.3
171.11740	3.8
173.13242	4.5
175.14862	5.0
177.12785	2.1
184.07401	3.9
185.13281	4.7
209.15373	2.2
227.12770	8.0
231.47272	2.0
241.19479	7.0
249.18413	3.6
259.20584	11.5
275.20166	4.4
284.80084	2.0
291.23203	100.0
293.20947	2.4
467.21860	2.0
552.41150	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	552.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31609	0.1
56.05031	0.4
58.06607	0.3
60.08163	6.8
65.97107	0.2
67.05503	0.2
69.97788	0.3
69.98175	0.4
71.07370	2.8
76.61134	0.2
79.77855	0.2
81.07024	0.2
84.81667	0.2
85.45843	0.2
86.09703	29.8
91.55908	0.2
95.08614	0.2
97.27966	0.1
98.98462	2.7
104.10738	6.4
125.00000	21.1
164.53122	0.2
165.50313	0.2
174.40985	0.2
184.07335	100.0
185.07675	0.3
258.10910	0.2
452.23788	0.8
516.30560	0.5
534.31952	3.0
552.32977	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	552.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.8
55.01868	1.2
55.05513	13.8
57.07071	2.3
65.03913	1.3
67.05507	23.9
69.07069	12.6
69.24091	7.7
71.04962	1.5
79.05499	49.5
81.06586	1.3
81.07057	25.2
83.04976	2.8
83.08620	5.6
85.06525	1.0
89.25507	0.7
91.05484	24.5
93.07050	64.9
95.04985	3.8
95.08055	1.5
95.08608	16.4
96.34644	0.8
97.06536	9.2
97.10150	3.7
104.10745	1.3
105.04520	1.7
105.07036	12.5
107.08601	34.3
109.06541	1.3
109.10169	11.5
111.04398	2.5
111.08083	1.2
111.11676	1.1
117.07031	4.3
119.04927	1.2
119.08586	10.7
121.10149	31.0
123.08077	1.2
123.11671	2.2
125.09606	1.1
129.07022	2.0
131.08585	4.7
133.06442	0.8
133.10147	11.1
135.08054	1.3
135.11702	38.8
137.05994	7.5
143.08539	2.2
145.10156	4.0
147.11670	5.5
149.09564	1.1
149.13261	15.9
153.12782	0.9
157.10146	1.3
159.11700	3.9
161.13208	2.3
163.11156	2.1
163.14845	3.6
163.75537	0.8
167.10709	0.8
171.11662	2.1
173.13257	2.3
175.11034	1.0
175.14851	1.5
177.16185	0.9
181.12254	2.5
184.07404	1.6
185.13306	2.6
189.09076	1.5
191.10643	2.9
193.12265	0.9
195.13766	2.2
199.14879	1.6
203.14401	0.9
207.13818	2.0
207.93224	0.7
209.11633	1.1
213.16405	1.2
221.15382	3.9
227.12791	6.7
231.17430	1.8
233.11674	1.3
235.16916	3.0
241.14362	13.6
241.19485	1.5
259.20477	2.9
277.21634	100.0
360.41940	0.8
467.58124	1.1
520.30365	1.4
552.33295	17.1
552.41400	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15420	0.3
55.01865	0.4
55.05498	1.1
55.58640	0.3
56.05024	1.2
58.06602	1.3
59.07370	0.4
60.08164	16.0
64.91853	0.3
67.05496	1.2
69.07053	0.6
69.73356	1.9
69.73701	0.4
71.07374	6.6
71.08611	0.3
79.05492	1.2
81.07055	0.9
86.09704	46.7
86.97365	0.3
91.05512	0.6
93.07050	0.8
95.04979	0.4
95.08595	0.4
98.98472	3.7
104.10741	100.0
105.11056	0.3
107.08623	0.4
108.97755	0.3
112.53164	0.3
119.08574	0.4
121.10144	0.4
125.00002	25.4
142.99989	0.3
163.01556	0.4
184.07336	91.7
217.02008	0.4
227.29686	0.3
258.11023	1.2
351.25366	0.4
434.23166	1.1
447.44101	0.3
452.24011	6.7
468.30069	0.3
506.51059	0.4
516.31018	3.3
534.31921	20.9
548.60535	0.3
552.32959	17.7
556.73407	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.3
56.05018	0.6
58.06617	0.6
59.07384	0.2
60.08163	7.9
67.05496	0.3
67.22501	0.2
69.07050	0.2
70.95670	0.4
71.07375	3.2
79.05486	0.3
81.03381	0.2
81.07061	0.2
83.08659	0.2
86.09704	33.6
87.10027	0.4
91.05487	0.2
93.61431	0.2
97.10134	0.2
98.98465	3.3
103.18644	0.2
104.10741	15.9
105.11090	0.6
109.10133	0.2
110.72127	0.2
125.00003	22.2
125.09656	0.3
126.00307	0.2
163.82730	0.2
179.90239	0.2
184.07335	100.0
185.07718	0.9
186.07784	0.6
189.11241	0.2
258.11014	0.5
351.25259	0.2
362.50287	0.2
516.30634	0.5
534.31854	7.1
552.32922	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	552.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.1
56.05027	0.4
57.03422	0.2
58.06610	0.5
59.07394	0.2
60.08163	6.9
66.32050	0.1
66.88449	0.2
67.05502	0.4
70.20618	0.3
70.21009	0.3
71.07375	3.3
79.05522	0.2
81.07029	0.3
83.55358	0.2
85.59740	0.2
86.09705	30.7
91.05479	0.2
93.07055	0.2
98.98464	2.7
104.10741	11.4
105.07009	0.2
125.00004	21.1
137.63318	0.1
140.68983	0.1
184.07336	100.0
185.07538	0.1
216.16447	0.2
226.43785	0.1
258.11053	0.4
434.22958	0.3
452.23999	1.7
516.30664	0.4
534.31879	2.4
552.32983	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	552.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01876	1.0
55.05511	1.7
57.03430	2.8
57.07053	0.8
60.08157	2.3
61.02921	1.5
64.58961	0.6
67.05506	4.7
69.03429	14.1
69.07062	2.9
69.80556	3.7
71.04971	1.0
71.07371	1.0
73.02913	1.6
79.05493	7.6
80.09585	0.6
81.03422	6.2
81.07057	100.0
83.04972	1.5
83.08654	0.9
85.02905	19.1
86.09708	8.4
87.00826	8.3
87.04462	2.5
91.05460	1.5
93.07030	1.7
95.04974	0.8
95.08610	12.8
97.02895	20.5
97.06525	1.6
98.98521	0.6
99.04456	3.6
100.81867	0.7
104.10748	9.3
105.01865	12.6
105.07051	0.9
109.02895	4.6
109.10143	1.6
111.04474	1.3
115.03933	7.1
119.08666	0.7
121.06510	0.7
121.10157	1.0
123.08035	0.6
124.99997	4.7
127.03922	14.1
129.05527	0.8
131.08638	0.9
133.04982	3.3
133.10243	0.6
135.04436	0.7
137.06056	0.9
137.13260	20.1
139.03932	1.8
145.04959	6.9
147.02969	0.9
149.13191	0.7
150.07628	1.4
154.15944	1.8
159.02914	2.0
159.04295	0.8
169.01421	0.8
177.05534	1.5
177.94835	0.6
184.07339	20.9
184.08983	1.1
189.03931	1.0
201.03934	1.7
201.91574	0.6
205.04857	0.8
213.04004	1.2
219.04991	1.0
223.06001	1.2
231.05011	5.1
241.07162	2.8
249.06126	2.7
327.07092	3.7
345.08139	7.9
363.09320	2.3
370.67142	0.8
373.15265	0.9
381.09872	0.7
472.27094	1.4
490.28143	2.2
534.31799	6.4
552.32239	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	551.1036
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
51.88099	0.3
53.03946	1.7
55.01879	1.7
55.05519	0.3
57.03442	1.3
61.02916	1.4
65.03942	0.2
67.05514	0.4
68.99793	1.5
69.03086	0.4
69.03433	6.5
69.07067	0.3
70.06579	0.8
71.04987	1.2
71.56571	0.4
73.02927	1.4
79.05486	0.4
81.03422	7.8
81.07053	0.6
84.08167	0.5
85.02910	10.9
85.26550	0.2
86.09715	0.3
87.00832	5.2
91.03950	0.8
91.05485	0.4
93.07060	0.4
95.04953	0.5
95.08627	0.3
97.02899	4.4
98.97574	0.3
99.04461	2.5
105.01877	2.5
105.07031	0.6
109.02889	5.2
111.00832	0.5
117.01846	1.2
121.02879	0.6
123.04412	0.5
125.06036	0.3
127.03930	8.3
129.01865	0.4
133.06454	0.3
136.07518	0.3
137.02361	2.6
137.05997	0.9
145.04994	2.4
145.10191	0.3
147.02986	0.6
149.02324	0.4
153.01840	3.2
153.09058	0.3
155.04872	0.4
157.10097	0.3
158.99574	0.3
159.02905	5.1
159.08011	0.3
161.06033	0.4
163.03882	0.6
165.01834	1.7
167.07123	0.3
172.03922	0.6
173.06033	0.6
183.02901	0.5
187.03979	0.3
195.02794	0.3
201.05501	1.3
204.06567	1.4
228.03841	0.3
229.04997	3.5
231.05020	1.8
247.05930	0.6
257.04413	2.2
274.04776	0.6
275.05493	0.3
285.03973	1.2
303.05005	100.0
304.05148	0.3
324.11514	0.7
324.61899	0.3
345.05899	0.4
534.16956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	15.0
54.85796	11.0
55.05504	41.9
62.82699	13.1
67.05512	100.0
69.07066	51.0
71.57125	13.1
79.05489	59.3
81.07064	93.1
83.04977	13.0
83.08601	30.6
91.05486	80.1
93.07047	76.6
95.04949	15.9
95.08607	65.0
97.06559	15.4
97.10170	21.8
105.07047	77.0
107.04974	17.1
107.08600	55.3
109.06536	12.6
109.10149	37.0
117.07020	24.7
119.08605	54.6
121.06547	12.6
121.10136	38.4
123.11690	11.8
129.06989	17.5
131.08517	62.4
133.06471	17.5
133.10150	58.1
135.11707	12.3
143.08572	32.9
145.10120	37.3
147.11702	34.6
154.99664	14.3
155.08546	18.8
157.10135	34.8
159.11682	33.8
169.10146	25.1
171.11746	21.6
173.13260	23.0
181.10107	16.9
183.11655	15.1
185.13339	20.5
197.13228	11.7
199.14734	13.2
211.14693	16.0
214.79059	12.0
223.14818	18.4
243.48242	11.3
257.44748	12.0
264.47855	11.4
275.20328	18.0
389.27020	17.1
433.30933	27.0
451.32074	33.8
483.34451	31.6
501.35800	19.2
515.37439	44.6
524.19281	14.7
550.62854	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	550.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
56.05028	1.1
57.03436	0.4
58.06581	1.9
59.07375	0.4
60.08164	17.0
67.05501	1.1
69.07069	0.9
70.07811	1.0
70.08208	0.8
71.04974	0.4
71.07373	6.8
79.05484	0.9
81.07058	1.4
86.09705	50.8
91.05472	0.8
93.07043	1.3
95.08617	0.8
98.98476	3.6
104.05314	0.4
104.10743	100.0
105.07042	0.8
115.50943	0.3
119.08651	0.3
125.00003	28.5
135.11678	0.4
148.52669	0.4
163.01573	0.4
184.07339	99.9
258.11008	1.1
309.17346	0.4
349.23593	0.5
365.15604	0.4
434.22943	1.0
438.22705	0.8
452.24008	7.5
514.29657	1.9
532.30304	13.8
550.31421	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	550.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.2
55.05508	1.4
56.05030	1.4
57.03423	0.4
58.06573	1.4
58.39200	0.1
59.07372	0.3
60.08161	16.7
67.05505	1.3
68.57250	0.1
69.03433	0.2
69.07064	0.8
70.06589	0.2
71.07374	7.0
71.08625	1.1
71.56487	0.2
71.62294	0.1
72.08149	0.2
79.05494	1.0
81.03416	0.6
81.07056	1.0
83.04953	0.4
83.08627	0.4
85.02867	0.2
86.09702	51.5
91.03938	0.2
91.05475	0.8
93.07033	0.6
95.04974	0.5
95.08615	0.3
97.06523	0.3
97.10152	0.5
98.98461	3.6
99.08125	0.6
104.10740	100.0
105.07026	0.4
105.11054	0.4
107.04958	0.2
107.08611	0.7
109.06517	0.2
109.10128	0.3
111.08109	0.1
119.08620	0.2
121.10136	0.3
124.99999	28.5
125.09690	0.1
131.08511	0.2
143.01047	0.3
163.01576	0.6
166.02579	0.2
177.12842	0.2
184.07332	89.8
185.07782	0.3
186.07872	0.2
199.03731	0.2
258.11008	0.8
293.21109	1.2
367.24893	0.3
408.17896	0.2
450.22556	0.2
454.40427	0.2
473.22766	0.8
532.30328	6.4
550.31390	42.6
551.31250	0.2
558.44354	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	550.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80370	0.1
54.89453	0.1
55.05498	0.2
56.05030	0.4
58.06620	0.5
59.07407	0.1
60.08162	5.6
61.35367	0.1
66.05142	0.1
67.05500	0.2
69.07048	0.1
69.80672	0.6
71.07372	2.7
71.08636	0.1
81.03416	0.2
86.09705	27.7
91.05453	0.2
97.06555	0.2
98.20779	0.1
98.98463	2.8
104.10747	3.3
125.00005	19.6
135.94685	0.1
184.07339	100.0
185.07797	0.2
201.20613	0.1
258.10956	0.2
293.21173	0.2
345.91647	0.1
411.24704	0.1
465.59207	0.1
482.41092	0.2
532.30414	1.2
550.31403	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	550.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.6
55.05500	1.2
55.33485	0.4
56.05028	1.5
56.96566	0.5
57.03429	0.6
58.06592	1.7
59.07361	0.6
60.08165	15.8
61.02937	0.5
67.05495	2.0
69.07063	1.2
70.50294	0.7
70.50638	0.9
71.07375	7.2
72.08147	0.4
79.05486	1.8
81.03397	0.4
81.07060	2.6
83.04950	0.6
83.08604	0.8
86.09708	50.1
91.05469	2.6
93.07033	2.0
95.04981	0.4
95.08595	1.2
97.02866	0.7
97.06559	0.5
98.97556	1.0
98.98464	3.8
102.80526	0.4
104.10746	100.0
105.07006	1.4
107.04941	1.0
107.08571	1.1
109.06519	0.7
109.10188	0.8
116.98647	0.4
117.07027	0.4
119.08586	1.0
121.10135	1.1
125.00005	26.8
125.09582	0.6
131.00169	0.9
131.08571	0.8
133.10120	1.2
135.11761	0.6
145.10078	0.5
149.01218	0.6
149.09683	0.5
158.99606	0.6
184.07346	86.1
228.59637	0.5
258.11096	1.4
259.20636	1.0
282.84009	0.4
284.12799	2.0
284.62872	1.2
293.05707	0.4
333.17441	0.9
349.23532	0.5
351.25290	0.4
450.22507	1.1
514.29572	1.0
532.30353	10.3
550.31445	30.6
551.28418	3.5
569.26239	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98487	0.3
55.01866	0.5
55.05501	1.0
56.05037	0.6
57.03423	0.4
58.06598	1.4
59.07379	0.6
60.08163	15.9
67.05495	1.1
69.07074	0.8
71.07372	6.2
71.08623	1.1
75.15262	0.4
75.41659	0.4
79.05486	1.7
81.03427	0.5
81.07039	1.6
81.30700	0.4
86.09705	48.7
91.05460	1.0
93.07041	0.9
97.10147	0.4
98.21555	1.3
98.98463	2.8
99.08115	0.5
104.10744	100.0
105.07024	0.8
107.08582	0.7
109.10135	0.7
120.27430	0.4
125.00005	27.5
133.10139	0.6
137.05904	0.4
150.12138	0.3
163.01506	0.6
174.34166	0.4
184.07341	83.6
199.98193	0.4
258.10992	0.9
261.51755	0.4
293.21051	0.9
327.96011	0.4
337.47617	0.4
337.84271	0.4
367.24677	0.5
414.93814	0.6
464.24054	1.6
473.22446	0.6
516.30542	1.1
532.22784	0.4
532.30353	6.0
550.31445	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	550.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.2
56.05038	0.6
58.06324	0.2
58.06617	0.5
59.07394	0.2
60.08164	7.0
67.05496	0.3
69.54045	0.6
71.07378	3.1
71.93192	0.1
73.09362	0.1
75.20204	0.1
76.27467	0.1
77.96398	0.1
79.05508	0.2
81.07063	0.2
86.09706	31.5
87.47288	0.1
91.05470	0.2
93.07037	0.2
97.10195	0.1
98.21474	0.2
98.98465	3.0
104.10746	7.6
113.47404	0.1
125.00005	22.3
129.67569	0.1
133.10085	0.1
135.49458	0.1
143.01079	0.2
144.23569	0.1
184.07341	100.0
185.07790	0.1
258.11124	0.3
293.21262	0.2
494.28369	0.1
532.30432	1.4
550.31433	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	550.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
56.05035	1.1
57.03428	0.2
58.06580	1.5
59.07377	0.2
60.08165	16.6
67.05516	1.3
69.07053	0.6
69.26124	1.7
71.07375	5.7
71.08631	0.8
72.08152	0.3
77.55842	0.2
79.05483	1.2
80.20670	0.2
81.07056	1.1
83.04972	0.3
86.09708	48.5
91.05482	0.7
93.07058	0.6
95.04960	0.3
95.08620	0.4
98.98462	3.7
99.08130	0.5
104.10745	100.0
105.07024	0.4
107.08587	0.5
109.10117	0.4
116.30154	0.2
119.08604	0.3
121.06505	0.2
121.74883	0.2
125.00005	26.0
133.10136	0.4
163.01514	0.4
164.01863	0.2
181.02589	0.2
184.07343	82.7
258.10968	1.0
293.21136	0.7
367.24988	0.3
450.22440	0.5
460.22946	0.2
473.23016	0.7
514.29987	0.3
532.30310	6.5
550.31421	47.3
551.31885	0.5
559.48175	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25554	1.0
53.03926	1.2
55.01871	1.0
57.03439	1.0
61.02926	2.1
61.64717	0.9
69.03432	5.6
69.52198	3.5
69.52610	2.4
70.06580	1.5
73.02940	1.1
81.03404	3.1
84.04504	7.3
85.02908	16.6
89.03912	2.8
95.01326	1.8
96.04494	4.4
97.02894	6.2
98.06058	1.9
98.97587	1.3
99.04512	1.4
101.02364	1.2
102.28353	1.0
107.04964	2.1
109.02884	3.2
117.02614	0.9
117.03370	3.4
123.04431	1.7
123.07925	0.9
126.05507	10.0
127.03909	2.6
131.04889	1.6
135.04425	9.1
137.02219	0.9
137.05977	1.5
138.03104	1.3
138.05499	24.0
139.03902	3.9
144.06586	5.0
145.02841	7.6
145.04955	2.8
147.04417	5.8
149.02339	2.6
149.06000	1.4
153.05469	100.0
159.04549	1.2
160.07553	1.1
161.05971	2.0
163.03906	94.0
168.06554	6.5
175.03894	4.2
177.01839	4.2
177.03963	1.7
177.05362	2.2
181.04927	3.9
186.07550	4.8
187.03922	2.0
188.07059	4.1
189.05429	2.9
191.03378	1.2
195.06541	54.6
203.03397	50.9
204.08670	11.9
205.05017	4.3
213.05444	1.5
215.03386	8.1
217.04883	1.4
218.08099	3.3
221.04474	1.3
229.04929	1.9
231.02963	7.1
233.04477	7.2
257.04382	2.2
261.03964	8.4
272.09534	0.9
275.05438	3.4
279.05017	12.8
285.69769	1.0
291.04968	14.9
303.04865	1.8
321.05981	11.2
339.07111	76.6
347.14255	1.2
352.11646	1.0
357.07852	1.3
370.12634	2.0
371.09772	10.6
388.13992	8.1
409.19135	0.9
525.76465	1.0
550.19458	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	550.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.01883	0.4
55.05521	0.2
55.75603	0.2
56.05035	0.7
60.04522	1.4
61.02920	1.3
64.60680	0.2
68.05031	0.6
69.03429	2.8
69.82055	1.4
70.06590	1.0
71.04997	0.6
72.04518	0.6
80.05019	1.1
81.03418	3.0
82.06583	0.7
83.01360	0.6
83.04992	0.5
84.04507	23.0
85.02883	0.5
90.05567	0.4
96.04494	15.6
97.02888	3.2
98.06059	7.3
98.06678	0.5
98.73537	0.2
98.97599	0.4
99.04472	1.2
100.03981	0.3
101.02349	0.4
106.77534	0.3
108.04486	0.6
109.02875	3.4
110.06055	0.6
114.05528	0.9
116.07101	0.6
124.03961	0.7
126.05520	36.0
127.03933	2.0
127.46496	0.3
137.05971	0.4
138.05504	100.0
140.07053	0.6
144.06560	19.7
147.04419	0.3
162.07622	1.2
163.03946	0.3
168.06564	25.6
186.05885	0.6
186.06361	0.4
186.07619	22.2
204.08678	51.1
222.09808	1.2
248.60927	0.3
321.35236	0.3
347.10321	0.4
347.14502	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	549.124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43243	0.2
53.62420	0.2
70.80409	0.3
70.80738	0.3
153.01843	0.7
153.70090	0.2
216.43227	0.2
229.04973	0.3
236.65109	0.2
258.05246	12.4
286.04721	33.3
301.07068	100.0
302.07361	0.3
304.32953	0.2
463.12445	2.1
470.94498	0.2
531.11401	0.4
549.12384	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	549.124
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
54.03963	0.2
55.90126	0.1
70.80614	0.4
72.21735	0.1
75.55695	0.2
98.20922	0.2
100.70738	0.2
145.31534	0.2
153.01917	0.5
154.27184	0.2
174.79448	0.2
184.41101	0.2
229.05075	0.2
258.05255	11.0
259.05817	0.2
286.04727	35.2
301.07068	100.0
302.07462	0.5
332.47095	0.2
392.55206	0.2
463.12427	1.9
468.54047	0.2
514.36981	0.2
531.10980	0.2
549.12354	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	548.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
53.75206	1.2
54.48798	1.1
54.88406	1.1
55.01857	4.0
55.05266	1.4
55.05512	14.8
56.96526	1.2
57.03424	5.8
57.07080	1.4
57.63577	1.2
60.08159	1.6
61.02916	4.2
65.03918	2.1
67.05504	34.3
69.03423	2.6
69.07065	14.4
71.04973	2.2
71.08611	3.9
71.17529	2.4
73.02875	1.8
79.05070	1.8
79.05496	26.9
81.03404	4.1
81.07056	33.8
83.04971	2.9
83.08611	9.6
84.10535	1.1
85.02910	5.8
85.06519	2.8
86.09689	3.0
91.03920	3.0
91.05472	21.9
93.06477	1.9
93.07040	30.0
93.84663	1.5
95.04946	5.1
95.08058	2.0
95.08606	22.6
97.02854	4.2
97.06535	11.2
99.08132	3.3
104.10739	8.1
105.06380	2.1
105.07024	23.5
107.04955	2.1
107.08598	19.3
109.06502	4.7
109.10155	14.1
111.08041	3.5
117.07018	6.8
119.08584	18.5
121.10139	14.9
123.08063	3.0
123.11675	3.3
124.99984	1.6
125.09621	3.4
129.06940	3.4
131.08597	6.6
133.10139	15.2
135.07985	2.4
135.11696	13.9
137.05986	2.2
137.09586	2.5
143.08559	4.3
145.10155	6.1
147.11687	16.7
149.09628	2.4
149.13278	8.2
151.11206	3.1
157.10095	4.5
159.11707	8.3
161.13275	12.1
163.11107	2.2
163.14845	1.6
165.12720	2.6
171.11656	4.5
173.11765	2.5
173.13266	4.5
175.14795	3.6
177.12746	3.3
179.14301	11.3
184.07358	8.8
185.13202	2.9
199.14767	3.7
227.12865	2.1
229.14299	8.0
236.67961	1.5
240.09949	1.2
241.19495	7.2
259.20560	17.7
275.15509	1.2
275.20068	1.6
277.21634	30.8
333.24420	1.5
351.25281	100.0
369.26218	5.7
495.29407	1.5
531.26947	1.3
548.26245	1.7
548.34241	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
55.01865	4.6
55.05270	1.5
55.05516	15.2
57.01859	1.4
57.03431	8.7
57.07067	2.1
61.02913	5.4
67.05505	34.0
69.03420	3.7
69.07074	17.5
71.04996	3.3
71.08623	3.2
71.56232	1.6
73.02888	2.5
79.05064	2.2
79.05497	31.8
81.03413	3.5
81.06589	2.1
81.07061	41.1
83.04978	4.1
83.08626	11.2
85.02911	7.9
85.06533	2.3
86.09697	5.8
91.03946	2.1
91.05481	29.7
93.07047	39.0
95.04970	4.8
95.08614	32.8
97.02890	4.5
97.06551	8.9
97.10159	5.2
98.98468	1.7
99.08084	2.8
103.03956	1.5
105.07030	30.8
107.04959	2.8
107.08591	27.7
109.06509	3.8
109.10155	19.2
111.08118	2.9
111.83808	1.3
117.07023	7.3
119.08591	23.1
121.10149	21.9
123.04456	1.3
123.08079	1.8
123.11681	3.3
125.00013	4.4
125.09644	3.8
127.03929	1.7
129.07022	4.0
131.08594	10.4
133.10121	18.8
135.08049	2.4
135.11707	18.3
137.05940	2.2
137.09598	2.1
139.11256	2.1
143.08531	3.8
145.10121	12.6
147.11685	21.6
149.09628	1.7
149.13261	10.7
151.11183	3.0
155.08493	1.6
157.10146	3.6
159.11676	9.6
161.13266	14.2
163.11186	3.2
163.14803	3.2
165.12697	2.1
171.11679	5.1
173.11864	2.4
173.13272	6.9
175.11276	1.8
175.14809	4.2
177.12808	2.1
179.14296	5.2
181.12360	1.3
184.07352	19.6
185.13263	5.9
187.14833	4.9
189.12822	1.4
199.14842	3.6
201.16408	1.8
205.15860	3.3
219.17453	2.3
229.14311	12.3
231.20998	1.9
241.19565	10.8
249.22096	1.5
259.20612	26.1
269.17383	2.2
277.21634	28.9
295.22549	2.0
333.24203	4.1
351.25299	100.0
369.26407	4.3
373.18472	1.8
513.30408	3.1
548.31738	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	548.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10945	1.8
53.03934	4.8
55.05505	5.8
57.03416	3.9
61.02958	2.6
62.91173	1.9
67.05506	16.3
69.07063	9.9
69.74723	4.4
69.75130	8.6
69.75991	2.0
78.20641	1.9
79.05492	29.6
81.07041	20.5
83.08611	3.6
85.02895	4.5
85.06547	2.3
91.05476	30.0
93.07044	38.6
95.04988	3.7
95.08604	17.1
97.06520	3.7
98.20934	5.8
98.21514	2.5
105.07028	32.0
107.08598	20.3
109.10148	4.8
117.07018	8.2
119.08588	27.4
121.10130	19.8
129.07004	8.6
130.85558	2.0
131.08551	10.1
133.10127	27.5
135.11693	11.7
138.15508	2.1
141.66457	2.4
143.08574	5.8
145.10159	10.9
147.11694	22.1
149.13292	9.6
157.10159	4.1
158.79678	2.2
159.11687	12.1
161.13239	17.7
163.11186	2.8
163.14883	3.6
171.11774	10.4
173.13290	8.7
175.14824	9.0
184.07375	3.3
185.13290	8.4
198.97517	2.3
199.14861	5.6
202.53754	1.9
231.21053	4.6
241.19496	17.9
259.20584	59.4
272.84808	2.3
333.24203	3.6
351.25262	100.0
445.02551	2.5
477.28195	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	548.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85508	0.5
54.16946	0.5
55.01870	1.3
55.05511	0.7
56.96562	1.1
57.03437	1.1
60.69586	0.5
65.03940	0.6
67.05506	2.1
69.03418	1.5
69.07066	14.9
70.06586	2.1
70.80383	1.8
71.04959	0.7
71.13125	0.5
72.08142	0.7
73.06538	0.7
79.05493	5.3
81.07066	0.7
83.04988	0.9
84.08149	1.2
85.02894	2.6
86.09696	1.3
87.17799	0.6
91.03973	0.6
91.05484	11.8
93.07048	1.0
95.04991	1.0
97.02879	1.2
97.06529	66.0
98.97594	3.0
103.22433	0.6
105.07033	1.8
107.08595	5.4
109.06524	1.1
109.10175	0.9
110.97572	0.8
115.07616	0.8
119.04935	7.5
119.08574	2.2
121.06493	1.0
121.10143	2.4
123.08096	0.8
127.03932	1.1
129.04634	0.7
129.10231	0.9
131.08536	1.0
133.06467	0.8
133.10118	2.2
135.08022	1.5
135.11697	0.9
137.05977	76.5
147.04431	3.8
147.11726	3.1
149.06024	1.1
149.13257	2.4
158.99680	1.0
163.14821	0.9
173.06038	0.8
173.13203	2.2
175.06339	0.7
177.00684	0.8
177.05453	0.6
189.09116	8.5
189.12726	0.9
191.14337	2.5
193.07353	0.6
207.13890	0.7
214.08656	0.6
215.10652	1.4
219.01784	2.3
223.07437	0.6
223.09413	3.6
223.11372	0.6
224.09724	2.4
233.11719	65.5
237.02840	2.5
250.14380	100.0
251.12776	29.7
268.15430	7.8
270.88538	0.5
280.40662	0.6
299.05347	0.7
319.10611	3.7
337.11658	4.9
338.11844	0.6
353.15182	0.8
354.15735	0.7
379.12958	4.7
385.14548	2.0
386.15067	5.0
427.16101	1.1
548.20233	8.0
548.27655	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
53.60134	1.0
55.01865	1.3
55.05509	9.6
57.03429	3.2
57.07069	1.5
57.45599	0.8
58.79908	0.8
60.08172	0.9
61.02910	5.5
64.16828	0.9
67.05503	23.5
69.03424	1.7
69.07071	8.7
71.04990	1.6
73.02905	1.9
77.03956	1.0
79.05493	34.9
81.03427	2.1
81.07052	22.7
83.04992	1.1
83.08607	4.8
85.02926	5.9
85.06549	2.0
86.09706	2.4
91.03944	3.0
91.05479	33.3
93.07045	38.9
95.04967	3.0
95.08604	18.7
97.02898	2.3
97.06527	3.6
97.10180	1.5
98.97589	1.4
99.08110	2.0
104.10736	1.0
105.07033	41.2
107.08596	22.0
109.06484	1.8
109.10155	8.3
111.08109	1.1
113.09632	1.7
117.07011	9.9
119.08578	30.3
119.17146	0.9
121.06517	1.2
121.10139	18.3
123.08053	1.9
123.11724	2.4
125.09614	1.3
129.07008	6.8
131.08569	14.5
133.10133	29.0
135.08067	1.6
135.11687	16.6
142.07690	0.9
143.08565	7.7
145.10126	13.1
147.10506	1.4
147.11685	27.2
147.12804	2.1
149.09633	1.9
149.13263	11.6
155.08556	1.0
157.10117	7.0
159.11708	12.3
161.13251	19.5
163.11200	1.4
163.14793	3.1
171.11659	9.0
173.13257	7.8
175.14819	9.1
177.12653	1.7
179.14265	1.2
183.11696	1.1
184.07358	4.4
185.13249	8.0
187.14844	1.1
189.12769	1.1
189.16370	1.7
193.58832	1.1
199.14790	3.5
203.14296	0.9
213.16338	2.3
217.19493	1.4
231.21043	6.6
241.19531	19.9
259.20581	66.1
277.21524	2.2
333.19775	0.9
333.24194	3.2
349.23755	1.7
351.25287	100.0
363.25339	2.1
367.22311	1.1
375.25162	1.0
385.23434	1.1
421.25793	1.0
441.26263	2.8
459.27383	2.7
477.28467	2.5
495.29660	2.5
548.32599	1.3
579.05408	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.1
56.05030	1.7
58.06585	1.6
60.08165	17.7
63.71903	0.2
67.05499	1.0
69.03436	0.3
69.07067	1.9
69.82316	0.9
69.82711	0.5
70.06599	0.4
71.07376	6.1
79.05500	1.0
81.03428	0.3
81.07056	0.9
83.04977	0.3
86.09706	49.0
87.28180	0.3
91.05460	0.6
93.07026	0.6
95.04956	0.3
95.08594	0.5
97.10187	0.7
98.98476	3.8
102.25169	0.3
104.10745	100.0
107.08588	0.3
109.10139	0.5
119.08535	0.4
122.83628	0.2
125.00006	27.8
125.09660	0.3
131.08577	0.3
147.11656	0.3
147.38875	0.3
162.26552	0.3
163.01564	0.6
184.07341	83.4
222.35797	0.3
223.13373	0.4
258.11063	1.0
291.19669	0.6
365.23318	0.5
408.13495	0.3
471.21606	0.5
512.27808	0.4
530.28815	7.5
548.29834	38.6
549.30670	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	548.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
53.63989	0.3
55.01876	0.6
55.05501	1.1
56.05029	1.4
57.03445	0.5
57.07070	0.3
58.06601	1.5
60.08164	16.6
60.90411	0.4
61.02927	0.9
67.05501	2.1
69.07061	1.9
70.06596	0.6
70.14509	1.6
71.07376	6.1
79.05496	2.1
81.03423	0.8
81.07067	2.4
83.08616	0.5
84.08114	0.4
85.02900	1.2
86.09706	50.1
91.03947	0.7
91.05489	2.3
93.07038	1.4
95.04967	0.6
95.08619	1.2
97.02876	0.8
97.06526	1.0
98.21431	0.5
98.97595	0.3
98.97823	0.5
98.98466	4.3
104.10744	100.0
105.07035	1.2
105.11063	0.3
107.04964	0.6
107.08604	0.7
109.10154	1.1
117.06998	0.5
119.08585	1.3
121.10094	0.5
125.00004	26.1
129.07031	0.4
131.08568	0.4
133.06503	0.5
133.10112	1.1
135.11671	0.3
145.10127	0.7
147.54890	0.3
149.84296	0.4
151.11165	0.3
157.10133	0.4
163.01530	0.5
164.07051	0.4
164.10677	0.4
183.78011	0.4
184.07339	89.1
258.11066	0.9
284.12473	0.4
290.17535	1.0
305.10971	0.4
530.28705	6.8
548.29791	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
55.05500	0.5
55.89090	0.2
56.05021	0.6
58.06619	0.4
60.08161	6.5
67.05509	0.5
69.03402	0.2
69.07061	0.5
71.07366	2.8
71.07971	0.3
71.08280	0.2
79.05479	0.4
81.07045	0.6
83.08592	0.2
86.09702	30.8
91.05476	0.4
93.07027	0.3
95.08623	0.2
98.98458	2.8
104.10744	4.5
105.07008	0.2
105.52077	0.1
107.08592	0.3
112.81750	0.2
119.08584	0.3
125.00002	20.6
125.09581	0.2
138.03844	0.2
147.11623	0.2
149.09625	0.2
184.07332	100.0
185.07773	0.3
276.20425	0.3
295.64084	0.2
349.23663	0.3
350.24081	0.5
353.44272	0.2
530.28662	1.2
548.29852	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
55.05521	0.6
55.05757	0.2
56.05027	1.0
57.03430	1.3
58.06336	0.3
58.06601	1.3
60.08165	17.2
61.02925	0.4
67.05514	2.0
69.03439	0.4
69.07052	0.3
70.06606	0.5
70.15497	1.1
71.04993	0.4
71.07375	6.3
72.08170	0.5
73.02925	0.4
79.05485	1.2
81.03421	0.6
81.07081	1.3
85.02896	1.1
85.06538	1.1
86.09708	53.1
91.05484	1.2
91.83493	0.3
93.07034	1.0
95.04975	2.2
95.08602	0.7
97.06549	1.4
98.98471	3.4
104.10747	100.0
105.07044	0.7
107.04955	0.5
107.08600	0.7
109.06528	0.9
109.10168	0.7
113.06007	2.1
119.08582	0.8
121.10101	0.3
125.00010	27.6
129.07018	0.3
131.08589	0.6
133.06410	0.3
133.10162	0.4
135.08086	0.3
143.08583	0.4
145.10083	0.3
155.11824	0.6
159.11751	0.4
166.02699	0.3
184.07346	85.2
250.09457	0.3
258.11017	0.9
273.18390	0.3
286.04672	0.3
288.05820	0.4
301.07080	0.7
333.11124	0.3
347.22101	0.4
350.24127	0.4
365.23483	0.3
384.11688	0.8
385.11877	0.9
386.12097	2.0
395.98041	0.3
434.19443	0.5
512.28345	0.5
530.28766	9.7
548.29810	42.7
549.30389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.3
56.05026	0.6
56.96560	0.2
57.03443	0.2
58.06361	0.2
58.06627	0.4
59.07399	0.2
60.08164	6.6
61.02920	0.3
67.05508	0.7
69.03421	0.4
69.07069	0.4
70.06589	0.3
70.46704	0.2
70.47039	0.3
71.07375	3.2
72.08155	0.1
73.02897	0.3
79.05492	0.4
81.03394	0.3
81.07056	0.7
82.07433	0.1
83.08598	0.2
85.02906	0.6
85.06522	0.2
86.09706	31.6
91.03959	0.2
91.05466	0.5
93.07036	0.4
95.04956	0.6
95.08598	0.3
96.08970	0.1
97.02895	0.5
97.06527	0.8
98.97594	0.1
98.97732	0.1
98.98468	3.0
104.10746	4.5
105.07043	0.5
107.08595	0.3
109.06513	0.4
109.10190	0.3
113.06016	0.3
119.08596	0.3
121.10122	0.2
123.00839	0.1
125.00006	21.6
127.03931	0.2
131.08548	0.2
133.10062	0.2
135.04436	0.1
135.08017	0.1
145.10117	0.2
147.11705	0.2
155.11839	0.3
155.61662	0.1
164.06851	0.1
165.36325	0.1
177.83347	0.1
184.07339	100.0
187.14738	0.2
202.04070	0.1
217.96858	0.1
258.11160	0.3
259.09756	0.2
265.18185	0.2
284.12766	0.2
301.07162	0.2
331.03818	0.1
333.11288	0.2
350.24393	0.2
383.11258	0.2
384.11969	0.3
385.11923	0.5
386.12241	0.5
434.19806	0.1
530.17072	0.3
530.28754	1.8
548.29626	8.7
549.30927	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	548.298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
56.05027	0.5
58.06596	0.3
58.23110	0.2
58.23406	0.2
60.08163	6.5
67.05500	0.8
69.03429	0.4
69.07062	0.6
71.01925	0.2
71.07372	2.8
71.56932	0.3
72.78802	0.2
79.05486	0.8
81.03427	0.4
81.07066	0.9
83.04983	0.2
83.08615	0.4
85.02892	0.4
86.09705	30.7
90.08942	0.2
91.05482	0.7
92.01433	0.2
93.07043	0.5
94.07379	0.2
95.04955	0.4
95.08612	0.4
97.02918	0.2
97.06538	0.4
97.10175	0.3
98.97565	0.2
98.97817	0.2
98.98456	2.5
104.10744	4.1
105.07033	0.5
107.04993	0.2
107.08604	0.6
109.10168	0.3
109.60179	0.2
117.06967	0.3
119.08566	0.2
125.00004	20.6
133.10127	0.2
135.11641	0.2
145.10164	0.2
178.69791	0.2
184.07335	100.0
258.11050	0.2
276.20477	0.4
287.05139	0.3
340.51340	0.2
350.24081	0.5
368.25308	0.5
384.11404	0.3
385.11841	0.2
386.12292	0.4
487.17892	0.2
530.28717	1.6
548.29834	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	547.3493
Annotation	3-O-alpha-Mycarosylerythronolide B
Peak:m/z	Relative Intensity
50.85386	0.1
52.35576	0.1
53.55953	0.1
54.33356	0.1
58.06600	3.9
69.07069	2.8
69.65921	0.4
70.06591	1.6
71.07368	0.2
72.08147	0.7
84.08140	1.7
85.08924	4.9
86.09704	1.0
97.02897	0.1
97.06541	0.1
99.10470	0.2
108.93671	0.1
113.90740	0.1
114.12806	100.0
114.63296	0.1
115.13143	0.2
132.03526	0.1
168.59676	0.1
256.57645	0.1
274.77509	0.1
304.43170	0.1
438.56403	0.1
446.04703	0.1
502.29105	0.5
528.61371	0.1
547.34906	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	547.349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78173	0.1
52.90238	0.1
54.30480	0.1
56.05022	0.4
57.05811	0.8
58.06601	5.0
69.07056	0.6
69.71494	0.1
69.71907	0.5
70.06575	0.6
71.07353	0.6
72.08156	8.5
73.46111	0.1
75.69501	0.1
84.08143	0.4
85.08920	1.2
85.14379	0.1
86.09713	0.4
90.68596	0.1
98.21503	0.2
114.12807	100.0
115.13173	0.2
126.55574	0.1
184.55554	0.1
338.68726	0.1
502.29105	0.8
519.35297	0.1
547.34918	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	548.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30313	0.2
54.26256	0.2
54.93432	0.2
55.05506	0.5
56.05017	0.6
57.03420	0.2
58.06366	0.2
58.06623	0.4
60.08163	6.4
67.05504	0.8
69.03427	0.2
69.07062	0.6
70.80779	0.3
71.07375	2.9
74.52089	0.2
79.05493	0.8
81.03428	0.4
81.07051	0.8
83.08614	0.4
85.02912	0.2
86.09705	30.7
91.05492	0.5
92.05824	0.2
93.07041	0.5
93.91780	0.2
94.07346	0.2
95.08614	0.3
97.02873	0.4
97.06519	0.2
97.10212	0.2
98.06799	0.2
98.97551	0.3
98.97809	0.2
98.98466	2.7
104.10738	4.3
105.07031	0.3
107.08582	0.5
109.10131	0.3
119.08569	0.2
121.10162	0.2
125.00003	21.3
130.20508	0.2
131.00070	0.2
131.08585	0.2
133.10141	0.3
135.08121	0.2
138.10100	0.2
145.10143	0.2
154.94075	0.2
161.57668	0.2
184.07338	100.0
185.07761	0.2
190.48392	0.2
258.11008	0.4
258.19360	0.3
276.20425	0.4
291.56589	0.2
350.24127	0.4
368.25128	0.5
384.39044	0.2
386.12503	0.2
403.70889	0.2
487.17740	0.4
530.28656	1.4
548.29858	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	547.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
55.01860	7.7
55.05302	2.5
55.05514	26.2
56.96561	2.6
57.03424	8.4
61.02906	10.8
67.05505	39.2
69.03426	8.1
69.07072	26.7
70.16882	5.1
70.17274	5.6
73.02917	4.9
79.05495	41.9
81.03409	9.0
81.07056	35.3
83.04980	5.1
83.08640	12.9
85.02921	15.6
91.03965	6.2
91.05474	28.2
93.07038	28.9
95.04961	7.2
95.08588	20.1
97.02921	11.6
97.06535	16.6
97.07049	3.2
97.10157	19.9
105.07039	28.7
107.04942	7.7
107.08599	57.7
109.02859	3.4
109.06529	6.1
109.10147	17.6
117.07007	10.8
119.08589	21.4
121.06470	4.7
121.10136	11.1
123.08067	2.6
123.11684	3.6
125.09615	16.4
127.03873	3.2
129.07022	5.2
131.00232	3.3
131.08612	13.9
131.09389	2.7
133.10138	19.1
135.08090	3.3
135.11668	6.4
143.08594	3.3
145.10118	20.5
147.07985	3.0
147.11700	13.6
149.01251	3.0
149.09612	9.5
153.01831	18.3
157.10097	5.6
159.11642	10.7
159.41698	2.6
163.11145	5.8
171.02956	4.1
171.10207	5.2
171.11526	3.3
173.11847	3.7
173.13237	3.1
177.12724	3.1
179.03339	3.1
187.11125	2.6
189.11223	11.3
195.02859	2.8
197.13324	3.4
227.12817	19.8
229.14383	4.5
239.17952	5.8
245.13811	6.6
257.04489	2.9
257.19095	22.1
258.04831	4.5
259.05139	4.1
269.17520	3.8
275.20059	52.4
287.05396	13.3
288.05762	13.7
289.06027	11.5
292.30392	2.5
293.13446	3.7
293.20938	5.4
293.63412	4.4
301.14130	5.0
305.10535	3.1
309.20398	2.9
331.22562	3.8
349.17072	3.9
349.23746	100.0
350.11465	2.5
350.24109	4.4
367.24780	23.2
383.11340	16.7
384.11508	21.3
385.11896	62.6
529.16467	8.4
529.27393	3.6
547.29156	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	547.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.1
55.01871	9.8
55.05514	21.9
56.96567	6.0
57.03430	11.5
60.08167	5.6
61.02919	10.8
63.76279	2.9
65.03947	3.9
67.05241	3.3
67.05511	41.1
69.03423	8.2
69.07077	31.1
70.73370	6.2
70.73726	7.1
71.04990	6.6
74.40714	3.5
79.05502	45.7
79.34756	3.6
81.03419	7.0
81.07063	52.6
83.04977	7.0
83.08603	10.2
85.02909	11.4
86.09718	32.4
91.03954	9.4
91.05486	37.6
93.07037	35.3
95.04967	10.3
95.08616	26.7
97.02901	7.6
97.06544	18.2
97.10170	9.9
101.85723	3.8
104.10731	5.6
105.07045	38.7
107.04958	7.0
107.08605	50.9
109.06542	7.0
109.10178	17.8
111.08087	6.6
111.27390	4.0
112.99158	3.5
113.03625	3.1
117.07021	10.6
118.00098	4.0
119.08584	29.1
121.06505	5.6
121.10139	10.6
123.08053	6.8
123.11700	4.8
124.99992	16.6
125.09626	13.1
129.07022	5.7
131.08578	14.6
133.10150	22.7
135.08080	8.4
135.11676	12.4
137.05907	4.2
140.07072	7.7
143.08551	8.6
145.10112	28.3
147.11697	12.7
149.09621	15.2
149.13246	5.3
151.38504	3.4
157.10229	5.5
159.11697	18.9
163.11168	7.2
173.11861	5.4
173.13266	10.7
177.12744	9.2
184.07358	79.1
189.11235	7.6
195.13885	4.4
197.13266	3.6
227.12828	11.6
229.14400	12.9
239.18034	6.7
239.51083	3.3
245.13663	4.3
255.15807	6.5
257.19135	12.1
269.17450	20.6
275.20087	66.7
284.63046	4.2
293.13324	7.1
293.20990	6.0
293.63565	6.9
349.23734	100.0
350.24054	4.7
356.46808	3.6
367.24786	40.4
547.32709	5.2
548.29474	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	547.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09164	0.4
59.16529	0.6
67.05440	0.6
71.35661	0.6
71.36009	1.1
73.47603	0.5
79.01765	0.6
81.07024	0.8
85.02850	1.5
91.05428	0.6
97.02857	0.7
113.45892	0.5
118.13855	0.4
123.08098	0.6
133.92682	0.8
136.54626	0.5
147.11612	0.7
185.04233	0.6
197.11707	0.6
223.09447	6.8
251.53792	0.6
257.27582	0.6
265.10428	1.9
350.12195	0.8
367.13696	1.7
385.14685	100.0
427.16391	1.0
547.19977	99.3
548.20801	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82346	3.6
53.03931	6.3
54.58384	2.9
55.01859	6.5
55.05513	24.4
57.03434	7.1
60.08158	7.8
61.02941	16.6
67.05509	39.0
69.03425	14.1
69.07073	19.4
69.26800	10.2
69.27213	22.4
73.02912	4.2
79.05496	44.8
81.03411	9.8
81.07063	40.4
83.04958	5.9
83.08613	15.0
85.02921	16.9
86.09706	17.7
91.03957	16.7
91.05477	33.9
93.02708	3.2
93.07044	33.8
95.04957	7.3
95.08611	22.3
97.02876	13.0
97.06519	6.8
97.10167	22.4
104.10752	30.2
105.07042	32.8
107.04967	6.7
107.08601	50.5
108.04443	4.0
109.06534	4.4
109.10171	15.3
117.07008	11.8
119.08591	20.3
121.10156	11.2
124.99990	11.3
125.09641	13.5
129.07018	4.4
131.08580	11.5
133.10162	18.3
135.11742	6.6
138.05522	5.4
140.07072	20.6
141.07054	2.9
143.08549	3.7
145.10144	27.1
147.11662	11.3
149.09579	8.2
149.13278	5.2
154.42912	3.1
159.04362	3.4
159.11684	8.0
171.10202	3.3
171.11617	5.4
171.91168	2.9
184.05940	4.3
184.07343	29.0
187.78061	3.4
189.11237	12.6
201.71524	3.2
227.12779	14.1
229.14456	5.6
245.13847	10.2
255.15987	3.7
257.19009	21.1
269.17407	15.4
275.20078	51.2
285.09726	3.7
331.22516	4.2
349.23746	100.0
367.24911	22.5
385.12970	3.6
511.28882	4.4
548.29816	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	546.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01853	1.5
55.05514	4.6
56.96562	0.9
57.03439	4.1
57.07057	1.4
61.02922	0.9
62.06104	0.7
67.05508	7.7
69.03403	0.6
69.06726	0.6
69.07069	7.4
71.04990	1.2
71.08637	4.0
71.56946	0.4
73.02902	0.5
79.05488	5.6
81.03407	1.4
81.07056	11.9
83.04971	1.3
83.08628	3.2
85.02903	0.9
85.06534	1.2
91.03981	0.5
91.05476	4.8
93.07047	6.7
95.04965	1.1
95.08611	8.2
96.08965	0.4
97.02895	0.8
97.06521	3.0
97.10166	1.3
98.06078	0.8
98.97580	0.6
98.98471	2.8
99.08121	2.3
102.89848	0.5
105.06377	0.8
105.07026	7.6
107.08598	8.1
109.06522	7.0
109.10143	3.9
111.08033	1.4
117.07003	0.6
119.08575	8.1
121.06511	0.6
121.10149	5.2
123.08069	14.0
123.11677	1.2
125.09616	1.5
129.06949	0.6
131.08542	2.9
133.10130	7.5
135.08055	7.3
135.11688	2.8
137.09644	2.0
143.08516	0.7
145.10121	3.5
147.08032	0.9
147.11685	5.4
149.09587	2.1
149.13228	2.5
151.11118	0.8
151.14671	0.5
157.10135	1.3
159.11661	2.8
161.09605	1.5
161.13251	1.8
163.11159	1.3
165.12766	1.3
167.14348	1.0
171.11760	0.5
173.13257	1.2
175.11154	0.5
175.14801	6.3
177.12761	3.0
177.16425	0.8
179.14311	21.8
183.11749	0.6
184.07370	1.7
185.13397	0.6
187.14799	0.5
189.16521	0.5
191.14255	1.3
193.15868	1.5
201.16260	0.6
205.15878	3.0
208.16833	0.5
216.06331	1.3
229.07384	0.6
254.13031	0.6
261.22119	0.5
263.20065	1.3
269.10513	1.4
270.12622	0.5
271.20712	0.6
275.20145	1.3
281.21085	0.7
289.21622	5.8
289.24881	0.5
293.21173	2.3
303.26804	1.4
319.22668	1.5
331.26294	11.4
334.19199	0.6
337.23782	1.4
347.25793	1.2
349.16763	0.7
349.23566	0.9
349.27390	5.2
351.20453	0.6
352.20331	0.9
357.27875	0.9
361.27417	0.7
367.18045	0.9
369.27744	0.7
374.30496	1.8
375.29007	2.1
382.18726	0.6
384.11456	0.7
387.28885	6.3
390.70074	0.7
391.19995	0.6
405.29999	100.0
406.30359	1.0
423.31281	0.5
448.26132	1.3
485.26730	1.8
503.27686	5.9
528.31091	0.8
546.31049	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	545.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
53.70832	4.2
55.01871	9.3
55.05502	24.4
57.03434	19.0
61.02942	8.1
67.05504	48.5
69.03415	14.5
69.07066	23.8
71.04988	7.8
71.57061	5.9
73.02914	8.3
79.05495	34.9
81.03419	49.9
81.07060	49.2
83.04968	15.1
83.08618	26.7
85.02893	29.2
85.06562	5.2
91.03953	8.5
91.05483	29.2
93.07024	31.8
95.04961	24.3
95.08602	30.5
97.02901	15.6
97.06515	9.2
97.10151	19.1
105.07029	31.5
107.04954	15.7
107.08597	25.5
109.06500	11.5
109.10158	20.4
111.04428	7.2
111.08060	6.3
117.07021	12.3
119.08573	25.2
121.06470	8.9
121.10149	15.1
123.08066	12.7
125.09629	14.9
127.03947	8.5
127.77246	3.5
129.06976	6.1
131.08578	16.1
133.06465	10.7
133.10123	21.1
135.08057	9.7
135.11708	6.1
137.05998	4.7
137.09628	11.1
140.36671	4.4
143.08549	5.0
145.10132	8.1
147.08009	5.7
147.11697	11.7
149.09677	9.7
151.11186	10.7
157.10149	12.8
159.11687	7.3
161.09634	6.4
161.13293	4.3
163.11215	5.4
175.11247	9.7
184.38380	4.4
187.95746	4.6
189.11197	11.2
193.12207	29.7
211.13283	16.4
223.13275	6.7
227.12791	6.5
229.14302	3.9
245.19087	7.2
253.14406	9.1
255.17436	8.4
257.04617	5.9
267.15961	16.7
271.15271	4.5
273.18494	37.0
285.16907	58.8
287.05679	8.7
291.19528	63.2
347.22104	12.3
365.23257	100.0
383.11243	47.6
383.24478	6.1
527.28583	15.7
545.32306	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	545.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.2
55.01863	12.2
55.05516	37.8
57.03434	15.0
61.02931	24.5
67.05505	46.1
69.03432	21.6
69.07068	29.9
70.28255	14.0
71.04998	10.2
73.02921	8.0
78.88705	3.6
79.05485	43.0
81.03420	65.8
81.07054	51.4
83.04980	11.1
83.08627	35.4
85.02910	35.3
85.06545	4.3
91.03963	8.2
91.05486	27.2
93.07036	29.8
95.04974	32.4
95.08624	19.0
97.02904	21.6
97.06546	4.4
97.10175	25.4
99.04458	8.5
101.02373	4.1
105.07007	25.4
107.04955	14.5
107.08598	26.1
109.02905	6.5
109.06499	9.3
109.10143	10.5
111.04432	7.8
111.08089	14.9
115.05448	4.3
116.78602	3.1
117.07023	10.4
118.64274	3.2
119.08607	22.4
121.06497	7.1
121.10152	11.9
123.08086	16.1
125.09628	23.9
127.03910	12.0
129.07004	8.7
131.00198	3.8
131.08594	21.1
133.06512	7.1
133.10123	12.5
135.11690	7.1
137.09645	6.4
145.10197	4.4
147.08072	12.9
147.11687	11.6
149.09663	4.9
153.09033	4.5
155.08542	4.3
157.10120	11.9
163.11195	6.7
165.09113	6.4
165.12770	3.2
171.10187	5.9
171.11647	3.7
173.09621	4.0
175.11212	12.5
177.12823	4.4
189.11253	16.7
193.12241	45.2
211.13261	43.0
223.13319	14.3
227.12807	12.2
235.13361	4.9
245.13739	6.0
249.14815	4.3
263.20023	5.0
267.16058	16.8
273.18488	32.8
285.16971	66.4
291.19565	100.0
292.12521	5.9
332.12936	5.0
347.22202	10.1
365.23245	97.8
381.16492	5.0
383.11298	14.0
383.24350	19.9
429.21225	13.3
527.28235	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
55.01862	8.5
55.05506	31.9
56.96547	4.5
57.03431	20.9
61.02918	7.7
61.33941	2.2
67.05505	42.6
69.03423	19.3
69.07072	22.5
69.44975	18.3
71.04993	6.9
73.02907	8.1
79.05492	38.1
81.03416	73.4
81.07059	47.2
83.04973	17.4
83.08615	36.7
85.02901	31.0
85.06525	3.3
86.09693	3.3
91.03954	6.4
91.05479	34.6
93.06489	3.1
93.07048	39.5
95.04961	26.9
95.08614	23.1
97.02888	18.0
97.06512	10.6
97.10164	23.9
98.20913	6.8
99.04436	4.3
99.08063	2.9
103.03910	2.9
105.07032	25.4
107.04939	8.8
107.08578	24.9
109.02862	4.9
109.06519	7.7
109.10162	17.4
111.04431	5.2
111.08093	12.3
113.06004	2.9
115.05467	2.5
117.07039	10.5
119.08585	28.1
119.68982	2.2
121.06506	7.1
121.10133	20.2
123.04394	2.7
123.08046	15.3
123.11687	4.7
125.09632	21.7
127.03897	7.6
129.06992	12.8
131.08572	16.4
133.06502	5.9
133.10136	17.9
135.08047	9.4
135.11671	5.0
137.06006	3.6
137.09596	4.1
143.08536	6.8
144.99292	2.4
145.06508	4.0
145.10153	11.0
147.08044	10.3
147.11696	19.1
149.01230	3.3
149.05946	2.1
149.09618	12.6
151.11165	4.6
153.01949	2.4
153.09064	2.9
157.10127	9.8
158.70416	2.2
159.08060	4.2
159.11647	5.9
161.09639	5.7
163.11145	7.4
165.09120	7.8
165.12746	2.2
170.99652	2.3
173.11758	3.4
175.11168	13.3
177.09102	3.6
187.13174	2.3
189.11328	10.8
189.12709	3.2
193.12242	68.0
198.70067	2.1
199.11475	2.6
210.45474	2.3
211.13243	28.8
213.12787	2.3
223.13235	6.2
224.07974	5.3
227.12796	14.6
229.14359	9.2
234.29971	2.4
235.13206	2.6
237.16193	2.7
245.13817	5.0
245.19084	3.7
253.14330	5.2
255.17519	4.1
257.04514	7.1
267.15933	31.6
273.18506	34.1
285.16953	100.0
287.05579	5.3
291.19580	51.4
292.12466	4.9
297.17566	2.6
305.10648	5.2
309.17035	4.4
347.22092	9.5
351.25128	4.5
365.23227	74.8
377.72324	2.9
383.11273	46.7
383.24271	10.6
407.24063	3.0
429.21054	3.0
491.25961	3.5
527.28345	7.7
545.32312	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	545.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01877	2.3
55.05511	8.7
56.96562	2.5
57.03447	5.0
61.02925	6.7
65.03944	1.2
67.05175	1.2
67.05508	13.0
69.03427	6.3
69.07066	8.9
71.01376	1.4
71.04994	2.8
71.17296	1.9
73.02910	2.1
79.05502	11.2
81.03423	17.5
81.07053	12.4
83.04971	4.2
83.08607	7.0
85.02911	11.0
85.06577	1.0
91.03955	3.2
91.05485	10.0
93.07045	12.0
95.04963	9.2
95.08605	7.5
97.02893	6.3
97.06545	5.4
97.10159	6.7
98.97594	2.1
99.04455	1.0
99.08039	1.3
100.11211	1.0
105.07032	9.2
107.04955	4.1
107.08590	6.9
109.02862	1.9
109.06506	2.8
109.10152	5.8
111.04419	1.3
111.08073	2.2
115.07578	1.3
117.07027	4.0
119.08591	10.1
121.06484	2.3
121.10126	5.9
123.08074	5.5
123.11697	2.3
125.09595	5.3
127.03919	4.2
128.98615	1.0
129.07001	4.6
131.08594	5.0
133.06493	2.3
133.10120	3.5
135.08080	2.4
135.11707	1.2
137.05983	1.8
137.09633	2.1
140.06961	1.2
143.08615	3.2
145.04974	1.6
145.10130	3.0
147.08070	3.8
147.11682	3.7
149.09683	3.0
153.01846	1.8
157.10085	4.2
159.11737	2.0
161.09685	1.9
163.11133	1.9
165.09129	2.2
171.11693	1.9
173.11813	1.6
173.13228	1.1
175.11191	4.1
182.15254	1.3
184.07332	1.1
187.11163	1.1
189.11250	3.3
189.12781	1.1
193.12241	11.9
205.12286	1.0
211.13255	5.2
212.10585	1.1
217.15981	1.4
223.13272	1.8
227.12794	2.4
227.17863	1.5
229.05112	1.1
229.14395	1.1
245.13818	1.7
249.15027	1.5
251.09312	1.3
255.17455	2.0
257.04443	34.7
258.05222	11.1
260.86975	1.1
267.15961	4.7
269.10663	4.4
273.18488	11.6
285.03848	1.1
285.16949	18.0
286.04742	27.4
287.05515	14.7
287.11371	1.6
291.19595	12.2
293.13235	4.1
306.82660	1.0
347.22174	3.4
365.16171	1.3
365.23227	23.6
373.15140	1.2
373.65335	1.3
383.11237	100.0
383.24225	3.4
384.11658	1.7
399.34705	1.0
407.24457	1.0
429.12106	3.1
447.13300	1.4
465.23288	1.0
509.27328	1.2
527.28522	3.2
545.16364	1.6
545.32813	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	545.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	7.1
55.05513	16.9
57.03445	15.8
61.02919	12.3
67.05504	28.1
69.03441	12.1
69.07064	23.1
69.94404	2.1
70.26808	9.8
71.04990	4.7
73.02925	8.0
79.05151	2.0
79.05507	24.0
81.02984	3.1
81.03422	26.8
81.07054	40.6
83.04983	12.2
83.08628	13.3
85.02898	19.9
85.06538	3.6
88.89410	2.4
91.03957	7.7
91.05488	24.4
93.07047	29.8
95.04969	14.9
95.08614	18.8
97.02899	12.9
97.06538	6.7
97.10163	11.4
99.04472	3.7
105.07045	23.9
107.04987	12.4
107.08594	20.5
109.02871	3.6
109.06480	7.1
109.10155	15.5
111.04425	4.5
111.08078	6.9
115.33717	2.8
117.07024	11.1
119.08595	14.2
120.68591	2.8
121.06489	5.8
121.10154	11.1
123.08099	6.5
125.09617	8.1
127.03954	5.5
129.05481	6.3
129.07019	6.8
131.08551	11.0
133.06502	8.3
133.10146	19.6
135.08040	8.0
135.11713	7.0
137.09595	5.4
141.07069	2.6
143.06952	3.4
143.08556	6.6
145.10121	11.3
147.08047	7.3
147.11711	6.2
149.09653	9.8
151.11197	6.5
157.08600	4.5
157.10056	3.8
159.08029	4.0
159.11732	4.1
161.09589	7.6
163.11198	3.1
169.12166	3.7
171.10185	3.8
171.11639	4.5
175.11174	6.3
177.09138	5.0
189.11221	6.4
189.12740	3.3
193.12256	12.5
205.72981	2.4
211.13310	10.0
223.13248	6.4
227.12796	5.5
244.09610	6.1
244.60042	2.8
245.18887	6.0
253.14386	8.0
257.04559	4.4
263.20197	2.9
267.15817	6.0
269.13837	3.7
271.15244	2.6
273.18546	27.2
285.16974	21.9
287.05600	3.7
291.19534	38.8
291.29633	2.9
309.20578	2.7
331.89679	2.7
332.13977	2.9
347.22061	10.4
349.23816	4.1
360.16690	2.6
365.23254	100.0
373.65253	4.6
383.11255	29.5
383.23959	4.5
407.23969	3.7
421.17993	2.8
429.20959	4.8
509.27518	2.6
527.28387	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	545.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.4
55.01856	1.3
55.05496	1.1
57.03437	7.1
57.07055	0.3
61.02904	1.2
61.73736	0.4
65.03947	0.7
67.05508	8.0
69.03407	1.4
69.07065	1.9
70.67066	1.1
71.04976	0.9
72.50172	0.3
73.02902	0.5
79.05492	4.6
81.03406	0.8
81.07058	4.6
83.04979	0.7
83.08619	0.8
85.02898	1.2
85.06547	5.8
91.03923	0.6
91.05487	3.6
93.07048	4.1
95.04361	0.6
95.04967	11.2
95.08600	2.2
97.02893	1.0
97.06522	1.3
97.10162	0.5
99.04481	0.3
105.07043	3.2
107.04954	1.7
107.08605	3.2
109.06518	10.4
109.10155	1.1
111.08073	0.5
113.06010	16.3
115.05482	0.4
117.07014	1.6
119.08583	2.0
121.06483	0.8
121.10115	1.3
123.08066	0.9
123.11609	0.4
127.03886	0.4
128.06171	0.4
129.06973	1.2
131.08575	2.5
133.06490	0.5
133.10141	1.5
135.08064	7.9
135.11688	1.5
137.05914	0.4
143.08591	1.7
145.10112	1.9
147.08017	0.7
147.11676	0.5
149.09612	1.6
153.01843	1.4
155.08562	0.4
157.10150	1.3
159.08064	0.6
159.11688	1.2
161.09619	1.9
161.13246	0.6
162.95042	0.4
163.11102	0.5
171.11771	0.5
173.13297	0.5
175.11229	0.5
177.12718	1.0
183.11589	0.6
189.12703	0.4
199.14819	0.8
201.12727	0.4
203.03435	0.6
217.15909	2.4
229.04994	0.9
233.15504	0.5
237.16351	0.4
245.18971	0.5
250.09685	0.4
255.17525	1.0
257.04453	18.4
258.05234	3.5
273.18488	6.4
286.04727	8.2
287.02304	0.6
287.05493	16.3
291.19540	20.2
307.19009	1.1
313.07214	0.7
347.22061	1.9
365.23233	31.2
382.56699	0.4
383.11249	100.0
384.11633	1.6
425.12433	1.1
449.12280	0.5
457.79474	0.3
459.65936	0.4
527.15070	0.4
527.29053	0.7
545.16400	1.0
545.32452	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01863	2.1
55.05504	1.1
55.13559	0.5
57.03194	0.6
57.03443	9.3
59.17470	0.5
61.02877	0.6
67.05505	11.5
69.07066	1.4
70.20594	2.0
71.04985	1.0
79.05494	5.6
81.03428	1.0
81.07066	4.7
83.04966	0.8
83.08630	0.9
85.02894	1.4
85.06543	8.3
90.48678	0.5
91.03967	0.6
91.05489	5.7
93.07043	4.7
95.04374	0.9
95.04968	14.0
95.08602	2.8
97.06528	1.3
105.07034	3.3
107.04951	2.9
107.08609	3.1
109.06524	14.2
109.10153	0.9
113.06003	22.6
116.64565	0.5
117.07062	2.8
119.08586	3.0
121.06524	0.5
121.10149	1.3
123.08078	0.9
129.06967	1.9
130.07747	0.6
131.08585	4.2
133.06599	0.5
133.10141	1.0
135.04422	0.8
135.08061	12.3
135.11716	1.5
141.07005	0.6
142.72047	0.5
143.08565	1.8
145.10155	2.6
147.08038	1.5
149.09651	1.2
149.13239	0.9
153.01851	1.5
157.10136	1.2
158.92119	0.5
159.11671	1.4
161.09666	1.9
163.11194	0.9
171.11790	0.8
175.11295	0.8
177.12817	0.8
199.14844	0.9
201.12767	0.5
213.05540	0.5
217.15863	4.0
229.04919	0.9
245.19006	0.8
255.17480	0.7
257.04453	22.3
258.05261	3.9
273.18530	8.5
286.04706	8.3
287.05499	13.1
291.19534	25.0
307.19000	1.1
309.21082	0.5
311.09134	0.6
334.20981	0.5
347.22089	3.4
365.23239	40.7
380.52512	0.7
383.11249	100.0
384.11691	1.5
457.57532	0.6
527.28235	0.9
545.16254	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.7
55.05500	4.4
57.03193	1.4
57.03442	19.5
57.07073	1.2
61.02936	1.4
65.03934	2.4
67.05508	27.9
69.03425	1.3
69.07053	4.3
69.16422	1.1
69.67866	2.0
69.68277	3.1
71.04959	1.4
72.70273	1.0
73.02907	1.4
79.05498	16.0
79.08795	0.8
81.03425	1.4
81.07066	15.5
83.04977	1.7
83.08596	2.9
85.02883	2.2
85.06556	15.2
91.05484	13.9
92.49206	1.0
93.07050	10.3
95.04975	37.2
95.08611	6.2
97.02885	1.9
97.06519	3.3
97.10152	1.0
105.07026	10.5
107.04986	4.7
107.08592	9.8
109.06523	36.5
109.10149	2.0
111.08113	2.0
113.06014	45.5
117.07018	6.8
119.06042	1.4
119.08611	6.8
121.06503	3.3
121.10154	2.4
123.08100	1.8
128.06252	1.8
129.07010	2.6
131.08569	7.7
133.06526	1.4
133.10123	4.5
135.08057	30.0
135.11668	4.2
141.06996	1.8
143.08554	4.5
145.06511	1.2
145.10181	5.5
147.08046	3.7
147.11697	2.2
149.09596	3.8
149.13239	2.1
153.01804	2.0
157.10089	3.7
159.07985	1.4
159.11696	3.7
161.09639	6.6
163.11163	2.4
169.10115	1.4
171.11710	2.8
173.13237	1.4
177.12743	2.5
183.11716	1.8
197.25772	1.1
199.14807	2.6
201.12787	2.0
217.15849	9.1
219.13806	1.7
233.15285	1.5
255.17435	1.7
257.04495	14.8
258.05258	5.5
258.07489	1.0
273.18512	26.5
286.04749	10.7
287.05493	25.6
291.19565	78.2
292.12308	1.8
303.93735	1.0
307.18997	1.8
347.15359	1.2
347.22198	14.7
365.23257	60.5
383.11270	100.0
545.16272	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	545.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39147	0.1
67.05479	0.2
68.44587	0.1
79.05486	0.2
81.03405	0.1
81.07030	0.2
97.06493	0.3
109.06461	0.2
113.05980	0.2
135.04427	0.2
153.01865	0.8
178.19556	0.1
180.23532	0.1
203.03404	0.6
217.15875	0.2
229.04984	1.1
231.10376	0.1
242.05820	0.3
250.17049	0.1
256.24152	0.1
257.04453	23.0
258.05252	10.4
259.05930	0.2
269.04608	0.2
270.05167	0.2
285.03998	0.5
286.04721	25.0
287.05505	8.7
291.19647	0.3
297.07520	0.3
313.07019	0.2
325.06934	0.3
337.10596	0.1
354.78357	0.1
355.11810	0.2
360.73120	0.1
365.23355	0.6
383.11246	100.0
384.11557	0.5
545.16553	1.7
571.81586	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	545.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99536	4.5
53.03931	6.7
55.01874	14.1
55.05516	45.3
56.96562	5.4
57.03437	18.6
61.02930	19.5
67.05509	44.2
69.03436	30.4
69.07071	30.3
70.95055	9.5
71.04990	9.8
73.02917	10.0
79.05498	51.3
81.03428	76.8
81.07059	53.7
83.04981	20.5
83.08624	43.4
85.02908	38.4
91.03968	6.7
91.05484	38.3
93.07057	40.3
95.04979	33.1
95.08608	28.0
97.02905	34.2
97.06541	9.3
97.10172	32.6
99.04437	7.0
104.47101	4.0
105.07043	30.5
107.04951	11.0
107.08603	30.3
109.02866	9.1
109.06484	6.8
109.10139	16.1
111.04422	5.2
111.08092	15.5
117.07031	9.0
119.08591	27.8
121.06510	7.2
121.10176	21.7
123.08116	23.7
123.11691	5.5
125.09644	28.7
127.03905	17.2
129.06995	15.8
131.00169	5.0
131.08589	19.5
132.86839	4.0
133.10107	15.7
135.08072	8.8
135.11705	5.2
137.06026	4.4
137.09601	12.5
143.08618	4.9
145.10114	10.9
147.08038	12.0
147.11714	13.0
149.01219	5.0
149.09645	7.2
151.07605	4.6
153.09151	5.1
154.89629	4.1
157.10149	16.6
159.11694	4.8
161.09634	4.3
163.11140	6.3
165.09126	9.1
165.12782	7.1
168.88765	4.9
175.11205	15.6
189.11272	20.4
193.12245	64.8
211.13301	38.9
223.13266	15.0
227.12770	15.1
229.14328	5.5
244.09735	7.3
245.13864	7.7
267.16025	22.5
273.18478	37.9
285.16986	100.0
291.19550	82.0
325.12399	6.2
347.22134	8.8
365.23206	88.2
383.11148	25.1
383.24377	17.6
407.23929	6.2
429.21500	5.4
527.28717	10.8
532.30261	4.8
545.29468	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	544.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03649	0.3
53.03942	0.8
55.01863	0.6
55.05505	1.1
56.96562	0.5
57.03436	2.1
61.00777	0.4
61.02929	9.3
67.05502	2.1
69.03432	4.2
69.07056	1.1
70.06594	3.9
71.01353	0.6
71.04993	0.8
71.56600	0.4
72.08150	0.5
73.02924	5.9
76.29033	0.3
79.05486	1.4
81.03426	1.9
81.07072	2.2
83.04979	0.6
83.08597	0.4
84.08135	0.9
85.02905	9.2
86.09713	1.3
87.04471	0.8
91.03960	6.2
91.05476	2.3
93.07047	1.3
95.08620	2.3
97.02901	7.6
97.06549	0.8
98.97591	0.7
99.04451	0.7
101.02383	1.0
103.03953	0.6
103.05457	1.9
105.07050	0.7
107.08586	1.0
107.35764	0.3
108.08109	0.4
109.02938	0.7
109.06523	0.5
109.10162	1.0
113.13692	0.4
115.03967	0.8
115.05512	0.8
117.07031	1.6
119.04938	0.8
119.08537	0.4
121.06514	0.8
123.04431	2.5
123.11755	0.5
127.03927	2.0
128.06209	0.4
129.07021	1.0
131.00188	0.7
131.04919	4.7
131.08524	0.9
132.08139	0.5
133.06474	0.6
133.10114	0.6
135.04443	0.6
137.05981	9.3
137.09607	0.5
143.04909	0.5
143.08546	0.7
145.04980	0.9
145.06487	2.8
147.03230	0.7
147.04416	9.3
149.01248	0.8
149.05983	16.5
151.06415	0.4
151.07578	1.1
153.06923	0.4
154.08636	1.3
156.03607	1.0
157.06508	2.6
159.06848	0.7
159.08092	1.2
160.05243	0.4
160.07610	0.8
161.06006	6.5
163.03954	0.5
163.07550	5.3
164.07092	3.0
165.05475	1.8
166.08630	1.9
171.08063	0.8
172.07573	0.5
173.05997	7.1
173.08333	0.5
175.07564	10.3
177.05495	1.0
177.09146	1.6
179.06735	0.7
184.07352	0.4
185.09708	0.5
187.07585	2.7
188.07094	3.4
189.09096	4.6
191.07045	0.6
191.10692	0.6
195.08154	0.4
197.77460	0.3
199.07518	2.7
200.14021	0.8
201.09244	0.7
202.08609	0.7
205.08572	0.5
206.08119	1.3
206.11732	0.5
209.09839	0.4
213.09140	2.0
216.06596	0.6
217.07448	0.5
217.11858	1.6
218.08267	0.6
218.12262	0.6
227.14455	0.6
228.13457	0.8
231.08789	2.0
237.12819	0.9
243.09053	1.0
245.15410	0.9
252.09613	0.4
255.13895	3.4
260.09039	0.6
263.40421	0.4
265.11142	0.4
272.16586	0.5
273.14868	6.9
290.17548	4.3
291.15891	1.4
292.09741	0.5
296.71564	0.4
308.18683	0.4
312.11548	2.5
331.09546	0.5
333.11929	0.4
341.11777	2.6
342.12299	0.4
347.18478	0.5
349.10727	0.6
350.12384	4.9
350.62552	0.6
364.21243	2.1
365.19434	1.8
366.13254	0.8
382.22266	27.7
384.14447	0.5
392.11447	1.4
393.13153	0.7
410.12140	1.1
410.16257	1.2
427.12888	0.6
428.13034	0.8
535.92438	0.4
544.14612	7.5
544.27521	100.0
545.27997	1.0
563.14148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03649	0.3
53.03942	0.8
55.01863	0.6
55.05505	1.1
56.96562	0.5
57.03436	2.1
61.00777	0.4
61.02929	9.3
67.05502	2.1
69.03432	4.2
69.07056	1.1
70.06594	3.9
71.01353	0.6
71.04993	0.8
71.56600	0.4
72.08150	0.5
73.02924	5.9
76.29033	0.3
79.05486	1.4
81.03426	1.9
81.07072	2.2
83.04979	0.6
83.08597	0.4
84.08135	0.9
85.02905	9.2
86.09713	1.3
87.04471	0.8
91.03960	6.2
91.05476	2.3
93.07047	1.3
95.08620	2.3
97.02901	7.6
97.06549	0.8
98.97591	0.7
99.04451	0.7
101.02383	1.0
103.03953	0.6
103.05457	1.9
105.07050	0.7
107.08586	1.0
107.35764	0.3
108.08109	0.4
109.02938	0.7
109.06523	0.5
109.10162	1.0
113.13692	0.4
115.03967	0.8
115.05512	0.8
117.07031	1.6
119.04938	0.8
119.08537	0.4
121.06514	0.8
123.04431	2.5
123.11755	0.5
127.03927	2.0
128.06209	0.4
129.07021	1.0
131.00188	0.7
131.04919	4.7
131.08524	0.9
132.08139	0.5
133.06474	0.6
133.10114	0.6
135.04443	0.6
137.05981	9.3
137.09607	0.5
143.04909	0.5
143.08546	0.7
145.04980	0.9
145.06487	2.8
147.03230	0.7
147.04416	9.3
149.01248	0.8
149.05983	16.5
151.06415	0.4
151.07578	1.1
153.06923	0.4
154.08636	1.3
156.03607	1.0
157.06508	2.6
159.06848	0.7
159.08092	1.2
160.05243	0.4
160.07610	0.8
161.06006	6.5
163.03954	0.5
163.07550	5.3
164.07092	3.0
165.05475	1.8
166.08630	1.9
171.08063	0.8
172.07573	0.5
173.05997	7.1
173.08333	0.5
175.07564	10.3
177.05495	1.0
177.09146	1.6
179.06735	0.7
184.07352	0.4
185.09708	0.5
187.07585	2.7
188.07094	3.4
189.09096	4.6
191.07045	0.6
191.10692	0.6
195.08154	0.4
197.77460	0.3
199.07518	2.7
200.14021	0.8
201.09244	0.7
202.08609	0.7
205.08572	0.5
206.08119	1.3
206.11732	0.5
209.09839	0.4
213.09140	2.0
216.06596	0.6
217.07448	0.5
217.11858	1.6
218.08267	0.6
218.12262	0.6
227.14455	0.6
228.13457	0.8
231.08789	2.0
237.12819	0.9
243.09053	1.0
245.15410	0.9
252.09613	0.4
255.13895	3.4
260.09039	0.6
263.40421	0.4
265.11142	0.4
272.16586	0.5
273.14868	6.9
290.17548	4.3
291.15891	1.4
292.09741	0.5
296.71564	0.4
308.18683	0.4
312.11548	2.5
331.09546	0.5
333.11929	0.4
341.11777	2.6
342.12299	0.4
347.18478	0.5
349.10727	0.6
350.12384	4.9
350.62552	0.6
364.21243	2.1
365.19434	1.8
366.13254	0.8
382.22266	27.7
384.14447	0.5
392.11447	1.4
393.13153	0.7
410.12140	1.1
410.16257	1.2
427.12888	0.6
428.13034	0.8
535.92438	0.4
544.14612	7.5
544.27521	100.0
545.27997	1.0
563.14148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.01871	6.0
55.05512	22.8
56.35378	0.9
57.03447	5.5
57.07064	2.5
59.05006	1.0
59.87218	1.0
65.03936	3.0
67.05507	52.1
69.03439	1.7
69.07071	24.5
71.05000	3.3
79.05493	42.4
81.03416	3.5
81.07058	54.9
83.04988	6.1
83.08619	14.2
85.06571	2.3
86.09716	1.1
91.05484	31.5
93.07042	40.2
95.01367	1.2
95.04961	7.6
95.08606	27.4
97.02850	1.0
97.06542	11.4
97.10172	7.4
98.21527	2.1
99.08105	1.9
101.35755	1.0
104.10745	0.9
105.07032	32.0
107.04966	4.5
107.08594	30.4
109.02948	1.1
109.06535	4.2
109.10146	11.8
111.08092	4.3
115.05517	1.6
117.07020	16.5
119.08585	21.8
121.06493	2.2
121.10152	12.6
123.08044	1.8
123.11712	4.3
125.09626	6.1
128.06198	2.4
129.07001	6.8
130.07884	1.8
131.08582	23.8
133.06465	1.3
133.10133	15.1
135.00961	1.0
135.08064	4.3
135.11684	6.8
137.09599	3.0
137.13205	1.1
141.07005	4.9
142.07803	2.6
143.08553	8.2
144.09346	1.4
145.06502	2.1
145.10121	21.3
147.08046	1.7
147.11690	7.6
149.09624	7.9
149.13243	9.2
151.11234	1.7
155.08540	7.4
156.09366	1.3
157.10141	9.3
158.11000	1.0
159.08049	1.7
159.11703	15.2
161.13252	4.2
163.11188	5.5
165.12807	1.2
167.08554	2.1
167.14264	1.2
168.09276	1.2
169.10126	6.5
171.11687	7.0
173.09729	2.3
173.11952	1.6
173.13213	5.8
175.11212	1.7
177.12755	3.0
179.14316	4.4
181.10156	2.8
183.11726	6.7
184.07288	2.9
185.09637	1.4
185.13240	5.4
187.14828	2.3
189.11267	4.6
195.11717	3.2
195.13844	3.0
197.13356	2.9
199.11320	1.4
199.14796	2.8
201.16252	1.0
207.11768	1.3
208.12582	1.1
209.13287	2.4
211.14835	2.3
213.16360	1.1
221.13268	1.4
223.14827	1.3
227.12805	3.0
229.19479	1.7
231.30676	1.0
239.18004	2.4
255.20952	1.0
257.19025	9.0
259.20581	2.4
269.17493	1.7
275.20093	30.2
283.20511	2.3
293.21198	2.2
299.20038	1.9
299.23666	2.0
301.21759	1.7
313.21469	1.3
331.22897	2.7
339.23282	2.0
342.80466	1.2
384.74078	1.1
415.30054	1.4
423.32648	2.5
431.28180	2.5
433.31079	5.5
451.32153	10.0
456.30466	1.2
469.32889	6.1
487.34586	1.9
507.34613	1.4
515.37048	1.1
525.35718	19.3
543.36798	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.1
55.01872	3.7
55.05518	15.6
55.84282	1.0
57.03433	3.6
57.07079	1.1
67.05508	26.3
69.03433	2.1
69.07076	8.2
70.10856	0.8
70.38950	2.7
71.04995	1.5
79.05500	18.8
79.05964	1.3
81.03419	6.4
81.07059	21.8
83.04981	3.1
83.08627	7.0
85.02893	1.6
85.06541	1.7
89.40048	0.8
91.05481	18.1
93.07047	18.3
95.04992	4.4
95.08611	12.7
97.06546	2.6
97.10181	8.7
105.07046	18.0
107.04950	2.8
107.08601	12.0
109.06526	1.6
109.10163	9.4
111.08100	2.3
113.57816	0.8
115.05478	1.4
117.07033	10.0
119.08582	11.6
121.06517	2.0
121.10129	5.7
123.08127	2.0
123.11715	1.3
125.09647	4.9
128.06262	2.4
129.07002	8.8
130.07764	1.0
131.08559	15.7
133.06516	1.2
133.10123	7.1
135.08070	2.5
135.11732	3.4
137.09660	1.1
141.07010	3.6
142.07794	2.8
143.08562	7.4
145.06482	2.2
145.10133	12.7
147.06796	0.9
147.08025	0.9
147.11734	5.5
149.13271	2.1
155.08586	5.0
157.10155	10.6
159.08092	1.7
159.11700	7.4
161.09724	2.0
161.13275	3.1
163.11180	2.0
164.01849	0.8
167.08568	1.9
169.10149	7.3
171.08092	2.0
171.11722	9.2
173.09669	1.4
173.11964	1.3
173.13266	5.2
175.11252	1.3
177.81367	0.9
179.08566	1.6
181.10213	3.6
183.11717	5.9
185.09740	1.1
185.13277	5.8
187.11288	2.2
187.14857	2.5
189.11264	2.5
193.12305	1.9
195.11731	2.9
197.09776	1.0
197.13319	3.6
199.11229	1.9
199.14905	3.4
201.12866	1.1
207.11787	1.1
209.13327	3.5
211.14967	2.0
213.12836	1.5
213.16458	1.4
213.31177	0.9
220.62793	0.9
221.13254	1.3
223.14963	1.5
227.12846	3.3
229.14439	1.1
241.19589	2.0
259.20670	3.2
263.17859	0.9
267.08856	0.9
267.15927	2.6
275.20151	1.0
277.21735	1.3
297.22250	2.7
299.20490	0.9
299.23709	3.2
301.21735	1.2
302.17694	1.6
303.39154	1.0
309.22412	1.1
313.21637	1.3
315.23206	1.2
320.62271	0.9
333.24246	1.9
339.23636	1.3
357.24164	1.8
371.25803	1.6
389.19052	1.2
405.31561	1.1
415.30154	1.8
433.31100	6.9
451.31918	9.2
469.33020	4.4
507.34821	1.6
515.37439	1.3
525.35760	18.5
525.42957	1.7
543.36871	100.0
544.37158	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01865	0.8
55.05265	0.8
55.05508	12.7
55.14033	0.6
56.05024	2.0
57.03440	7.5
57.07061	2.5
60.27695	0.5
65.03922	1.1
67.05503	27.7
69.07069	17.9
71.04987	1.0
71.07031	0.8
71.07375	9.9
71.08620	0.7
71.16729	0.8
71.17067	1.3
74.48683	0.5
79.05056	0.8
79.05490	8.9
81.07053	30.9
83.04987	1.2
83.08619	9.2
85.06537	1.2
85.10197	0.7
86.09705	58.3
91.05489	5.4
93.07044	8.7
95.08604	22.7
97.06513	2.0
97.10151	4.3
98.75298	0.6
99.08081	0.9
104.10740	5.4
105.07047	3.6
107.08600	4.8
107.49352	0.5
109.10152	7.0
111.08081	1.0
111.11693	0.6
119.08596	3.1
121.10153	2.8
123.11721	3.5
133.10133	3.3
135.11678	1.7
137.13234	1.6
141.98239	0.6
146.98177	89.3
147.11684	1.5
149.13324	0.7
151.14841	0.7
160.68610	0.6
161.13261	1.2
162.16139	0.7
164.99202	0.8
184.07434	0.8
188.00835	1.1
192.83632	0.6
208.24844	0.6
219.17540	0.5
240.10008	0.8
337.27362	19.0
359.25558	5.9
392.91422	0.6
396.19684	0.8
460.53876	0.7
483.24829	100.0
489.27377	0.7
542.32141	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.6
55.01873	11.8
55.05512	35.0
57.03436	27.4
57.07072	3.5
57.97862	1.4
59.05009	4.5
61.02915	4.8
63.57779	1.4
65.03933	3.1
67.05506	100.0
69.03431	53.4
69.03785	1.3
69.07067	15.9
71.01348	3.7
71.04990	12.5
71.57111	2.7
73.02918	9.1
79.05496	27.1
81.03421	49.7
81.07062	36.5
83.04974	19.0
83.08622	15.8
83.88324	1.7
85.02910	24.8
85.06536	3.0
85.33868	1.4
87.04454	5.7
91.03993	1.8
91.05474	25.3
91.29213	1.5
93.07050	21.4
95.04967	9.4
95.08617	13.8
97.02891	38.3
97.03522	2.6
97.06539	12.3
97.10162	19.9
99.04463	12.0
99.08105	2.7
99.84503	1.4
101.02380	2.6
103.03940	5.3
105.07030	14.2
107.04948	6.8
107.08595	14.4
108.13049	1.5
109.02882	13.4
109.06523	4.4
109.10161	79.6
110.36732	1.4
111.04453	6.1
111.08110	6.7
111.72909	1.7
115.03896	1.6
116.04723	3.3
117.06998	5.3
117.59707	1.3
119.08590	15.5
121.06532	3.3
121.10146	7.1
123.08120	2.4
125.09624	23.0
126.91690	1.4
127.03924	26.1
127.04806	2.0
129.05489	14.8
129.07007	5.1
131.00211	1.7
131.08565	7.9
133.10118	5.9
135.08051	2.4
135.11705	6.2
137.06021	2.3
137.09639	6.0
139.11134	1.7
143.08572	3.1
143.10629	3.0
145.04984	5.4
145.10118	6.7
147.11684	4.4
149.09628	4.2
153.09117	1.7
153.12773	2.3
155.08604	1.8
155.10730	7.3
157.08621	4.7
157.10115	5.9
159.11688	4.5
161.09532	2.0
161.13318	1.5
163.11200	6.7
165.12720	2.0
169.08708	1.6
169.10182	1.9
171.10185	2.5
171.11682	4.7
173.04457	26.8
173.11757	31.8
173.13173	2.5
175.11224	4.2
177.00687	1.6
181.12201	1.8
184.07321	2.7
185.11823	1.9
189.11217	3.0
193.12254	5.8
199.13295	2.5
209.11667	3.9
211.13277	2.8
213.57484	1.5
227.12708	4.6
229.14359	65.7
257.13968	8.2
267.15936	4.0
275.20065	4.2
375.13004	1.6
389.60120	1.9
427.67441	1.6
525.35510	2.2
543.19366	2.9
543.27850	70.1
543.36237	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	542.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	0.9
60.85629	0.4
68.09667	0.4
69.03429	1.3
69.90358	1.9
79.05498	0.8
85.02908	2.1
91.05470	1.3
93.07052	1.1
97.02907	1.1
98.97591	1.6
99.06361	0.4
102.56142	0.4
103.05465	7.1
107.04948	2.7
110.97556	0.9
116.98626	0.6
119.04964	0.9
120.08107	100.0
121.06477	0.4
127.03914	0.6
131.04916	3.1
135.04352	0.5
137.05969	1.5
138.88889	0.4
140.07072	0.5
145.04922	0.7
147.04399	2.1
149.05994	2.5
151.07591	0.5
157.01730	0.8
166.08643	52.8
167.07025	1.2
179.07043	2.8
192.93860	0.4
215.05881	0.7
219.01822	1.5
237.02856	1.4
245.61485	0.4
359.10077	1.7
377.11145	4.0
542.18707	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.9
57.03447	1.1
57.83420	0.5
61.02936	1.5
67.05509	10.4
69.03441	5.6
69.07068	0.7
69.09646	0.5
70.06600	1.3
71.35651	0.9
79.05496	0.9
81.03426	2.9
81.07063	5.8
82.97872	0.6
85.02916	5.5
86.09724	0.9
89.08324	0.5
91.03957	0.7
91.05484	1.4
93.07067	2.5
95.04964	2.3
95.08625	3.8
97.02888	2.8
97.06541	0.6
99.04462	1.5
107.08607	1.7
109.02892	2.0
109.06516	1.4
109.10165	33.6
112.44131	0.5
119.08622	2.9
121.10191	1.3
125.06004	2.3
127.03921	2.5
137.09625	100.0
145.04994	1.2
147.11670	0.7
155.10693	5.8
165.09125	85.1
183.10184	12.8
201.11224	22.3
208.08655	0.6
219.12341	0.7
236.63121	0.6
267.12195	1.6
288.16025	0.5
291.12280	1.6
309.13388	7.6
327.14438	9.0
345.15463	31.5
349.11981	0.6
380.20804	1.7
542.26056	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.7
56.05025	0.9
57.03436	0.8
58.06606	0.5
60.07885	0.4
60.08168	4.9
67.05510	4.1
69.07072	2.3
70.71725	0.4
71.07381	3.3
79.05490	1.6
81.07058	4.5
83.08618	1.0
86.09708	20.9
91.05483	0.8
93.07051	1.6
95.08609	3.2
97.06527	0.4
97.10175	0.7
104.10748	100.0
105.07030	0.5
107.08591	0.7
109.10171	1.1
119.08595	0.4
121.10161	0.6
123.11721	0.6
133.10129	0.5
136.59830	0.3
146.98184	12.3
147.11653	0.3
176.99255	0.8
238.20901	0.3
264.73840	0.3
337.27435	2.1
431.55103	0.3
439.22415	0.5
483.24857	46.6
542.32172	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.9878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	4.7
69.75060	1.0
69.75478	0.5
71.95263	1.5
76.06422	0.2
84.84469	0.2
98.83961	0.2
98.97585	71.7
102.33610	0.2
106.44278	0.3
116.98623	37.4
130.93327	0.4
132.98438	0.2
134.99669	10.5
140.00246	0.8
153.00708	0.7
154.93422	0.3
158.01190	0.2
172.94331	2.9
190.95396	2.9
190.97012	0.3
197.95207	0.4
208.96547	0.7
214.95418	3.8
216.98613	0.2
232.96484	7.1
240.98817	1.0
248.94379	0.2
250.97591	3.2
256.96432	19.0
257.96811	0.3
258.99762	8.3
260.00122	0.3
261.00027	0.3
261.03030	0.4
272.94592	0.7
274.97513	100.0
275.97934	0.7
276.98093	0.5
277.00824	9.4
283.00043	1.0
284.00128	0.3
284.99860	0.4
290.95667	0.6
292.98563	50.0
296.94681	0.3
297.99097	2.5
298.97760	1.8
300.02380	0.3
301.01083	0.7
302.01535	0.4
303.01053	0.6
308.96765	0.2
310.99554	0.3
314.95621	0.9
316.00269	1.3
316.98856	2.1
317.99219	0.5
332.96671	1.0
356.96637	0.4
374.97705	1.3
382.99979	0.9
398.97635	27.3
401.00867	2.7
414.95770	0.7
416.98703	48.8
417.98975	0.9
432.96658	0.9
434.99869	5.4
440.00381	3.0
440.99036	0.6
445.02136	0.4
456.96658	1.7
457.96780	0.5
459.00113	0.5
474.98526	0.3
498.98047	0.5
519.50806	0.3
522.97998	0.4
525.00629	0.3
540.98865	20.6
541.98438	0.4
556.96503	0.5
558.96405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85864	0.6
53.70254	0.5
55.05503	1.2
57.07076	6.2
58.07409	0.7
64.20215	0.5
65.45182	0.5
67.05497	1.7
68.07470	0.6
69.07048	1.4
70.06588	3.9
71.08626	2.4
71.57182	0.8
79.05482	1.0
81.07052	1.5
83.08604	1.0
85.10180	0.8
88.07626	6.1
91.05502	0.7
93.07043	0.6
95.08620	1.4
97.10209	0.6
102.09161	5.3
103.09520	0.6
105.03149	2.4
107.08611	0.8
109.02625	0.7
109.10184	1.0
137.02080	1.2
145.10132	0.7
148.66652	0.7
152.08055	0.8
198.97438	0.9
233.15146	0.7
234.12256	4.4
240.43141	0.6
247.13196	1.6
248.13853	2.2
256.26331	10.1
256.28745	0.9
257.26730	5.4
261.14627	13.1
261.17288	1.1
283.26428	2.5
284.26636	1.6
284.29541	2.1
285.29822	1.1
301.17667	1.0
311.29459	8.6
312.29761	6.9
315.19614	0.9
329.21136	1.0
376.39908	0.6
523.34155	1.1
540.53430	10.0
541.34998	100.0
541.53625	34.0
542.35242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51808	0.6
56.96540	0.7
57.03436	1.2
61.02921	1.8
62.71742	0.6
64.43124	0.6
67.05486	0.9
69.03419	2.6
69.07063	1.2
70.06591	1.4
71.56718	1.1
73.02908	0.7
79.05497	1.2
81.03422	1.6
81.07046	1.9
84.08121	0.8
85.02904	7.9
91.03942	0.7
91.05477	7.3
93.07070	1.6
94.04195	0.8
95.04976	1.6
95.08585	1.2
97.02888	2.7
97.06537	1.7
103.05472	1.0
105.07057	1.9
107.04949	2.3
107.08564	0.9
109.06506	1.0
111.04452	0.5
112.09406	0.7
115.05511	1.0
119.04929	4.5
119.08588	0.7
121.06502	1.9
121.81123	0.6
122.03637	1.1
127.03931	1.2
128.06183	0.8
129.07007	3.7
131.04929	1.8
133.06502	1.2
135.08061	1.1
135.11674	0.6
136.05196	0.7
137.05977	31.7
139.07561	0.6
145.04945	0.9
145.06516	0.7
147.04425	1.1
149.05974	4.7
151.03951	1.2
151.07544	32.5
157.06468	3.6
161.06004	3.9
161.09641	0.9
163.07536	9.6
165.07018	1.3
165.09149	1.4
167.07257	0.8
167.08611	2.7
174.06792	1.9
175.07561	2.6
177.09158	4.2
178.07788	1.1
179.08583	0.7
181.15993	0.6
189.09126	12.9
193.06496	1.2
193.10136	2.6
195.08025	6.0
197.06038	0.9
207.10213	1.6
209.09650	1.3
210.06816	1.1
212.08328	1.2
221.06010	2.3
221.09561	3.6
223.07576	3.4
224.08278	0.8
225.09035	3.1
227.07101	0.8
227.10637	10.3
233.11761	2.0
237.09135	1.0
238.06270	0.9
240.07776	0.9
249.09137	1.8
250.14391	1.3
253.08598	4.7
253.12183	5.7
255.10150	9.9
267.10156	1.7
269.08005	1.4
272.10550	0.9
281.11639	1.9
283.09537	0.6
284.10391	0.9
285.11224	7.3
287.12756	19.9
299.13013	1.0
301.14404	0.7
311.12787	0.7
313.14346	20.2
325.14322	1.9
331.15399	100.0
343.15274	4.0
478.20844	0.9
540.23877	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.05500	1.5
57.03432	0.9
61.02914	1.5
61.80963	0.7
66.25737	0.7
67.05489	1.4
67.14282	0.7
69.03408	3.0
69.07052	2.8
70.06585	3.2
71.04995	1.5
71.56570	0.8
73.02916	1.3
79.05486	2.2
81.03403	2.4
81.07047	2.9
83.04994	0.9
84.08159	1.5
85.02907	9.1
86.09706	1.9
89.35097	0.7
91.05476	7.6
93.07036	1.8
95.04945	2.6
95.08594	2.5
97.02882	2.7
97.06513	3.4
98.97575	1.1
103.05502	1.2
105.07069	1.6
107.04938	1.6
107.08636	0.9
109.02856	1.5
109.06520	2.8
109.10140	1.2
117.07003	0.8
119.04935	6.5
120.08105	1.0
121.06502	2.4
122.03648	1.4
127.03934	1.6
129.07016	4.3
131.04897	2.4
131.08531	1.0
133.10153	1.4
135.08018	2.2
136.05176	1.0
136.07567	0.9
137.05983	36.4
141.06926	0.8
145.04930	1.5
145.06494	1.2
149.05994	6.0
151.03975	0.9
151.07542	37.9
157.06476	4.8
158.07359	0.9
161.06007	4.5
161.09599	1.1
163.07536	11.2
165.07043	1.0
165.09129	1.7
167.08566	3.1
174.06726	1.8
175.07591	4.1
177.09172	3.7
179.08501	0.9
189.09100	14.5
193.06519	1.6
193.10139	1.7
195.08060	8.8
201.09135	0.9
207.10165	2.9
209.09686	1.0
210.06798	1.8
212.08488	0.8
221.05995	2.6
221.09612	3.3
221.11557	1.3
223.07552	4.3
224.08302	1.0
225.09070	2.6
227.10669	11.6
233.11697	5.4
237.08998	1.3
249.09160	1.1
250.14343	3.6
253.08652	4.5
253.12219	6.9
255.06352	0.8
255.10159	11.5
265.08371	1.1
267.10120	2.5
269.08136	1.4
269.11450	0.8
272.10483	1.1
281.11633	2.8
285.11185	7.2
287.05875	0.9
287.12775	20.6
288.05667	0.9
290.06125	0.8
299.12793	1.5
302.17505	1.0
313.10980	1.6
313.14362	21.4
325.14099	1.0
331.15396	100.0
343.15378	3.3
367.03607	0.7
466.24738	0.9
478.20624	2.7
531.28186	1.1
540.15021	1.2
540.22937	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	539.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01863	1.1
55.05513	14.2
55.46481	0.6
57.03441	0.9
57.07075	5.3
59.05002	1.5
65.03933	1.5
67.05508	28.3
67.94497	0.6
69.06726	1.0
69.07073	13.0
71.05000	1.6
71.08625	3.8
71.56595	0.7
79.05496	9.1
81.03417	0.6
81.07056	21.7
83.04969	1.2
83.08622	8.1
85.06547	1.2
85.10163	1.2
86.09716	1.1
91.05477	6.1
93.07043	9.2
95.08606	13.8
97.06528	1.7
97.10180	5.1
99.08089	1.2
105.07039	9.6
105.95059	0.6
107.08590	6.0
109.06509	0.9
109.10165	11.0
111.08115	0.9
111.11761	0.7
115.05439	1.2
117.07019	8.2
119.08591	13.5
121.10155	3.4
123.08086	1.0
123.11725	1.9
125.09635	3.0
127.07633	0.7
127.11141	0.8
128.06230	1.8
129.06999	10.2
130.07794	1.1
131.08571	26.8
133.10136	4.9
135.11671	1.8
137.13286	0.8
141.06987	3.5
142.07802	2.0
143.08568	20.6
144.09369	1.2
145.10130	46.2
147.11661	2.8
149.13272	1.0
151.14893	0.7
154.07713	1.1
155.08569	9.4
156.09418	1.0
157.10130	18.8
158.10887	0.6
159.11691	15.7
161.13255	4.1
167.07352	1.0
167.08545	3.7
168.09303	0.8
169.10118	10.4
171.11693	13.3
173.13272	8.2
175.14853	3.3
179.08627	1.0
181.10146	7.3
183.10207	1.2
183.11685	8.5
185.13258	9.9
187.14827	16.4
189.16452	1.4
195.11676	6.5
197.13260	9.5
199.14819	10.3
201.16389	12.4
207.11734	1.1
209.13226	4.8
211.14799	8.3
211.16481	0.8
213.16411	9.0
215.17950	6.2
221.13295	0.7
223.14841	4.2
225.16428	6.0
227.14317	0.7
227.17937	6.3
229.16054	0.7
229.19501	3.5
235.14862	0.7
237.16399	4.2
239.17928	5.0
241.16032	0.7
241.19397	2.8
243.21126	3.1
251.18002	2.6
253.19534	4.6
255.17625	1.1
255.21060	2.6
257.19067	0.8
257.22650	3.5
265.19574	1.8
267.21140	4.2
269.19040	1.3
269.22638	2.6
271.20514	1.2
271.24298	1.5
279.21066	1.0
281.10776	0.7
281.22678	2.5
282.33005	0.5
283.20670	1.4
283.24118	1.2
285.22263	0.7
293.22610	1.2
295.24329	2.4
297.22253	1.9
297.25851	1.6
299.23883	1.4
307.24225	1.3
309.25714	1.9
311.23688	2.1
311.27057	1.0
313.25244	3.2
315.23370	1.0
321.22177	0.7
321.25894	0.8
325.25372	1.7
327.23248	0.8
327.26868	2.4
329.24902	1.2
339.23233	1.0
339.27002	1.5
341.28427	1.7
343.26532	1.0
349.25204	1.6
351.30594	0.8
353.28629	1.2
367.26151	0.8
367.30121	1.5
369.31808	1.0
377.28110	0.7
379.33667	1.3
381.27408	0.9
381.31714	1.5
383.33096	2.0
385.31155	1.8
391.29678	1.2
395.28625	0.7
395.33429	3.6
397.34790	2.4
399.32629	0.9
405.31628	1.4
409.30188	0.7
409.35263	3.0
411.36615	0.7
413.34198	1.7
419.33170	1.7
421.34106	0.8
423.31940	2.7
425.34106	1.4
427.35718	0.8
433.34637	3.0
435.36163	0.7
437.33887	3.0
439.35709	1.3
451.35632	6.2
453.37256	0.7
455.35486	1.3
465.37314	2.5
469.36792	1.2
493.43936	0.8
503.42514	10.5
521.43585	100.0
522.43970	1.0
539.19208	7.3
539.31049	2.5
539.44611	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01844	0.5
55.05508	4.2
56.62042	0.4
56.96564	0.6
57.03414	0.9
57.07047	1.6
65.03933	0.5
67.05511	7.1
69.03417	0.7
69.07081	3.1
71.04951	0.6
71.08601	0.9
73.02901	0.6
79.05498	6.2
81.03396	1.1
81.07066	7.2
82.95438	0.4
83.04965	1.3
83.08636	2.0
84.84749	0.4
85.06517	0.5
86.09721	2.2
91.05489	6.5
92.85232	0.5
93.07045	6.0
95.04939	1.6
95.08624	5.0
97.02882	0.5
97.06513	0.6
97.10164	1.1
98.97562	1.0
101.45222	0.4
104.10707	1.0
105.07035	6.4
107.04871	0.8
107.08621	2.6
109.06432	0.4
109.10164	2.3
112.99075	0.5
116.20178	0.4
117.07047	2.6
119.08587	4.3
121.10084	1.8
123.08060	0.6
123.11642	0.5
125.00001	1.0
128.06183	1.0
129.06989	3.4
131.08571	2.9
133.10161	2.7
135.11667	0.8
141.06917	1.5
142.07713	0.6
143.08575	3.6
145.10136	3.2
147.07956	0.6
147.11681	2.2
149.13234	0.7
154.07744	0.5
155.08562	3.3
156.09268	0.6
157.10167	3.8
159.11621	1.9
161.13162	1.2
163.11037	0.5
165.06897	0.5
167.08493	1.8
169.10155	4.0
171.10428	0.4
171.11690	3.8
173.13158	1.1
174.16481	0.4
179.08522	0.9
181.10167	3.0
182.10809	0.5
183.11696	3.1
184.07364	2.8
185.13191	1.8
187.14748	0.5
189.12675	0.6
193.10072	1.5
195.11736	2.7
197.13133	1.8
199.14740	0.7
203.05167	1.2
207.11612	1.2
209.11414	0.5
209.13155	1.8
211.14783	1.0
213.16379	0.9
216.89740	0.4
219.11617	0.5
221.13225	0.9
223.14743	1.7
235.14772	0.8
237.16353	1.0
239.23593	0.7
241.19493	0.7
249.16443	0.4
251.18019	0.6
259.07715	0.7
259.20428	0.9
316.16800	0.4
319.19394	0.5
321.22250	1.4
335.23294	0.6
337.20227	0.5
349.25113	0.6
353.24762	0.5
429.31320	0.9
447.32721	4.3
465.33826	2.1
483.34500	0.9
503.34885	0.8
521.36365	3.4
538.81757	2.6
539.31335	100.0
539.36890	9.9
540.31482	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.05513	0.8
57.03458	0.3
57.07067	1.3
59.05005	0.3
67.05498	1.3
69.03423	0.5
69.07059	0.4
70.08239	0.3
71.08631	1.0
73.02925	0.5
78.51006	0.3
79.05486	0.9
81.07052	1.2
83.04974	0.4
83.08617	0.7
85.02904	0.5
85.10175	0.4
85.39493	0.3
86.09736	0.3
91.05474	0.8
93.07050	0.7
95.04945	0.5
95.08608	1.0
97.06509	0.4
97.10184	0.5
98.20748	1.0
105.07012	0.6
107.08591	0.4
109.02858	0.4
109.10150	0.6
111.04436	0.7
117.07024	0.4
119.08611	0.4
120.35579	0.3
121.10152	0.4
123.11752	0.4
145.10161	0.5
149.02386	0.3
184.07361	0.7
185.04195	0.4
209.11755	1.2
234.14676	0.3
237.13933	0.3
239.23724	1.0
286.09546	0.3
311.25769	0.4
313.27472	0.5
321.22894	0.4
323.25211	0.4
377.26767	0.4
521.38074	0.5
539.31946	100.0
540.32367	1.1
549.57587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
53.53939	1.4
55.01880	2.9
55.05512	18.0
57.07064	2.7
64.28761	1.7
67.05505	18.6
69.07088	9.9
69.91911	7.8
71.08594	1.8
79.05492	15.2
81.03411	4.3
81.07059	26.3
83.04986	4.4
83.08626	15.3
86.09697	5.0
91.05473	17.8
93.07060	18.4
94.01743	1.6
95.04977	30.7
95.08617	12.0
96.06126	1.4
97.06544	9.4
97.10172	6.4
99.08096	1.9
101.08150	1.5
104.10747	6.9
105.07040	21.3
107.04957	5.2
107.08596	13.9
107.65648	1.5
109.06548	3.7
109.10157	6.9
117.06970	7.5
119.08582	20.4
121.06507	3.3
121.10178	10.9
122.95374	1.6
123.08083	3.4
123.11756	3.5
124.99990	1.7
125.09657	4.7
129.07008	3.0
131.08571	8.1
133.10153	15.6
135.08035	3.7
135.11688	6.7
137.09631	2.5
139.11253	1.8
143.08566	2.5
145.10141	15.7
147.08005	2.9
147.11668	10.9
149.09621	18.9
151.11188	4.4
155.08638	2.0
157.10150	2.1
159.11685	6.7
161.13213	2.2
163.11209	19.4
165.12759	5.8
168.42830	1.5
169.10123	2.2
171.11679	3.2
173.09589	2.8
173.13264	2.1
175.11241	2.7
177.12784	2.5
179.78513	1.7
183.11746	2.4
184.07364	9.0
187.11206	2.5
189.11217	5.4
197.13322	2.7
223.13312	26.5
229.14314	2.4
229.19630	3.0
239.18004	6.2
257.19028	12.4
275.20071	100.0
293.21133	54.0
496.07849	1.5
520.30902	3.0
538.31232	8.0
538.38348	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	538.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70939	2.7
51.83416	2.4
53.57943	2.4
55.01862	4.0
55.05511	13.9
56.93843	2.8
57.03455	3.1
57.07062	4.4
58.99588	5.1
61.02922	5.9
65.03930	3.1
67.05511	21.0
69.03434	17.9
69.06727	3.4
69.07070	34.7
70.06581	5.1
71.04990	6.3
71.56625	3.8
72.08178	4.1
72.16461	2.4
73.01123	2.3
73.02930	4.9
74.00662	4.3
79.05492	21.9
81.03416	7.0
81.07060	61.3
83.04965	3.5
83.08597	4.4
84.08146	3.5
84.67345	2.5
85.01139	5.9
85.02903	24.0
85.06566	2.5
86.00665	4.0
86.09702	4.4
87.02698	2.7
87.04429	3.4
88.02219	27.7
88.03980	11.9
88.38897	2.5
91.03937	2.8
91.05486	26.3
93.07048	71.2
95.04970	9.2
95.08609	45.5
97.02881	11.9
97.06527	13.0
97.10168	4.1
99.02661	9.2
100.02209	24.6
105.07031	46.1
105.07693	4.4
107.07866	5.3
107.08594	83.1
109.02864	3.4
109.06525	14.2
109.10159	47.8
109.10844	4.6
110.62079	2.3
111.02661	10.4
112.95429	2.4
113.04236	6.0
116.01617	2.8
117.07056	13.1
119.01660	8.7
119.07798	3.3
119.08588	36.0
120.99548	3.4
121.06517	4.3
121.10155	37.4
122.02742	14.1
123.08118	5.1
123.11730	9.1
125.04211	2.7
125.09652	8.4
127.03932	4.8
127.05818	2.7
128.05321	2.9
129.03714	4.0
129.07010	3.7
130.07814	5.0
130.91460	2.6
131.08603	22.1
132.01169	11.9
133.10161	28.2
134.02699	9.6
135.08057	4.8
135.11700	39.7
137.05974	13.4
137.09669	3.2
137.13240	3.2
138.02232	9.4
139.05745	2.7
140.05266	5.4
141.03709	5.3
143.08578	6.3
144.09343	6.2
145.04961	4.0
145.10124	51.8
146.02721	33.7
147.11700	16.7
149.09575	3.4
149.13271	42.5
151.11211	4.3
153.03822	3.0
157.10121	7.0
159.11685	40.5
161.13300	9.1
163.11189	7.0
164.03711	4.1
169.06894	3.0
172.04222	4.5
173.13277	13.0
174.05891	5.4
175.14842	4.7
177.16438	4.5
181.22832	3.3
184.07364	3.8
186.05844	11.4
186.10426	3.0
187.04260	9.0
189.16405	4.3
199.14819	3.9
200.07387	4.4
201.16374	82.4
204.06801	6.9
208.06358	9.0
219.17471	23.0
227.16515	4.3
233.11516	3.2
233.13571	6.4
235.15080	3.2
241.94824	2.4
251.14636	12.8
259.15015	3.8
269.15674	6.7
284.13089	3.5
311.12634	5.1
322.18335	38.7
323.16577	3.0
324.11591	4.8
333.11874	3.4
340.19415	100.0
341.17487	3.1
358.20483	78.3
376.21527	36.9
452.96432	2.8
502.24973	5.0
520.25964	3.6
538.27094	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	537.3272
Annotation	glas#24
Peak:m/z	Relative Intensity
53.03938	4.8
55.05265	2.8
55.05511	40.3
57.03439	4.8
57.07056	2.8
61.02918	3.4
62.62013	2.2
67.05500	14.1
69.03423	12.0
69.07071	28.3
70.38979	5.4
71.04989	3.7
71.08636	2.4
73.02872	2.5
79.05490	7.7
81.03415	7.3
81.07056	43.9
83.04994	2.5
83.08607	9.4
84.08150	6.4
84.18526	2.0
85.02906	14.9
85.06546	6.3
85.58244	2.1
87.00825	5.1
89.89510	2.2
91.03943	4.5
91.05473	6.5
93.07046	15.0
95.04958	10.9
95.08048	4.0
95.08607	40.4
97.02888	7.1
97.06527	6.1
97.10171	100.0
97.89874	2.3
99.04465	2.2
99.08111	3.7
101.06056	2.2
105.07040	16.8
107.08612	19.8
109.02876	5.7
109.06522	5.3
109.10161	25.1
111.08078	3.0
111.11732	2.4
115.74593	1.9
119.08579	13.5
119.83623	2.0
121.10127	13.5
123.08091	2.5
123.11712	21.9
125.09616	17.9
127.03924	8.8
131.08559	6.3
133.10106	7.3
135.08032	2.2
135.11690	6.3
137.05971	3.7
137.09615	2.5
139.11192	4.8
141.09152	2.3
143.10681	33.7
145.04959	4.9
145.10114	7.5
147.11755	11.7
149.13266	6.4
151.14856	7.7
153.12770	3.1
157.10109	2.6
159.11674	5.8
161.05972	2.8
161.13263	6.5
163.11192	2.3
165.12744	5.3
167.14362	2.5
171.10124	7.1
173.13324	4.7
175.14897	2.5
177.12746	3.9
177.16273	2.5
179.14255	5.6
185.04234	4.0
185.13240	2.1
187.14764	5.7
189.11211	11.9
191.06824	2.1
195.13904	2.9
201.16386	2.2
233.15479	3.3
251.16428	4.6
257.22607	2.9
275.23636	3.7
285.22034	2.8
289.25250	3.8
291.23145	6.2
302.63812	2.6
303.23227	18.6
309.24246	27.0
321.24243	85.5
335.58133	2.1
339.25314	28.6
375.21307	4.7
424.00195	2.5
537.26599	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	537.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
54.09374	0.8
55.01855	1.5
55.05495	0.9
55.95803	0.9
56.05023	1.4
56.96552	1.4
57.03433	1.9
61.02911	1.8
61.45370	0.9
65.03924	4.4
67.05509	1.9
67.13448	0.8
69.03426	4.1
70.06587	12.1
71.04967	1.0
71.56600	1.3
72.08157	1.5
73.02908	1.4
76.02239	1.0
78.77385	0.9
79.05476	1.7
81.03413	9.4
81.07048	1.7
82.07445	0.8
84.04490	3.7
84.08150	8.7
85.02911	9.6
85.08434	0.8
86.09677	1.2
88.03986	1.1
89.03928	1.0
91.03965	1.2
91.05466	3.8
92.04983	2.0
93.07034	3.2
94.06554	1.6
95.04923	2.1
95.07334	1.1
95.08633	1.2
96.08123	3.0
97.02892	4.0
97.06527	3.2
98.97560	2.9
102.05563	1.2
103.05476	1.9
105.07026	2.8
107.04984	1.1
107.08594	1.1
108.08115	7.1
109.02902	1.6
109.10147	1.5
110.09681	6.7
116.04957	3.2
116.98541	1.2
119.04900	1.1
119.08611	1.0
120.04477	7.3
120.08093	3.6
121.06503	1.3
122.06044	6.0
124.07582	1.6
127.03905	2.7
129.06990	2.1
129.10185	2.0
131.00153	1.4
131.04919	1.3
131.08578	1.3
136.07581	9.2
137.05977	17.1
138.05409	1.3
138.08194	1.2
138.09100	7.2
144.04474	7.1
145.05070	2.3
145.06425	2.0
146.06026	1.5
148.03931	88.9
148.07535	2.8
149.01161	1.0
151.03914	13.2
151.05017	1.5
152.07050	1.1
153.05447	1.2
157.06425	1.3
158.99658	1.8
161.05986	1.8
162.05460	5.7
163.07483	1.1
166.04996	17.9
166.08641	21.1
171.11676	0.9
172.03934	42.5
175.07503	1.0
179.04808	1.9
187.07635	1.2
189.09105	1.7
190.04985	11.3
203.07013	2.4
204.06558	100.0
205.06964	1.1
205.08588	7.7
216.35973	0.9
217.08446	1.3
221.08240	1.2
222.07585	1.8
223.01848	1.1
224.08015	1.4
227.11775	2.3
228.10168	1.0
233.08015	2.8
233.11694	1.8
250.14326	1.2
252.09399	1.1
255.11290	17.0
273.12360	13.9
275.13776	1.0
283.10739	18.0
286.08176	1.9
297.11441	1.2
301.11829	64.2
302.12061	0.9
305.10562	3.5
307.09857	1.2
310.58652	1.1
319.12851	2.0
321.24554	0.9
325.11755	2.4
327.12119	1.0
329.15021	2.1
334.09424	1.3
339.12445	3.2
343.12891	59.2
357.14331	27.5
375.14844	6.6
409.53574	1.0
501.18073	1.6
519.19507	2.7
534.09015	1.1
537.17377	1.6
537.24121	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	536.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43862	0.1
55.05497	0.2
56.05041	0.5
58.06628	0.4
59.07384	0.1
60.08164	6.1
67.05508	0.6
69.25732	0.5
69.26154	0.4
71.07373	2.7
79.05489	0.3
81.07066	0.5
86.09706	29.1
91.05487	0.2
93.07037	0.2
95.08620	0.5
98.20792	0.2
98.98464	2.6
104.10746	4.3
107.08600	0.1
125.00005	19.9
131.08589	0.2
134.02025	0.1
135.11711	0.1
159.16161	0.1
166.02644	0.1
166.06313	0.1
184.07339	100.0
185.07677	0.2
208.01471	0.1
258.11111	0.2
335.25781	0.2
365.15466	0.1
500.31345	1.0
518.32458	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	536.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88960	0.1
55.05511	0.2
56.03785	0.1
56.04497	0.1
56.05033	0.6
56.96561	0.1
57.03430	0.1
58.06635	0.5
59.07407	0.2
60.08164	6.8
61.02924	0.1
67.05505	0.8
69.03420	0.1
69.07067	0.2
69.21569	0.2
69.21994	0.5
70.06591	0.1
71.07372	3.1
76.87569	0.1
78.45747	0.1
79.05499	0.4
81.07063	0.7
83.08633	0.1
86.09705	31.7
91.05490	0.3
93.07046	0.4
94.29732	0.1
95.08614	0.5
97.02883	0.1
97.06538	0.1
97.46355	0.1
98.20804	0.2
98.21459	0.2
98.49578	0.1
98.97574	0.1
98.97714	0.2
98.98464	3.1
104.10745	5.3
105.07036	0.2
107.08586	0.2
109.10149	0.1
112.99132	0.1
119.08585	0.1
121.10154	0.1
125.00005	21.4
131.00191	0.2
131.08607	0.1
133.10181	0.1
137.05992	0.1
145.04935	0.1
149.14890	0.1
166.02675	0.1
166.06287	0.1
178.50806	0.1
184.07339	100.0
185.07616	0.2
242.63811	0.1
258.10989	0.2
284.12723	0.2
299.06131	0.1
335.25745	0.1
365.15405	1.1
365.65375	0.1
500.31335	1.0
510.17041	0.1
518.32422	8.1
536.29956	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	536.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49509	4.7
55.01868	6.9
55.05512	22.6
64.85226	4.0
67.05500	54.4
69.03422	9.8
69.07060	18.0
71.56761	5.2
73.99614	3.7
78.19788	4.2
79.05489	35.1
80.47373	3.6
81.07057	52.1
83.04995	11.6
83.08618	13.8
84.22554	4.0
85.06506	5.6
91.05471	46.4
93.07034	44.1
95.04960	8.8
95.08594	18.9
97.06513	11.5
97.10168	6.2
105.07061	29.1
107.04955	9.6
107.08595	33.3
109.10153	44.2
111.08086	17.7
116.69807	4.2
117.07069	8.9
119.08572	9.6
121.10135	11.9
123.08070	4.4
123.11694	14.7
125.09621	5.6
129.06987	6.5
131.08548	9.3
133.10139	73.3
135.11678	7.9
143.08557	5.9
151.11188	44.6
156.38937	4.5
157.10130	6.1
169.10085	6.0
171.11674	6.5
183.13857	13.8
278.45126	4.3
299.06165	8.9
323.84207	4.5
327.23315	5.5
331.22812	6.3
345.24252	9.2
377.27026	5.5
393.43835	4.3
409.31113	4.3
437.30945	8.1
451.32480	5.3
469.33017	19.2
487.34158	14.7
501.35745	100.0
519.36627	16.2
536.50262	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	536.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.2
53.03936	1.3
55.01864	0.6
55.05513	1.0
56.03077	0.6
56.96571	0.9
61.02933	1.0
65.03948	0.5
67.05505	2.1
68.73894	0.5
68.99816	1.0
69.03424	3.3
69.07072	1.6
70.06598	0.6
71.05000	0.6
73.02921	0.9
78.03454	7.6
79.01841	0.9
79.05497	2.6
80.05003	1.8
81.03416	6.8
81.07066	4.2
83.04984	0.8
83.08585	0.7
84.08116	0.7
85.02908	2.5
91.03952	0.9
91.05479	1.6
93.07064	4.0
95.01333	8.2
95.04950	0.7
95.08615	1.8
96.04481	2.5
96.34216	0.5
97.02895	13.2
97.03515	0.8
97.06511	1.4
98.97585	2.3
99.04483	0.7
105.07034	3.0
106.02912	25.1
107.08605	3.0
109.06503	1.2
109.10130	1.3
111.08092	0.9
111.44514	0.5
112.27753	0.6
116.98643	0.9
117.05829	0.5
117.07098	0.5
119.04970	0.6
119.08581	2.0
121.06518	1.1
121.10121	2.2
123.00792	58.0
123.04383	0.9
124.03955	100.0
125.02351	58.5
127.03850	0.6
131.00182	0.6
133.10123	0.8
135.11684	1.5
137.06020	0.8
141.01828	31.9
145.04997	0.7
145.10097	2.2
147.11674	1.3
149.09685	0.9
158.99605	0.6
159.02834	0.6
163.06213	0.6
163.07526	0.6
163.11195	3.2
167.10649	0.8
169.01321	98.6
169.08601	1.1
170.01688	0.5
175.07481	0.9
187.02472	0.8
191.10626	1.0
191.14282	0.9
209.11682	0.6
227.12709	1.3
230.28181	0.5
246.04022	5.6
270.07660	1.1
287.05499	4.6
288.05838	6.7
288.08871	0.8
292.04520	46.2
299.06033	0.7
310.05435	3.6
317.27457	0.5
324.61691	1.2
353.13666	1.8
409.15411	1.3
474.17432	1.3
492.28375	1.5
518.17712	1.7
518.30823	2.0
536.17841	3.8
536.24139	0.9
536.30896	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87658	0.6
56.05032	1.0
58.06596	1.4
59.28385	0.6
60.08163	17.4
66.80711	0.7
67.05505	3.0
68.32378	0.5
69.07048	0.8
69.89044	1.8
70.31359	0.6
71.07379	5.9
79.05489	1.4
81.07051	1.7
86.09704	53.6
91.05477	1.4
93.07030	2.0
95.08598	1.8
98.21208	1.6
98.98476	4.0
104.10743	91.4
121.10112	0.6
123.71008	0.5
125.00004	29.1
142.03714	0.6
145.49541	0.5
163.01537	0.5
178.25233	0.6
184.07339	100.0
185.07684	0.7
186.07771	0.8
224.52707	0.5
258.10965	0.8
500.31354	8.5
518.32416	54.9
519.32587	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1088
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
55.01856	0.1
55.05490	0.1
58.67735	0.0
61.02906	0.1
67.01871	0.4
67.05476	0.1
68.99792	0.4
69.03399	0.2
69.07056	0.1
70.06565	0.1
70.95274	0.1
71.04996	0.1
72.08156	0.1
79.05463	0.1
79.71859	0.1
81.03385	0.2
84.19038	0.1
85.02868	0.2
86.09664	0.1
87.00808	0.1
89.03899	0.1
91.05446	0.1
93.07046	0.1
95.04947	0.1
95.08595	0.1
97.02877	0.1
99.04437	0.1
105.06992	0.1
107.04935	0.1
109.02873	0.1
109.10093	0.1
111.00775	0.1
117.03375	0.2
121.10107	0.1
127.03912	0.1
129.01851	0.1
133.10115	0.1
135.04427	1.5
137.02354	0.6
137.05981	0.1
151.07585	0.1
151.65903	0.1
153.01834	4.5
159.02960	0.1
161.02396	0.5
161.05916	0.1
171.02892	0.3
179.03409	0.3
184.07430	0.1
185.05975	0.1
199.03799	0.1
213.05464	0.1
219.06596	0.1
231.06586	0.1
241.04970	0.5
245.04590	0.1
259.06201	0.1
263.05530	0.1
269.04303	0.4
287.05505	100.0
288.05783	0.4
373.12860	0.2
398.23175	0.1
435.23019	0.1
449.10840	1.4
490.27737	0.3
491.11859	0.1
491.27646	0.1
517.09821	0.2
534.30444	0.2
535.10889	3.2
535.23126	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	535.4148
Annotation	Toxicol B
Peak:m/z	Relative Intensity
50.27256	0.3
52.36075	0.3
53.03943	0.7
53.53300	0.3
55.01868	0.9
55.05514	10.5
57.03435	0.8
57.07069	1.3
59.04998	0.7
63.93753	0.3
65.03920	0.4
67.05508	19.8
69.07072	7.6
70.00814	0.7
70.01196	0.7
71.04989	1.2
71.08629	0.4
79.05495	8.0
81.07063	15.9
83.04987	0.8
83.08622	5.3
85.06542	0.8
91.05486	5.0
93.07050	7.4
95.08614	13.0
97.06538	1.3
97.10176	3.8
99.08095	0.8
105.07036	6.4
107.08595	5.3
109.06519	0.8
109.10170	8.8
111.08031	0.8
111.11741	0.4
113.09662	0.3
115.05417	0.5
117.07017	3.2
119.08582	5.5
121.10138	4.1
123.08059	1.0
123.11732	2.6
125.09638	1.4
128.06235	1.7
129.07018	5.7
131.08578	6.8
133.10139	4.4
135.11708	2.1
137.09659	0.5
137.13261	1.5
141.05945	0.7
141.06987	5.8
142.07796	2.0
143.08574	7.7
145.10132	7.1
147.11667	2.8
149.13278	1.4
153.07010	2.2
154.07803	1.5
155.08554	13.0
156.09377	1.2
157.10150	8.1
159.11696	6.3
161.13248	1.4
163.11121	0.4
163.14784	0.4
165.06981	2.0
166.07800	1.5
167.08580	6.9
168.09320	2.3
169.10135	20.1
170.10925	0.4
171.11688	7.4
173.13242	3.3
175.14857	1.1
179.08557	2.8
180.09370	1.2
181.10127	11.8
182.10893	1.9
182.17238	0.4
183.11703	18.7
184.12399	0.6
185.09718	0.5
185.13260	6.7
187.14816	1.9
189.16435	0.6
191.08488	0.5
192.09373	0.5
193.10147	4.4
194.10974	1.3
195.09921	0.7
195.11713	12.1
196.12524	1.3
197.11441	0.8
197.13271	14.2
198.13966	0.5
199.14833	4.7
201.16394	0.9
205.10130	1.1
207.11717	4.3
207.13551	0.6
208.12430	1.0
209.13263	12.6
210.14136	0.9
211.14828	9.8
213.16383	2.0
219.11713	1.3
221.13269	4.2
223.14836	9.0
223.16994	0.7
224.15518	0.5
225.16402	8.9
227.17938	1.0
233.13319	1.0
234.14005	0.5
235.14816	3.9
235.20601	0.4
237.16396	6.5
237.18584	0.6
239.17964	4.8
241.19595	0.6
247.14857	1.5
249.16399	3.0
251.17953	3.8
251.20171	0.5
253.19525	3.5
255.21225	0.4
261.16449	1.0
263.17880	2.4
265.15845	0.4
265.19479	2.6
265.21945	0.6
267.21039	1.9
269.18887	0.6
269.22379	0.3
271.20526	0.5
275.17938	1.0
277.19540	1.5
279.17865	0.6
279.21140	1.9
281.19220	0.5
281.22650	1.0
283.20605	0.5
285.22192	0.4
289.19333	0.5
291.21002	1.0
293.19226	0.7
293.22623	1.0
295.20911	0.7
295.24210	0.7
297.18695	0.7
297.22101	0.9
303.20978	0.6
305.19537	0.5
305.22748	1.3
307.20685	1.5
307.24069	0.7
309.18573	0.5
309.22055	0.8
309.25772	0.5
311.20068	1.2
311.23676	0.8
313.21692	0.6
313.25049	0.4
317.22760	0.7
319.20795	0.5
319.24261	0.9
321.22180	3.6
323.23706	1.5
325.21573	0.9
325.25204	0.5
327.23294	0.7
333.22256	0.8
333.25961	0.8
335.23685	3.0
337.25116	2.1
339.23196	2.5
341.24313	0.4
347.23657	0.8
347.27512	0.5
349.25214	2.7
351.23273	0.7
351.26929	2.6
353.24750	1.1
355.26535	0.5
361.25323	0.9
361.29199	0.6
363.26749	2.0
365.24704	0.7
365.28497	2.5
367.26370	1.7
369.28003	0.4
375.30688	0.8
377.28412	1.9
379.25943	0.8
379.30157	1.2
381.27878	1.5
391.30051	2.3
393.31857	1.6
395.29492	1.1
405.31775	1.3
407.33484	0.5
409.31213	4.0
415.30008	0.7
417.31769	0.4
419.28708	0.4
421.31116	0.6
423.32605	1.6
429.31686	1.5
433.30804	0.8
435.32803	0.7
437.34418	0.8
443.33325	0.6
447.32574	5.4
457.34668	0.5
461.33984	1.7
465.33783	1.3
475.35590	1.1
479.35754	0.5
493.37024	0.8
499.39371	7.1
517.40454	59.4
518.40674	0.5
535.28387	2.4
535.41479	100.0
536.42157	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
55.05299	1.8
55.05515	16.9
57.03442	2.9
57.07084	8.9
57.68928	1.6
60.08164	1.8
61.02921	5.0
67.05508	65.6
69.03436	2.3
69.07075	24.6
71.05009	2.4
71.08626	6.6
71.56569	2.4
79.05495	20.5
81.07061	91.2
83.04983	2.5
83.08621	22.0
85.02910	5.5
85.06524	3.2
85.10204	2.4
86.09692	8.5
91.03960	2.2
91.05492	17.2
93.07044	24.3
95.04958	1.5
95.08607	72.7
97.02866	2.6
97.06540	9.0
97.10176	13.7
99.08097	4.1
104.10747	4.7
105.07034	12.2
107.08589	17.4
109.06577	1.6
109.10165	40.7
111.08058	5.5
111.11708	3.9
113.09636	2.6
116.65504	1.7
119.08587	12.8
121.10137	21.5
123.08064	1.7
123.11708	19.0
124.99973	4.2
125.09679	3.0
127.11228	2.5
133.10138	17.0
135.11726	13.0
137.13248	9.6
141.12759	3.6
147.11697	11.1
149.13245	10.5
151.14838	7.8
153.57915	1.8
155.14326	4.0
161.13280	14.4
163.14778	11.9
165.12735	2.8
165.16386	7.0
175.14813	8.9
177.16428	2.0
179.14294	2.0
179.17911	8.4
184.07333	22.4
189.16362	4.6
203.17987	2.4
206.32887	1.7
245.22658	69.8
263.23712	100.0
299.67188	1.7
302.17349	2.9
337.27396	48.7
355.28293	6.2
534.32849	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	534.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.1
55.69053	0.1
56.05030	0.5
58.06635	0.6
59.07137	0.1
59.07413	0.2
60.08165	6.1
67.05517	0.2
69.07079	0.1
69.26113	0.3
69.26528	0.5
71.07372	2.8
79.05498	0.4
86.09705	30.1
91.05493	0.2
93.07044	0.4
95.08582	0.1
98.98466	2.8
98.99129	0.1
104.10050	0.2
104.10745	4.0
105.07023	0.2
107.08635	0.2
114.26316	0.1
121.10096	0.1
125.00003	19.8
135.35686	0.1
138.19832	0.1
143.01082	0.1
161.56404	0.1
184.07339	100.0
185.07587	0.2
205.19568	0.1
258.11169	0.3
269.21848	0.1
362.32520	0.1
403.34631	0.1
498.29797	0.8
516.30859	6.8
534.31921	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
56.05035	1.5
57.03440	0.4
58.06581	1.5
59.07381	0.3
59.69936	0.2
60.08163	17.0
67.05495	1.2
69.07064	0.7
71.07375	7.3
79.05489	1.8
81.07043	1.1
84.12755	0.2
86.09705	50.1
91.05482	1.8
93.07041	1.8
95.04953	0.4
95.08604	0.9
98.98466	4.0
104.10743	100.0
105.07030	1.5
107.08611	0.8
109.06514	0.2
110.99233	0.2
117.07028	0.4
119.08611	0.9
121.10153	0.5
125.00004	28.3
131.08540	0.5
133.10150	0.6
143.01068	0.2
145.10115	0.3
147.11710	0.4
149.13254	0.2
163.01538	0.4
166.06357	0.2
176.57343	0.2
181.02637	0.2
184.07338	90.9
185.07668	0.5
224.89438	0.2
246.11603	0.2
258.11099	0.6
333.24268	0.4
424.84619	0.2
455.48886	0.2
498.22495	0.4
498.29797	6.8
516.30853	46.9
517.30981	0.5
534.31134	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28944	0.1
55.05479	0.1
56.05042	0.6
58.06628	0.4
59.07393	0.1
60.08165	6.5
67.05506	0.2
70.06611	0.1
71.07377	3.0
71.08624	0.2
71.37167	0.1
79.05489	0.2
81.07066	0.3
86.09706	30.9
91.05473	0.2
93.07034	0.2
95.08599	0.1
98.21525	0.2
98.98468	3.2
98.99126	0.2
99.08064	0.1
104.10745	4.7
105.06999	0.1
119.08624	0.1
121.10176	0.1
125.00005	21.5
133.10097	0.1
143.01065	0.1
179.14345	0.2
184.07343	100.0
185.07693	0.2
258.11020	0.3
302.49924	0.1
345.64716	0.1
351.25235	0.2
358.97003	0.1
516.30701	1.1
525.78162	0.1
534.31927	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	534.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70156	0.2
53.79649	0.2
55.05502	0.5
56.05044	1.3
57.03431	0.2
58.06570	1.2
59.07377	0.3
59.53928	0.2
60.08165	16.6
67.05513	1.2
69.07056	0.4
69.25546	0.5
69.25941	1.7
70.06596	0.2
71.07375	6.3
71.08622	1.4
72.08119	0.3
73.57532	0.2
76.41743	0.2
79.05497	1.0
81.03388	0.2
81.07066	1.0
83.04971	0.4
83.44221	0.2
86.09706	49.1
91.05467	0.6
93.07057	1.2
95.05006	0.4
95.08604	0.7
97.06519	0.4
98.20956	0.9
98.76035	0.2
98.98467	3.8
99.08098	0.5
104.10744	100.0
105.07034	0.5
105.11063	0.2
107.04989	0.3
107.08587	0.6
109.10168	0.6
119.08635	0.5
121.10155	0.5
125.00006	25.9
129.40413	0.2
133.10091	0.2
135.11711	0.5
143.01118	0.3
145.10115	0.2
151.11179	0.6
161.13251	0.2
163.01605	0.4
164.99287	0.2
179.14365	1.1
184.07341	83.2
192.30183	0.2
227.34534	0.2
258.11087	0.8
264.13324	0.2
351.25302	0.5
381.51147	0.2
516.30823	5.5
534.31934	45.9
535.31927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09464	3.2
53.03939	5.4
55.01876	14.5
55.05518	46.3
56.65583	3.0
57.03431	7.3
64.08668	2.4
67.05504	77.0
67.38234	2.8
69.03411	5.0
69.07069	38.7
71.04972	6.0
71.29893	5.5
79.05492	65.4
81.03413	6.5
81.07056	100.0
83.04983	7.8
83.08614	18.3
84.04680	3.3
85.06506	7.8
88.24599	2.7
91.05485	68.5
93.07044	65.1
95.04954	13.1
95.08607	75.9
97.06539	22.5
97.10181	14.6
99.08081	3.7
105.07041	67.0
107.04951	14.2
107.08595	39.6
109.06519	12.2
109.10176	26.9
111.08069	7.3
117.07035	36.1
119.08583	54.3
121.06540	6.5
121.10146	33.4
123.08052	9.8
123.11698	12.1
125.09599	9.4
128.06187	7.8
129.06995	18.2
131.08578	50.3
133.10144	37.5
135.08022	12.5
135.11696	17.9
137.09564	7.2
137.13269	4.0
141.06975	8.2
142.07771	5.4
143.08560	24.9
145.10138	46.1
147.08011	5.5
147.11684	32.4
149.09608	9.4
149.13242	10.6
151.11143	6.3
155.08546	16.3
156.09254	3.7
157.10133	27.8
159.11674	33.3
161.09634	4.3
161.13254	8.1
163.11230	4.0
165.12752	13.9
167.08598	4.3
168.09344	5.6
169.10153	19.6
171.07918	2.9
171.11702	24.2
173.09634	5.4
173.11942	3.1
173.13243	15.8
174.15373	3.0
175.11151	8.2
177.12749	4.5
181.10107	8.2
183.11693	24.6
185.09531	3.2
185.13278	12.9
187.14856	5.5
191.14365	3.3
193.10043	3.5
195.11702	11.2
197.13281	12.8
199.14871	10.9
201.12709	6.7
203.12572	3.4
209.13245	9.5
211.14841	7.1
213.16444	3.5
217.15820	3.2
219.17351	3.3
221.13319	3.8
223.14977	8.1
225.16479	5.4
227.14307	3.6
227.17876	3.7
231.91411	3.2
239.17932	5.1
249.18681	5.4
257.18790	4.0
261.22058	4.5
262.22617	6.0
263.20206	3.6
265.21484	3.4
275.20135	14.5
277.17978	12.2
277.21680	10.2
285.18686	4.9
289.21609	9.0
303.23196	3.9
307.22903	7.2
311.19901	3.3
313.21762	3.8
315.23245	6.7
317.21429	3.2
321.21875	6.3
325.21442	4.5
327.23102	5.6
339.23087	3.8
351.22964	3.5
403.28314	5.7
405.31558	3.9
415.29797	10.8
423.32394	4.6
429.29761	5.3
433.30994	30.3
443.31378	4.0
447.32523	4.6
451.32019	28.4
465.33862	17.9
469.33020	8.5
471.34497	4.9
483.34650	39.7
487.37958	10.0
497.36377	32.1
501.35400	13.1
515.30365	4.7
515.37360	52.7
520.00397	3.4
533.38367	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	533.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
55.01873	33.2
55.05275	3.7
55.05511	58.3
57.03433	7.5
57.07072	3.5
58.64463	2.7
62.62460	3.6
65.03927	3.7
67.05506	91.9
69.03429	3.8
69.06718	3.8
69.07066	38.3
69.94820	7.6
69.95223	5.4
71.04975	6.8
79.05083	2.9
79.05497	62.1
81.03405	5.9
81.06590	5.1
81.07057	100.0
83.04977	10.6
83.08623	29.1
85.06523	4.4
91.05479	52.2
93.07046	63.2
95.04984	16.0
95.08609	68.2
96.12523	3.1
97.06535	28.4
97.10171	30.3
99.08093	3.7
105.07035	61.3
107.04937	9.8
107.08588	50.0
108.84825	3.6
109.06519	9.8
109.10159	26.4
111.08072	8.3
115.05437	3.5
117.07014	29.6
119.08593	46.7
121.06479	8.3
121.10146	24.7
123.08057	12.6
123.11691	10.1
123.37863	3.2
125.09607	23.4
128.06154	6.4
129.07014	21.4
131.08577	44.0
133.06487	6.6
133.10124	33.3
135.08014	11.9
135.11685	19.8
137.09648	6.9
139.11197	5.5
141.06993	7.7
142.07762	4.9
143.08554	18.3
145.06529	4.2
145.10127	40.5
147.08043	7.9
147.11684	37.0
149.09602	14.5
149.13225	7.2
153.09099	4.8
155.08511	11.1
157.10149	20.3
159.08037	4.4
159.11691	22.2
161.09650	3.4
161.13266	7.7
163.11131	6.6
165.12769	18.6
167.08597	4.7
167.10693	3.0
169.10112	12.8
171.08078	4.5
171.11684	12.6
173.11826	4.2
173.13220	14.8
175.11147	3.6
177.07187	3.1
177.12781	4.7
181.10124	6.8
183.11719	15.2
185.13228	9.8
187.11252	4.1
187.14806	4.4
189.12674	6.1
195.11697	11.4
195.13528	3.0
197.13281	7.5
199.14815	6.1
203.12746	17.2
205.12126	3.2
209.13211	3.4
211.14848	4.6
213.16417	6.9
215.14359	4.0
223.14833	5.5
235.16974	3.4
239.14273	4.9
239.17938	6.1
247.20293	3.0
261.22089	5.5
262.22446	8.3
275.20038	12.0
283.20471	4.7
291.23145	6.5
301.21664	5.7
305.21265	4.4
315.23135	13.5
321.22006	6.2
327.23123	3.7
333.24023	6.0
339.23312	6.1
354.27060	5.3
357.24164	4.8
371.25845	4.4
389.26837	7.4
403.28458	9.0
415.29773	4.3
421.29794	4.5
423.32404	4.6
433.30618	14.5
445.29532	3.6
451.31982	25.6
465.33420	8.1
469.32993	12.0
483.34790	38.2
497.36090	10.9
501.35696	25.9
515.37494	34.6
533.38306	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	533.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.9
55.01876	12.7
55.05271	2.9
55.05512	42.8
55.21904	1.9
57.03426	6.5
57.07069	4.4
59.04995	2.0
65.03923	4.9
67.05507	94.3
69.03428	3.3
69.06720	3.8
69.07067	47.8
71.04987	7.2
71.56686	3.0
73.06565	3.7
77.03938	2.4
79.05492	62.1
79.18352	2.2
81.03412	3.3
81.07059	100.0
83.04980	10.8
83.08620	26.5
85.06528	9.6
89.87894	2.0
90.06558	2.1
91.05486	69.5
93.07051	68.7
95.04958	12.9
95.08604	74.4
95.32819	2.2
97.06533	22.9
97.10146	11.6
99.08086	5.2
103.05446	2.4
105.07031	76.9
107.04963	18.6
107.08593	46.4
109.06512	15.2
109.10162	35.3
111.04464	2.2
111.08083	8.6
113.09657	2.2
115.05452	5.1
117.07016	38.7
119.08582	61.6
121.06496	8.7
121.10149	37.2
123.08080	11.3
123.11695	10.0
125.09633	8.1
128.06207	6.9
129.07001	23.3
130.07791	2.8
131.08569	52.9
133.06468	7.4
133.07472	2.3
133.10127	45.2
135.08025	11.8
135.11679	18.4
137.09572	5.9
137.13239	3.6
141.06967	8.4
142.07797	6.0
143.08568	34.3
145.06487	4.4
145.10129	41.6
147.08029	6.8
147.11678	33.3
149.09608	12.6
149.13268	8.4
149.74657	2.1
151.11192	7.5
155.08562	18.9
155.10645	2.6
156.09319	3.4
157.10132	33.2
159.08076	4.6
159.11710	32.3
161.09616	9.8
161.13237	7.8
163.11148	6.2
163.14789	2.5
165.12741	10.9
167.08577	5.3
168.09288	3.1
169.10129	22.6
171.11703	26.0
173.09639	3.4
173.13219	15.3
175.11226	7.4
175.14861	3.9
177.12675	3.6
179.08586	4.5
181.10060	10.8
183.11685	22.2
185.13260	17.7
187.11136	4.8
187.14833	5.3
189.12827	2.7
191.14351	2.7
193.12172	2.3
195.11729	14.1
195.13354	3.0
197.13264	15.8
197.15190	3.9
199.11232	3.9
199.14809	9.3
201.12711	3.8
201.16409	3.4
203.14319	4.3
209.13297	11.0
211.14815	6.5
215.14355	2.5
215.17870	2.4
217.15918	5.5
221.13220	4.4
223.14804	6.8
225.16380	3.8
235.14783	3.5
235.16888	2.9
239.17943	4.7
241.15813	3.9
249.18390	6.7
257.19141	3.9
263.20117	6.9
269.19165	2.9
273.18649	2.8
275.20084	14.5
277.17902	10.1
277.21686	6.5
281.19012	2.7
283.20517	2.3
285.18491	3.6
289.21634	9.9
291.19458	2.7
291.23233	6.7
295.20511	4.8
297.22174	2.5
299.20132	3.9
301.21762	5.6
303.23291	3.7
305.21069	2.5
307.22842	2.9
309.22137	3.4
313.21637	7.2
315.23154	6.7
321.22040	4.5
325.21399	3.1
327.23151	5.4
329.24677	4.0
339.23230	5.2
341.24783	3.3
353.24771	5.4
355.26288	3.0
379.26251	3.1
383.25879	2.3
387.29553	2.5
397.27527	2.2
403.28311	3.3
405.31281	3.8
411.28439	3.1
415.29800	9.9
417.29800	3.7
423.32465	9.7
427.09674	2.3
429.29907	5.1
433.31015	29.6
443.31387	5.0
447.32114	2.8
451.32138	25.1
455.35083	4.6
457.33020	3.1
465.33716	19.9
469.33017	5.8
471.35049	4.5
473.36368	3.2
483.34772	45.5
487.37912	9.9
489.35925	3.3
497.36298	35.2
501.35785	15.3
515.30383	4.0
515.37354	52.6
533.38281	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	533.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73457	0.2
52.87868	0.2
55.05479	0.3
56.96525	0.2
57.03417	0.4
61.02889	0.7
67.05479	0.3
69.03432	0.4
69.07034	0.5
69.79349	1.2
73.02883	0.8
79.05453	0.6
81.03413	0.4
81.07031	0.4
85.02915	1.0
91.03919	0.6
91.05457	0.5
93.07009	0.5
95.08581	0.4
97.02874	0.3
97.06493	0.6
98.97581	0.3
99.08021	0.2
104.25760	0.2
105.06974	0.6
110.22150	0.2
112.93906	0.2
119.08584	0.2
127.03904	0.4
133.10135	0.3
135.11719	0.2
137.05908	0.3
140.53317	0.2
140.85980	0.2
155.03111	0.2
161.06012	0.2
177.08948	0.2
189.06056	0.3
203.05275	0.3
229.06903	0.2
258.33502	0.2
275.07373	0.6
302.04239	0.4
313.16208	2.4
317.08353	1.3
325.39505	0.3
333.07870	0.4
335.09546	3.5
361.16486	0.2
371.11169	0.5
401.21249	1.0
442.76779	0.3
445.13840	0.3
445.20456	35.2
533.25696	100.0
534.26025	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01868	1.7
55.05504	8.0
56.05026	3.0
56.31004	1.5
57.07063	4.5
58.06599	3.9
60.04523	65.1
67.05497	11.0
69.03429	2.0
69.07069	11.0
70.06580	2.1
71.00220	1.6
71.00552	2.7
71.04989	7.7
71.08620	1.7
72.04527	1.8
74.06063	4.1
79.05487	10.0
80.05008	3.9
81.03414	12.4
81.07059	15.3
82.06572	1.6
83.08604	5.7
83.90965	1.4
85.06568	6.3
87.04487	2.4
89.06040	1.4
91.05473	4.2
93.07065	8.6
94.06558	4.7
95.04957	2.9
95.08611	15.5
96.08105	2.0
97.06527	7.1
97.10169	2.9
98.06037	2.7
98.09694	1.8
99.08091	4.0
105.07030	7.0
109.10133	1.9
110.09670	4.1
111.08072	5.4
112.11263	2.1
117.10637	1.5
122.09668	11.5
123.08060	20.7
128.10690	13.1
140.10698	88.3
141.09120	8.6
158.10678	1.6
158.11752	10.6
176.12814	9.8
194.13933	2.7
228.31618	1.3
296.81067	1.4
356.35141	5.3
478.42609	5.9
496.43585	33.4
514.44678	100.0
532.39478	2.3
532.45630	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	533.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87946	0.1
53.03946	0.2
53.43432	0.1
55.01882	0.3
55.05516	0.6
56.96565	0.1
57.03434	0.7
57.07072	0.1
58.10248	0.1
61.02925	0.9
65.50124	0.1
67.05505	0.6
69.03429	2.3
69.07065	0.9
70.06603	0.2
71.04986	0.5
73.02915	0.3
79.05501	0.5
81.03405	1.1
81.07056	1.3
83.04990	0.5
83.08635	0.2
85.02901	6.4
86.09718	0.3
87.00840	0.1
87.04476	0.3
91.03956	0.3
91.05481	0.9
93.07034	0.6
95.04969	0.7
95.08591	0.9
97.02888	2.6
97.06512	0.9
98.97603	0.3
99.04459	0.5
104.10747	0.2
105.07037	0.9
107.08604	0.9
109.02865	0.7
109.06520	0.4
109.10165	0.4
111.04450	0.3
117.07012	0.2
119.04922	0.2
119.08574	1.1
121.06527	0.5
121.10160	0.5
122.07271	0.2
123.08070	1.4
123.11725	0.2
127.03915	2.0
127.14650	0.1
129.07001	0.3
131.08539	0.7
133.06509	0.2
133.10130	0.6
135.08040	1.8
135.11710	0.5
137.06001	0.2
137.09602	0.2
139.07539	0.1
141.07050	0.2
143.08542	0.4
145.04968	2.2
145.06033	0.2
145.10101	1.0
147.08076	0.2
147.11687	0.6
149.01237	0.2
149.09656	0.2
149.13225	0.3
151.07489	0.1
153.01814	0.8
157.10117	0.4
159.08055	0.2
159.11641	0.6
161.09607	0.3
161.13332	0.2
163.06035	0.5
165.12759	1.4
167.08466	0.1
169.10106	0.2
171.06519	0.2
171.11722	0.4
173.13257	0.5
175.14868	0.4
176.11989	0.4
183.11792	0.4
184.07286	0.3
185.13239	0.5
187.14763	1.2
189.07507	0.3
189.12822	0.4
191.14301	7.5
193.15889	0.9
197.13399	0.2
199.14821	0.2
201.16408	0.5
203.14354	0.3
205.03752	0.2
207.13896	0.2
209.15355	1.3
229.04994	0.4
245.15550	0.1
257.04434	0.7
258.05237	12.3
259.05981	0.1
271.06003	8.3
286.04706	33.8
287.05331	0.6
301.07043	100.0
301.63062	0.2
302.07410	0.6
302.13742	0.4
305.10648	0.1
316.19064	0.1
353.19513	0.4
371.11230	2.9
371.20569	0.8
381.23572	0.1
433.27423	0.2
451.28745	0.3
469.29672	0.2
479.27673	0.2
497.28674	0.3
515.29626	0.3
533.12952	1.9
533.25854	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	532.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91741	0.5
61.02921	3.0
64.72275	0.6
70.42577	1.7
70.42939	0.6
73.06521	0.5
84.08135	2.6
85.02891	1.1
86.09728	0.5
87.04459	1.1
91.05485	1.5
97.02865	0.7
98.97565	1.5
105.07011	2.0
105.40087	0.5
107.52310	0.5
115.05445	0.7
117.07021	0.5
119.08566	2.0
127.03902	0.5
129.07002	3.2
131.08542	0.6
142.07710	1.2
145.10097	0.9
147.04417	0.7
147.08058	5.0
149.05994	1.0
149.09666	1.0
157.06467	1.9
157.10133	1.4
159.08034	2.3
160.05174	1.2
161.05968	1.8
173.06000	0.7
173.09665	0.7
174.06767	0.7
174.12747	0.8
175.07550	10.8
177.09105	3.9
185.09570	1.8
189.05940	0.6
189.09044	0.9
191.06975	0.6
191.10664	1.5
201.09082	0.7
202.12323	1.9
203.07034	2.0
203.10674	2.7
205.08606	1.4
212.10699	0.6
213.09000	0.9
219.10133	0.8
230.11800	1.9
231.10127	0.7
237.02724	1.1
244.13206	1.0
248.12794	2.1
262.14392	2.9
263.12704	0.7
266.13885	2.3
280.15427	100.0
302.43845	0.6
416.84781	0.6
435.76727	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3684
Annotation	CHEBI:66780
Peak:m/z	Relative Intensity
53.03946	4.7
55.05516	23.2
56.60126	2.9
57.03424	12.4
57.92186	3.0
63.57040	3.3
65.03940	5.0
67.05505	44.7
69.07062	16.8
71.04988	4.5
71.57197	3.1
71.57578	4.3
78.92609	2.8
79.05491	46.4
81.06646	4.3
81.07062	46.9
83.04957	5.4
83.08614	14.0
91.05476	39.1
93.06551	4.7
93.07053	45.4
95.04957	4.8
95.08614	37.7
97.06524	6.7
97.10142	9.6
99.08109	3.5
105.07037	42.1
107.08607	34.7
109.10175	15.1
111.60950	2.9
117.07015	21.3
119.07784	4.2
119.08584	35.9
121.10141	17.6
123.08040	3.9
123.11626	3.4
125.09616	4.1
129.07022	15.5
131.08571	32.2
133.10141	34.7
135.08064	4.6
135.11720	22.6
137.77084	3.9
141.07004	8.3
143.08554	21.2
145.10132	39.4
147.08113	3.4
147.11699	29.2
149.09598	3.7
149.13249	9.5
155.08542	9.5
157.10138	24.5
159.11699	28.7
161.13251	18.9
167.08595	4.8
169.10196	17.0
171.11693	25.8
173.13263	20.3
175.14815	7.1
181.10077	5.1
181.12265	4.7
183.11722	14.0
185.13231	15.4
187.14813	10.3
195.11761	4.3
197.13260	13.4
199.14799	7.2
201.16333	5.5
209.13376	5.0
211.14943	10.0
213.16415	4.3
221.13315	3.3
223.14819	4.2
225.16396	7.5
229.43213	3.3
241.19463	10.9
253.14291	4.6
255.15788	16.7
259.20682	24.2
273.17886	2.9
291.45682	3.4
297.22205	3.5
315.23303	3.6
327.23157	4.8
333.24258	12.9
393.31445	3.6
403.30145	7.1
409.30521	4.1
411.32712	4.2
421.30994	17.7
429.33493	3.2
439.31982	16.3
457.33127	16.8
474.94205	3.2
485.36420	5.8
495.34430	9.1
501.35388	4.0
503.37256	27.8
513.35754	100.0
531.36633	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01857	4.1
55.05270	1.5
55.05513	19.5
56.96570	1.4
57.03428	11.1
57.07061	3.1
61.02645	1.9
61.02926	30.1
65.47834	1.2
67.05505	39.5
68.05844	1.4
69.03432	11.7
69.07069	16.2
71.04990	3.6
71.08633	23.3
71.09013	2.6
71.56783	1.2
73.02922	9.9
79.05490	29.2
81.03423	18.9
81.07056	32.2
82.26022	1.3
83.01324	1.3
83.04984	6.5
83.08615	14.4
85.02908	24.7
85.06535	3.5
86.09689	4.4
91.03951	15.3
91.05476	20.5
93.07043	36.1
95.04955	13.7
95.08620	19.5
97.02899	18.7
97.06567	7.4
97.10170	19.0
99.04466	2.0
99.08092	20.2
101.02357	1.9
101.87437	1.4
104.10755	2.4
105.07027	19.3
107.04905	1.8
107.08589	23.1
109.02868	5.0
109.06515	4.3
109.10150	17.4
111.08061	5.0
115.03939	1.3
117.06993	6.9
119.08582	14.1
121.10139	9.8
123.08045	3.9
123.11707	3.3
124.99960	3.1
125.09633	16.5
127.03894	6.0
129.07024	3.6
131.00099	2.3
131.08543	5.2
133.06473	1.9
133.10136	13.3
135.08044	3.9
135.11702	10.2
137.05928	2.5
137.09618	2.5
139.11150	1.9
143.08557	4.7
143.10626	2.1
145.04936	3.9
145.10106	5.8
147.11644	9.0
149.13257	4.1
151.11172	30.1
152.25751	1.5
153.09123	1.4
153.12718	1.8
157.10136	2.3
159.11668	4.0
161.13246	11.4
163.11192	8.2
163.14850	2.8
165.12743	5.9
171.10168	2.8
171.11681	4.5
173.11736	15.4
173.13245	3.5
175.11244	1.6
175.14842	2.2
177.12801	2.0
179.14311	14.3
184.07368	9.5
185.13214	3.5
189.11244	14.3
189.12781	2.9
199.14752	2.1
203.14282	1.3
207.13794	2.2
208.17422	1.1
218.25513	1.7
224.08005	1.4
227.12769	30.9
229.14334	6.6
231.21077	1.8
236.38066	1.5
241.19461	7.4
245.13846	22.7
253.17917	7.9
259.20587	6.7
269.17438	2.0
277.21619	62.6
292.12491	3.2
292.62378	1.7
295.22717	3.9
301.21564	1.6
313.29083	1.5
351.25275	100.0
353.19397	1.7
368.73624	1.4
369.26379	22.5
389.17743	2.2
393.26437	2.6
439.26950	1.5
488.21066	1.5
531.32135	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	531.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
53.18084	1.1
55.01869	3.0
55.05518	8.1
56.96568	1.3
57.03439	3.5
61.02914	2.9
65.03941	1.0
65.67362	1.1
67.05179	1.8
67.05508	23.8
68.93282	1.0
69.03434	2.2
69.07081	7.6
71.08635	15.7
71.56696	2.0
73.02930	1.2
79.05067	1.8
79.05499	23.0
81.03410	2.7
81.07061	26.8
83.04974	5.0
83.08632	6.5
85.02901	2.7
85.06561	1.5
91.03940	2.3
91.05486	14.6
93.07047	30.0
95.04960	4.6
95.08060	1.4
95.08617	22.5
97.02895	4.2
97.06552	5.5
97.10176	1.8
99.08105	11.1
105.07033	13.0
107.04958	3.4
107.08597	17.9
109.06506	2.7
109.10161	7.7
113.09664	2.0
117.07011	3.2
119.04948	1.0
119.08578	12.0
121.10151	16.9
123.08074	1.9
125.09709	1.6
127.03951	1.6
129.06950	1.7
131.08507	5.0
133.06508	1.5
133.10153	8.7
135.08105	1.0
135.11705	14.5
137.09694	1.8
139.11171	1.2
141.09088	1.3
143.08557	1.6
145.10103	3.3
147.11696	4.0
149.09686	1.5
149.13237	4.8
151.11252	6.0
157.10129	2.7
159.11679	4.1
161.09645	1.1
161.13292	7.0
163.11165	2.1
163.14859	1.4
165.12831	1.4
171.11708	2.1
173.11810	1.4
173.13225	2.0
179.14325	42.1
185.13258	2.0
189.12718	1.9
195.13927	1.5
198.61348	1.0
221.15311	1.2
235.16994	1.5
240.90913	1.1
241.19514	2.5
259.20584	6.6
277.21658	35.6
295.13849	1.6
351.25305	100.0
531.27997	5.4
545.22943	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.05510	6.7
57.03423	5.6
57.07069	1.1
58.74100	1.1
61.02902	3.6
67.05173	1.7
67.05504	20.9
69.03423	2.2
69.07071	7.9
71.04977	2.5
71.08630	15.8
71.56952	1.6
73.02918	1.8
79.05085	1.7
79.05498	18.9
80.62330	1.0
81.03406	4.2
81.07062	21.4
83.04990	5.5
83.05389	1.2
83.08596	3.9
85.02885	3.1
85.06543	2.1
86.09711	1.1
86.20060	1.1
87.12730	1.1
91.03945	2.4
91.05484	15.4
93.07056	28.5
95.04944	3.6
95.08612	16.2
97.02876	4.6
97.06518	5.0
97.10124	2.9
99.08100	12.3
100.81131	1.2
105.07038	11.5
107.04928	3.6
107.08590	15.8
109.06512	1.4
109.10152	7.9
113.09679	1.7
117.07010	3.3
119.08582	9.7
121.10157	9.5
123.08019	1.8
123.11691	2.1
127.03942	1.5
129.06984	1.9
131.08551	4.5
133.10126	9.5
135.08023	1.1
135.11702	13.5
137.09637	1.2
143.08521	1.8
145.10098	3.4
147.11664	4.8
149.09673	1.4
149.13269	5.3
151.11194	6.4
157.10114	1.7
159.11635	3.1
161.11951	1.1
161.13258	7.6
163.11131	3.6
163.14877	1.7
173.13278	2.2
175.14807	1.8
177.12801	1.9
179.14317	35.8
189.12665	2.0
195.13820	1.7
199.14922	1.5
214.72777	1.0
228.39915	1.1
229.14418	1.5
235.16862	1.5
241.19568	2.3
255.09126	1.3
259.20483	4.2
275.20227	1.1
277.21622	25.0
351.25302	100.0
506.92749	1.4
513.30621	3.8
531.36798	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	530.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01862	2.2
55.05508	16.2
57.03428	5.7
57.07072	3.2
61.02917	7.8
65.03941	2.6
67.05509	33.3
69.03432	3.7
69.07074	11.9
69.73619	11.4
71.04991	2.0
75.04454	2.3
79.05495	47.9
81.03414	3.8
81.07060	33.3
83.04990	2.1
83.08620	7.7
85.02893	5.5
85.06535	2.4
91.03949	4.6
91.05489	40.2
91.06054	1.7
93.07043	70.2
95.04953	3.0
95.08611	26.2
97.02869	5.6
97.06547	3.6
98.20845	3.6
98.21427	3.8
98.97561	2.3
105.07039	43.9
107.08601	37.1
109.06503	2.5
109.10149	11.5
111.08113	2.7
117.06986	12.6
119.08579	36.2
121.10155	26.5
123.08046	2.6
129.06995	8.0
131.08560	16.5
133.10136	33.0
135.11700	29.8
143.08557	7.5
145.10132	15.4
147.11687	30.6
149.09566	1.8
149.13266	17.9
151.11221	2.0
157.10120	7.9
159.11703	14.4
161.13261	24.3
163.11162	4.2
163.14838	5.0
171.11667	8.6
173.13261	8.4
175.11290	1.9
175.14822	12.0
177.12708	2.5
185.13239	10.2
191.14362	2.3
197.25826	1.8
199.14861	6.4
201.62732	1.8
203.14375	3.0
213.16513	2.3
231.21103	6.3
241.19508	26.6
259.20578	77.2
277.21579	9.7
333.24133	12.5
351.25305	100.0
367.78815	2.4
375.25504	2.0
441.26569	2.0
449.26114	2.4
495.29507	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	529.336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01868	2.4
55.05508	5.5
57.03440	4.4
57.22482	0.6
61.02925	5.6
65.03948	0.6
67.05503	10.5
69.03428	4.2
69.07076	5.5
69.39175	1.2
69.39595	3.2
71.04996	1.6
73.02906	3.0
79.05491	10.4
81.03432	3.1
81.07062	11.1
83.04965	1.8
83.08625	3.0
85.02905	6.9
85.06570	0.9
87.04443	0.6
88.04954	0.5
89.06018	0.6
91.03958	3.5
91.05480	8.4
93.07037	7.7
95.04971	2.1
95.08608	6.4
97.02898	5.0
97.06535	5.5
97.10180	2.1
101.02395	0.9
105.07040	6.5
107.04966	3.1
107.08591	7.7
109.02915	1.0
109.06529	1.9
109.10155	4.0
111.08093	1.1
117.07009	2.6
119.08587	5.1
121.06509	1.9
121.10138	4.4
123.04449	0.7
123.08108	1.1
123.11718	1.7
125.09641	2.5
127.03919	2.0
129.05495	1.3
129.07019	1.4
131.08575	4.2
133.10136	5.2
135.08081	1.6
135.11714	1.5
137.05936	0.9
137.09610	1.2
143.08517	0.7
145.10120	4.1
147.08116	0.7
147.11679	3.0
149.09641	3.2
149.13310	1.0
153.01836	4.2
157.10162	1.8
159.11656	2.8
161.09612	0.8
161.13240	1.0
163.11218	2.1
165.12843	0.6
169.10152	0.7
171.10300	0.8
171.11671	1.4
173.11789	0.9
173.13283	1.4
175.11258	0.6
177.12788	1.2
185.13220	0.7
189.11247	2.2
193.12346	0.7
197.13350	0.9
203.05251	8.6
203.06857	0.7
215.07021	0.8
219.17485	0.6
227.12952	1.6
229.14372	1.2
229.19531	0.8
239.17957	0.8
245.13875	1.2
247.20679	0.9
257.19046	2.9
268.30576	0.6
269.17517	1.5
275.20078	14.1
293.21155	2.3
309.20633	0.7
331.24905	0.9
349.23746	14.3
349.27332	5.4
367.24753	6.0
383.11258	1.6
385.12967	0.7
391.24939	0.6
395.14651	0.7
438.25110	0.6
499.32471	1.1
511.29239	0.8
515.31396	0.6
529.17004	8.9
529.33533	100.0
530.33856	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15584	2.6
53.03937	10.4
55.01866	8.3
55.05507	19.0
57.03429	7.9
57.07063	5.6
61.02917	7.4
66.75893	2.9
67.05184	3.1
67.05510	43.2
69.07067	25.8
69.46323	8.5
69.46746	10.3
70.07420	2.6
73.02916	3.8
79.05492	59.6
81.03406	11.5
81.07056	52.2
82.07396	5.6
83.04994	6.8
83.08622	9.1
85.02901	8.8
91.03972	5.7
91.05482	53.4
92.05821	6.4
93.07043	69.0
94.07362	3.4
95.01315	6.7
95.04950	10.5
95.08609	36.8
96.08907	3.5
97.02871	5.2
97.06554	13.9
99.08070	4.5
105.04466	3.1
105.07032	69.5
105.69675	2.4
106.07368	14.6
107.04970	8.4
107.08599	37.1
108.08961	3.2
109.06496	2.9
109.10153	13.8
113.09625	4.1
117.07027	17.8
119.07808	3.9
119.08595	49.5
120.08932	3.5
121.10149	21.6
122.10403	2.4
123.11723	2.5
129.07005	8.4
131.08572	24.2
132.08885	2.8
133.10133	48.9
134.10471	5.7
135.11703	21.5
140.23181	2.7
143.08556	10.7
145.10138	18.5
146.10510	4.6
147.11685	42.4
148.12035	4.5
149.09656	3.0
149.13286	14.7
150.13550	2.9
157.10110	9.3
159.11691	18.1
161.13266	27.0
163.11122	3.4
171.11700	11.6
173.13248	8.3
175.14825	12.0
177.12724	3.5
179.14351	3.6
180.14598	4.5
184.63371	2.5
185.13266	14.1
187.14822	3.0
199.14774	8.8
213.16441	2.9
231.21115	5.4
241.19487	30.7
259.20584	87.0
275.20038	13.8
276.20447	24.1
331.26746	2.7
333.24146	5.7
349.23737	32.6
350.24100	94.3
351.25284	100.0
473.10339	2.7
495.29199	3.0
530.21857	7.1
530.30420	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	529.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.0
55.01884	7.1
55.05516	7.8
56.96568	2.0
57.03427	4.1
61.02915	3.9
67.05502	18.2
68.93132	1.1
69.03430	3.6
69.07072	18.3
71.04993	1.7
73.02905	2.9
79.05495	16.5
81.03422	9.4
81.07066	24.3
83.04966	4.6
83.08602	4.1
85.02900	3.9
87.08628	1.3
91.03944	2.1
91.04973	1.8
91.05489	21.7
93.07045	16.9
95.01318	5.3
95.04964	7.0
95.08610	14.5
97.02889	2.5
97.06539	15.5
97.10141	1.9
98.97561	6.3
105.07035	29.6
106.41623	1.2
107.04968	9.6
107.08603	10.2
109.06493	1.6
109.10130	3.8
111.08109	2.1
111.63014	1.7
117.06997	5.7
119.08588	15.1
121.06506	1.6
121.10128	3.8
123.04399	2.5
123.08049	3.0
131.00165	2.2
131.08591	10.9
133.10117	16.7
135.08044	1.9
135.11743	6.5
137.05984	1.7
137.09586	2.2
143.00166	1.2
145.10117	10.2
145.25381	1.4
147.11673	6.1
149.01237	2.5
149.09625	5.5
149.13214	3.7
156.03235	1.2
157.10101	2.4
158.99629	2.3
159.11719	7.6
161.13216	2.2
163.11211	2.1
169.10010	1.3
170.99657	1.5
171.11650	1.6
173.13268	1.7
177.12764	3.0
179.14305	5.3
183.11789	1.6
187.11215	2.8
201.00723	1.6
203.10112	1.9
203.22200	1.4
212.10577	1.4
219.01788	1.6
257.18964	2.3
264.61795	1.2
273.26822	1.3
275.20071	34.8
277.21649	2.1
284.12637	3.6
293.05307	1.2
293.21198	1.5
321.04791	2.2
349.23737	100.0
357.15573	5.7
365.15430	14.9
365.65598	5.2
366.15555	1.6
367.24573	2.0
383.10968	2.5
455.10449	1.3
511.28561	1.7
529.34113	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	529.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42089	1.6
51.35343	1.6
53.03939	7.9
55.01876	12.9
55.05512	20.3
57.03442	19.9
57.07054	2.6
61.02650	3.0
61.02929	45.0
65.03938	1.8
67.05505	68.0
69.03432	26.5
69.07073	28.8
70.06584	2.6
71.01367	2.2
71.04975	6.5
71.56758	1.9
73.02633	1.8
73.02924	18.5
77.49516	2.1
79.05490	45.5
80.55990	1.8
81.03421	19.3
81.06590	4.2
81.07060	80.0
83.04997	10.2
83.08614	14.5
84.08115	1.9
85.02908	50.1
85.06533	3.8
87.04441	2.3
91.03965	24.9
91.05479	41.4
93.06470	3.3
93.07047	41.3
95.04971	12.8
95.08611	39.3
97.02888	35.5
97.06523	24.9
97.10162	9.6
98.97593	3.5
99.04469	9.1
99.08076	5.6
101.02363	7.9
103.03921	3.8
105.07031	36.6
107.04972	12.3
107.08596	35.4
109.02866	8.5
109.06526	14.8
109.10165	30.7
111.04440	2.1
111.08072	7.0
115.03946	3.5
117.07005	15.8
119.08578	32.1
121.06483	6.5
121.10157	17.5
123.04432	2.1
123.08060	8.7
123.11713	8.2
125.09631	11.3
127.03910	18.7
128.06166	2.5
129.05475	2.5
129.07001	3.7
131.08578	19.4
133.06453	2.2
133.10143	28.0
135.08015	8.2
135.11720	10.3
137.05963	6.0
137.09586	5.9
143.08557	5.7
145.04933	4.4
145.10124	22.3
147.11697	23.9
149.09631	16.1
149.13243	8.5
151.11275	2.6
155.10687	2.2
157.10095	8.1
159.11685	14.7
161.09648	2.6
161.13213	7.0
163.11208	8.1
165.09113	3.5
165.12761	6.5
167.96239	1.9
169.10066	3.0
171.10165	4.3
171.11659	6.6
173.11726	7.8
173.13245	7.1
175.11168	3.5
175.14699	2.5
177.12779	3.9
179.10674	2.5
179.14449	2.1
183.11693	3.6
185.13228	3.0
189.09633	1.8
189.11176	11.6
191.37001	2.0
193.12225	3.9
195.13940	3.0
197.13280	2.0
201.07565	2.9
207.13774	2.2
215.18164	1.9
217.15929	2.8
219.01848	1.9
227.12787	5.4
229.14278	10.5
229.19511	3.0
239.17915	7.8
247.20538	3.1
257.13751	2.5
257.18979	15.3
265.21552	2.5
269.17410	7.8
270.17813	2.4
275.20081	100.0
293.21133	19.3
331.22577	2.2
349.23709	65.3
367.24765	55.8
391.25128	2.2
475.26642	4.2
493.27722	4.5
497.21259	3.2
503.17288	2.1
511.29169	3.0
529.16760	4.0
529.30609	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01884	7.4
55.05304	0.8
55.05517	7.7
55.53920	0.7
57.03430	3.3
58.85123	0.6
61.02920	2.5
63.99231	0.6
67.05511	14.2
67.47854	0.7
69.03419	1.7
69.06725	1.2
69.07076	14.8
69.38840	0.7
69.46218	5.1
70.67844	0.7
71.04984	1.2
73.02938	1.0
73.43810	0.7
75.72307	0.7
77.03948	0.8
79.05496	12.3
81.03426	7.3
81.07061	18.1
83.04964	3.4
83.08618	3.1
85.02907	1.7
91.05486	17.5
93.07049	14.7
93.23328	0.7
95.01324	5.3
95.04949	4.1
95.08611	13.4
97.02906	2.4
97.06526	10.3
97.10162	1.4
98.97614	0.8
99.08097	1.2
103.05458	1.0
105.07039	26.0
107.04969	10.8
107.08605	6.8
109.06535	1.8
109.10165	3.7
111.04390	0.8
111.08065	1.7
117.07019	6.5
119.08594	14.6
121.06519	1.6
121.10122	3.5
123.04473	1.2
123.08083	2.3
123.11738	1.0
125.09672	2.1
127.03956	0.9
129.07004	1.2
130.07704	0.8
131.04915	0.8
131.08546	8.4
133.06583	0.7
133.10135	14.1
135.08060	2.4
135.11711	4.0
137.09645	1.2
139.07509	0.7
141.06953	0.8
143.08533	1.2
145.06523	2.1
145.10133	5.7
145.63667	0.8
147.11688	6.2
149.09619	3.0
149.13255	2.7
151.11224	1.4
157.10150	1.7
159.08128	0.7
159.11725	5.4
161.13263	2.3
163.11168	2.2
165.09087	1.1
169.10089	1.1
171.11766	1.0
173.13274	1.8
177.12793	1.2
179.14314	9.7
187.11288	2.4
201.16196	0.8
205.12286	0.9
211.71933	0.7
233.15482	0.7
238.55765	0.7
251.97792	0.8
257.19016	2.4
275.20090	31.7
293.20999	3.3
301.21246	0.7
349.23746	100.0
367.24875	2.0
493.28119	1.2
511.29053	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	529.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
55.01874	7.7
55.05520	7.9
55.96516	1.0
56.96548	2.0
57.03433	3.6
61.02924	2.3
66.07289	1.2
67.05509	16.8
69.03429	2.7
69.06713	1.8
69.07059	12.7
70.51146	2.6
70.51477	1.9
71.04980	1.2
73.02935	1.7
79.05495	15.0
81.03433	7.6
81.07052	25.4
81.48460	1.3
83.04973	3.0
83.08606	4.2
83.75811	1.2
85.02892	3.3
85.06526	1.4
91.03966	2.0
91.05483	23.1
93.07038	17.1
95.01311	4.8
95.04961	4.6
95.08602	14.0
97.02892	2.9
97.06533	15.2
105.07032	34.7
107.04945	8.2
107.08588	8.3
109.06505	1.7
109.10163	4.0
111.08080	1.4
117.06999	6.8
119.08586	17.3
121.06546	3.1
121.10133	5.1
123.04431	1.8
123.08047	4.1
125.09662	1.4
129.06953	1.2
131.08542	9.9
133.10135	18.1
135.08052	2.2
135.11682	3.8
145.06483	1.4
145.10098	7.9
147.11700	6.7
149.09613	4.8
149.13255	1.7
157.10156	1.7
159.11646	7.1
161.13248	3.2
163.11105	1.6
169.10089	2.4
171.11684	2.1
173.13310	1.3
177.12688	3.1
179.14304	5.8
183.11708	1.7
187.11105	2.8
223.08540	1.1
223.13263	1.5
255.09105	1.4
257.18951	4.9
269.10583	2.6
273.09976	1.6
275.20056	43.0
282.45679	1.2
293.21033	1.4
297.17023	1.6
349.16718	4.0
349.23727	100.0
367.17719	6.9
367.24841	2.1
368.18365	1.4
374.15839	2.6
507.69839	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.0
55.01872	7.0
55.05268	1.0
55.05504	6.2
55.58438	0.9
57.03429	3.9
61.02917	3.2
63.71869	1.0
65.03961	1.1
67.05506	15.5
69.03423	1.5
69.06723	1.4
69.07068	16.0
69.65772	1.0
69.74153	4.0
70.45346	1.0
71.05007	1.6
73.02911	1.0
79.05492	15.5
81.03416	7.7
81.07060	22.4
83.04982	2.8
83.08613	2.8
85.02901	2.7
85.06550	1.2
88.66865	0.9
91.05489	17.2
93.07047	17.0
95.01323	7.6
95.04955	6.2
95.08608	13.8
97.02911	1.9
97.06528	11.3
97.10163	1.2
99.08103	1.2
99.60988	1.0
105.07030	29.9
107.04954	9.9
107.08587	8.2
109.06511	2.1
109.10160	3.4
112.98943	1.2
117.07024	7.5
119.07798	1.5
119.08587	14.6
121.06501	2.1
121.10146	4.0
121.56329	0.9
123.08064	3.2
127.03912	2.0
129.07057	1.1
131.08569	8.2
133.10144	17.1
135.08064	2.1
135.11685	3.8
135.41203	1.0
141.06984	1.5
141.45094	1.2
143.08517	1.5
145.06500	1.7
145.10117	8.0
147.07915	1.1
147.11646	7.3
149.09656	2.0
149.13269	2.1
157.10068	2.5
159.11703	6.5
161.13255	2.9
163.11185	1.4
165.09135	1.7
169.10104	1.5
171.11670	1.7
173.13283	2.2
177.12747	3.7
179.14308	7.9
187.11133	2.0
189.64531	1.3
221.65125	1.0
247.20554	1.6
255.54192	1.0
257.19043	4.2
275.20062	35.6
293.21082	5.9
349.23730	100.0
367.17810	1.7
367.24686	2.3
416.36380	1.1
511.28937	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	529.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.01871	18.6
55.05515	26.1
55.61039	1.7
57.03431	11.5
61.02931	27.6
63.27847	1.9
65.03932	3.3
67.05506	42.9
69.03429	17.2
69.06718	2.6
69.07071	25.2
69.69611	9.9
71.04989	4.5
73.02920	12.9
79.05061	3.5
79.05492	43.4
81.03423	9.8
81.07060	43.4
83.04980	7.9
83.08613	15.1
85.02905	23.3
85.06557	2.6
91.03951	14.3
91.04911	2.0
91.05480	34.0
93.07044	37.4
93.07629	2.0
95.04975	8.8
95.08612	23.0
97.02894	23.8
97.06525	27.8
97.10174	18.7
99.04443	3.9
99.08105	2.8
101.02358	4.6
103.04005	2.2
103.05443	1.9
105.07030	29.4
107.04935	13.9
107.08593	41.6
109.02872	7.4
109.06518	6.3
109.10170	13.0
111.08093	2.7
117.07000	14.3
119.08589	27.2
121.06503	5.5
121.10138	12.4
123.08099	3.3
123.11708	5.7
125.09641	17.4
127.03922	8.0
129.06989	3.7
131.08553	17.2
133.06453	2.2
133.10139	20.8
135.08075	5.1
135.11691	9.0
137.09668	2.8
139.07507	2.5
143.08592	2.3
145.06502	2.0
145.10127	16.4
147.08188	2.1
147.11681	13.6
147.47772	1.6
149.09613	21.1
149.13239	4.5
153.09128	1.7
157.10115	5.0
159.11722	10.7
161.13257	6.8
163.11163	8.9
169.10147	4.0
171.10164	12.1
171.11670	4.7
173.02304	2.2
173.11768	3.0
173.13254	5.0
177.12730	5.0
179.14314	2.7
183.11662	2.8
187.11356	1.9
187.13274	2.0
189.11214	16.7
197.13275	2.8
205.12175	2.7
219.72116	1.8
227.12791	22.7
229.14391	2.2
229.19484	3.4
233.15228	1.7
239.17990	4.3
245.13835	13.5
253.17979	8.1
255.16022	3.3
257.18997	12.9
267.44055	1.8
269.17496	6.0
275.20071	66.3
293.21136	4.1
334.75385	2.3
349.23734	100.0
367.24707	33.6
391.24854	4.1
419.14008	2.0
493.28491	2.4
511.29092	5.0
529.29938	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	529.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56217	2.9
51.77515	2.4
53.03944	4.8
55.01875	24.2
55.05504	25.5
57.03439	12.5
61.02926	32.4
67.05509	43.0
69.03434	12.7
69.07068	20.6
69.38591	18.6
69.38995	4.5
71.05016	4.4
71.39450	2.5
73.02911	12.3
79.05495	47.5
81.03411	12.0
81.07051	40.4
83.04978	9.4
83.08619	16.9
85.02909	29.4
91.03953	18.0
91.05486	42.6
93.07040	38.9
95.04981	10.9
95.08605	28.0
97.02890	23.3
97.06534	34.2
97.10170	19.3
105.07029	39.9
107.04955	17.6
107.08600	40.1
109.02864	6.4
109.06522	8.0
109.10164	17.6
111.08084	3.8
117.06994	15.7
119.08578	33.8
121.06517	5.6
121.10143	11.8
123.08057	5.8
123.11700	6.7
123.31523	2.7
125.09645	19.9
127.03934	9.6
129.07007	3.8
131.08582	18.5
133.10107	27.3
135.08028	5.9
135.11703	8.0
137.09605	4.4
143.08571	7.4
145.10117	26.6
147.08020	5.0
147.11705	13.6
149.09616	23.0
149.13222	3.2
151.11150	3.4
155.08574	3.8
157.10124	5.3
159.11713	12.4
161.13292	8.1
163.11195	11.8
169.10091	4.6
171.10167	13.3
171.11546	5.4
173.11812	3.8
173.13116	6.7
175.11171	3.8
177.12759	4.4
178.86087	2.6
187.11203	4.0
187.13187	4.2
189.11203	16.1
191.14297	5.5
197.13358	3.3
227.12794	20.7
229.14281	7.0
239.17929	5.9
245.13799	15.8
247.20546	3.1
253.18085	9.5
257.18985	18.1
269.17621	3.1
275.20059	87.8
297.16824	3.7
320.01984	2.7
349.23743	100.0
367.24771	51.6
391.24902	6.0
511.29187	4.1
529.29987	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	529.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22707	0.7
50.61946	0.7
53.03936	1.8
55.01858	1.1
55.04795	0.7
57.03441	5.1
61.02929	5.2
67.39603	0.7
69.03426	15.1
69.07060	0.8
70.06590	3.4
71.01331	1.4
71.04977	3.0
71.23888	0.7
71.47642	0.9
71.48019	0.8
72.08166	0.8
73.02927	4.4
81.03426	6.3
81.07057	1.2
83.08578	0.9
84.08112	0.8
84.80898	0.7
85.02904	14.9
86.09714	1.6
87.04453	2.3
91.03943	1.1
91.05457	1.0
93.07030	0.9
95.04962	1.3
97.02905	7.2
97.06513	0.9
99.04433	3.4
109.02879	2.8
119.08553	0.9
124.24760	0.7
127.03896	2.4
131.00105	0.8
145.05000	1.2
145.07623	5.2
147.09160	13.3
159.09135	6.2
173.07167	1.8
173.10762	1.3
175.08733	1.3
185.10745	2.1
187.12143	0.9
189.10225	1.8
191.08154	73.0
197.10663	1.4
199.08723	1.2
199.12425	0.9
201.10263	1.2
215.11737	1.2
216.07683	12.8
225.10298	1.8
227.11729	0.8
231.11288	0.8
244.10030	0.8
245.09081	0.9
251.59044	0.9
252.09219	0.9
263.13947	8.3
271.10843	1.1
289.11884	4.5
307.12875	64.8
324.11401	1.1
332.11383	1.0
350.13455	72.2
367.17944	0.9
395.16736	1.1
469.17908	1.1
512.18750	100.0
529.18506	1.4
529.26593	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.6
53.03936	5.1
55.01870	24.4
55.05506	15.2
57.03438	8.3
57.07090	1.7
59.05009	2.0
61.02927	24.9
67.05177	2.6
67.05504	34.2
69.03430	12.8
69.07063	29.3
69.27667	7.8
69.28094	6.1
71.01350	1.4
71.04993	4.2
73.02908	9.1
75.56231	1.4
79.05062	2.6
79.05490	33.5
81.03423	10.9
81.07051	35.5
83.04966	6.6
83.08621	10.5
85.02431	2.1
85.02904	24.0
85.06546	2.2
91.03954	11.3
91.05481	27.5
93.07040	31.3
95.01328	1.7
95.04985	8.9
95.08607	18.7
96.25439	1.2
97.02894	18.0
97.06531	37.0
97.10161	16.3
99.04467	1.9
101.02364	2.7
105.06382	2.5
105.07022	26.1
107.04953	12.4
107.07876	2.0
107.08587	30.6
109.02863	4.0
109.06496	5.1
109.10152	12.1
111.08054	4.4
115.03975	1.5
115.05360	1.7
117.07027	9.5
119.08572	20.5
121.06497	3.7
121.10149	9.5
122.03975	1.5
123.08024	4.4
123.11713	3.5
125.09623	14.4
127.03911	8.4
128.06201	1.5
129.05463	1.9
129.07010	1.9
131.08574	13.6
133.10133	22.6
135.08012	6.2
135.11691	7.5
137.09602	2.8
139.07494	1.9
143.08549	2.7
145.05083	1.6
145.06540	1.9
145.10126	13.1
147.11676	9.9
149.09618	24.5
149.13261	2.4
151.11220	3.4
153.09099	2.1
157.10112	3.7
159.11717	9.7
161.09558	2.0
161.13269	7.2
163.11185	10.1
169.10168	2.7
169.12192	1.8
171.10252	13.0
171.11566	2.8
173.11798	2.2
173.13213	4.6
177.12779	6.6
179.14287	4.8
183.11716	2.7
187.11221	2.8
189.11244	12.0
197.13225	1.6
199.09653	2.0
227.12753	13.9
229.14346	3.5
229.19414	2.9
239.17960	4.4
245.13826	8.3
247.20566	2.0
253.17953	7.8
257.19031	11.0
269.17484	6.5
275.20053	57.0
289.83456	1.7
293.21075	6.5
349.23718	100.0
367.24817	31.4
391.24847	3.4
433.25952	1.7
493.27954	2.9
505.34238	1.7
511.29044	4.0
529.16504	3.1
529.28870	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	528.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57108	0.5
53.03951	1.1
55.01877	3.7
55.05510	6.9
57.03433	5.5
57.07078	11.8
59.05006	3.3
61.02926	5.8
67.05497	1.1
69.03432	10.8
69.07069	46.3
69.31254	2.1
69.31683	1.7
71.01347	1.2
71.04991	4.2
71.08634	8.3
73.02916	24.0
73.06557	8.4
74.34370	0.4
79.05505	1.1
81.03411	2.5
81.07056	1.3
83.08623	2.5
85.02905	22.8
85.10187	4.2
87.04462	1.8
89.06032	27.2
91.03951	1.5
91.05471	1.1
92.65554	0.4
93.07051	1.2
95.04986	0.7
95.08642	1.1
96.12522	0.5
97.02892	17.4
97.06529	1.3
99.04444	0.8
99.11715	1.5
103.03947	0.9
105.07075	0.7
107.08596	1.0
109.02879	2.4
109.10191	1.1
110.32804	0.4
111.11720	80.0
115.03930	9.3
116.10713	0.8
119.08591	0.7
127.03929	7.2
129.12755	100.0
133.04961	9.4
133.10132	0.6
145.04964	8.1
161.26535	0.5
163.06047	2.7
174.89519	0.5
199.16937	27.8
214.18025	3.3
217.17995	42.0
223.06067	1.0
229.14375	0.6
241.07028	1.9
259.08160	2.0
295.10257	0.8
339.49478	0.5
348.22406	0.7
366.23303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17214	0.8
52.44894	0.8
53.03942	2.0
55.01871	1.8
55.05516	11.5
57.03434	2.6
57.07074	2.3
59.04963	0.8
64.32860	0.8
65.03946	1.4
67.05510	20.6
69.07069	10.9
71.04996	1.3
71.57388	1.4
73.06567	1.0
79.05495	15.1
81.07060	20.2
82.40460	0.9
83.04973	0.9
83.08617	4.7
85.06551	1.1
91.05485	15.2
93.07047	15.6
95.05000	1.6
95.08610	13.9
97.06531	3.5
97.10174	2.8
98.98469	1.3
99.08116	1.1
105.04530	0.9
105.07036	14.7
107.04948	1.0
107.08607	8.6
109.06562	1.3
109.10156	5.9
111.08105	0.9
115.05459	1.8
117.07034	10.2
119.08578	11.4
121.10168	5.0
123.11712	2.5
124.93762	7.4
125.09682	1.0
128.06256	3.5
129.07008	11.5
131.08578	14.7
133.10144	9.2
135.11714	3.4
139.11101	0.9
141.07021	3.3
141.89391	0.8
142.07814	3.1
143.08565	14.5
145.10141	13.5
147.08090	1.0
147.11714	5.1
149.13301	1.1
154.07867	1.7
155.01089	0.9
155.08560	8.5
156.09383	1.4
157.10138	13.6
158.10770	0.8
159.11707	9.0
161.13333	0.8
167.08594	3.5
169.10143	8.8
169.58435	0.9
170.10904	1.0
171.11690	11.6
173.13258	5.2
177.12730	1.3
181.10152	4.6
182.97934	1.0
183.11707	11.4
184.07333	1.0
185.13289	7.9
187.11104	1.3
187.14873	2.5
193.10104	1.1
195.11732	5.0
197.13300	8.2
198.97449	48.6
199.14915	5.1
201.16402	1.2
207.11691	2.3
209.13286	4.2
211.14885	3.3
213.16432	3.0
216.98663	1.4
221.13351	1.2
223.14865	2.7
225.16362	2.1
231.86194	0.9
235.14783	1.6
237.16473	2.2
249.16412	1.0
251.18001	1.7
259.20587	1.0
263.18100	1.7
265.19678	1.1
279.20981	1.0
283.20557	1.3
295.20511	1.1
299.20151	1.6
299.23984	1.0
309.22287	1.5
312.26279	2.7
323.23676	2.5
325.21640	1.0
325.25269	1.1
341.24725	1.1
351.23322	1.2
358.63449	0.9
367.26608	1.1
410.52258	0.9
417.31641	5.7
433.21204	1.0
435.18893	52.3
435.32452	16.0
441.59378	0.8
453.33771	7.6
471.34894	2.3
472.07278	0.9
473.34424	1.3
491.35291	1.9
509.22958	1.1
509.36292	11.1
527.24188	38.0
527.37402	100.0
528.38013	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74003	1.5
53.00619	1.5
53.03936	4.7
55.01876	9.4
55.05516	11.5
56.96577	1.6
57.03440	29.2
61.02928	32.2
65.03939	2.5
67.05506	48.2
67.06042	1.9
69.03139	1.3
69.03432	16.4
69.07070	8.9
69.99680	6.1
71.04977	3.9
73.02923	15.8
79.05494	33.0
81.03419	15.4
81.07059	29.2
83.04976	5.1
83.08627	3.6
84.08191	1.5
85.02433	2.0
85.02905	28.9
85.06551	20.8
91.03962	15.3
91.05477	29.3
93.07046	22.0
95.01301	1.5
95.04971	66.1
95.08613	16.0
97.02888	22.4
97.06526	8.8
98.81184	1.5
99.04432	4.4
101.02372	5.2
103.03912	1.8
103.05489	2.1
105.07037	25.7
107.04954	12.5
107.08597	20.6
109.02859	4.8
109.06525	67.6
109.10141	7.4
111.04420	1.9
111.08057	4.1
112.20382	1.8
113.06012	65.5
115.03936	1.8
115.05385	1.5
117.07009	13.6
119.04937	2.0
119.08566	13.9
121.06538	6.8
121.10160	8.4
123.08039	4.3
125.09560	1.6
127.03920	11.5
128.06151	2.7
129.07004	9.0
131.08574	19.5
133.06464	6.4
133.10103	6.5
135.08055	52.8
135.11685	8.3
137.05956	3.9
141.07022	1.9
142.07800	2.5
143.08568	11.1
145.04930	3.0
145.10133	12.7
147.08072	7.9
147.11658	4.0
149.09596	6.5
149.13232	4.4
157.10149	10.8
159.08058	5.5
159.11684	7.1
161.09647	11.3
161.13245	2.3
163.11183	3.0
165.09238	2.4
169.10094	2.1
171.11783	7.3
173.13295	2.2
175.11157	4.5
177.12769	5.7
183.06525	3.3
183.11670	3.0
185.09589	2.3
185.13272	2.6
187.11171	2.5
193.12122	2.0
193.62360	1.4
195.11742	1.9
195.13741	1.8
199.11195	1.7
199.14851	3.5
199.21487	1.5
201.07445	2.3
201.12709	2.5
205.12363	1.8
205.80768	1.4
213.16684	1.8
217.15894	19.8
227.17937	3.1
228.78203	1.4
233.15259	1.8
237.16541	2.0
245.18950	4.8
255.17397	3.9
273.18503	66.1
275.02924	1.5
291.19550	100.0
347.22107	15.4
365.23242	41.6
365.27008	1.1
377.21841	1.5
389.23154	3.5
393.22702	2.1
455.24402	2.5
473.25208	2.6
503.07773	1.8
509.27414	3.9
527.28754	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	527.3344
Annotation	Oncostemonol F
Peak:m/z	Relative Intensity
57.07071	0.5
67.05501	0.6
69.59064	1.4
69.59480	0.9
76.94735	0.3
79.05499	0.7
81.07067	0.7
86.10490	0.3
87.04472	0.4
89.06033	13.2
90.06358	2.2
91.05504	0.6
92.88105	0.3
93.07041	0.7
95.04999	0.4
95.08602	0.7
98.20817	0.7
105.03121	0.3
105.07021	0.9
107.08563	0.4
109.10099	0.5
117.03136	2.5
117.06959	0.4
119.08533	0.5
121.10172	0.5
130.08630	0.7
133.08612	6.5
133.10127	0.6
134.08965	2.1
134.30026	0.3
143.08537	0.5
163.11176	0.4
171.11703	0.4
177.11246	2.7
178.11586	0.9
193.11842	0.4
233.11536	0.6
239.14806	0.5
251.12552	7.3
259.13080	4.1
260.13995	0.6
273.14651	9.1
274.15308	1.3
287.16171	8.0
299.20102	0.5
301.17859	1.4
315.19418	0.8
327.20099	4.8
328.20480	4.0
329.21078	0.5
343.22580	1.4
357.24042	2.0
416.25406	2.9
417.26144	1.2
469.24478	0.4
509.32379	11.3
527.33441	100.0
528.33807	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
54.31242	1.4
55.01865	8.0
55.05519	9.2
55.74206	1.4
57.03439	30.1
57.07048	1.5
61.02641	2.0
61.02923	23.5
65.03931	4.0
67.05505	44.3
69.03141	1.2
69.03439	15.3
69.07072	7.9
71.01357	2.3
71.04974	4.6
73.02915	12.2
78.36306	1.3
79.05499	27.7
81.03416	13.2
81.07059	25.4
83.04967	3.3
83.08613	4.8
85.02438	1.8
85.02908	26.0
85.06554	22.1
91.03957	10.9
91.05479	25.2
91.83641	1.3
93.07051	23.2
95.04973	62.9
95.08140	1.4
95.08617	16.0
97.02890	20.1
97.06527	10.0
99.04457	5.1
101.02367	4.4
103.05479	2.2
105.07037	17.0
107.04955	10.9
107.08599	17.2
108.95195	1.3
109.02867	6.8
109.06521	59.0
109.10132	6.0
111.08084	3.8
113.05235	3.0
113.06007	55.5
115.03914	2.1
115.05467	1.9
117.07023	12.5
119.08578	13.7
121.06493	5.2
121.10152	6.3
123.08037	3.5
125.09638	2.8
127.03915	10.1
128.06212	2.7
129.07027	7.4
131.08554	17.7
133.06490	2.5
133.10143	7.7
135.08066	41.6
135.11688	6.3
137.05939	3.2
137.09604	2.1
143.08554	9.2
145.04948	3.7
145.10094	10.4
147.08063	6.6
147.11659	2.4
149.09659	7.0
149.13278	2.5
151.11143	1.5
155.08505	2.4
157.10135	8.2
159.08087	1.8
159.11652	8.2
161.09598	13.0
161.13246	1.7
163.11180	3.4
165.09090	2.1
169.10201	1.8
171.11642	5.1
173.09628	2.0
173.13252	2.8
175.11227	3.5
175.14703	1.5
177.12749	3.9
183.06499	1.9
183.11673	2.9
185.09685	2.0
185.13260	2.0
195.13631	2.3
199.11206	1.9
199.14832	2.5
201.07550	1.8
201.12747	3.9
206.91574	1.5
217.15913	16.2
227.17970	3.4
233.15361	2.8
237.16393	1.9
245.19064	2.3
255.17453	4.6
273.18484	49.9
291.19543	100.0
335.20486	2.2
347.22174	11.0
365.23276	30.5
389.23108	1.6
393.22577	2.5
437.39682	1.7
491.26428	2.3
509.27747	2.4
527.28790	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	527.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.3
52.86089	1.3
53.03949	7.3
55.01880	8.0
55.05512	29.3
57.03441	14.5
58.90319	1.3
61.02931	15.6
61.05981	1.2
65.03935	2.7
65.05779	1.2
65.62234	1.1
66.89520	1.0
67.05506	34.9
68.98891	1.1
69.03429	25.9
69.06688	1.5
69.07069	24.4
69.07430	0.8
69.60319	1.1
70.73161	2.7
71.01342	3.8
71.04990	5.1
73.02919	10.0
79.05493	34.0
81.02936	1.8
81.03418	35.5
81.06589	2.1
81.07058	36.1
83.04977	11.8
83.08627	15.4
85.02906	24.9
85.06528	1.6
87.00781	1.3
87.04433	1.2
89.44081	1.0
89.75497	1.3
91.03954	8.5
91.05481	25.7
93.06483	1.5
93.07046	22.6
95.01293	1.7
95.04972	15.4
95.08610	16.4
97.02895	25.3
97.06523	6.7
97.10170	20.4
99.04470	7.1
101.02393	6.2
103.03956	2.7
103.05468	1.7
105.07023	20.8
107.04953	9.3
107.08603	21.1
109.02879	10.0
109.06528	5.3
109.10164	14.5
111.04427	3.5
111.08086	5.0
112.01868	1.3
116.06306	1.2
117.07011	9.4
119.04946	2.6
119.08578	18.1
121.06516	7.9
121.10120	8.3
123.04449	3.0
123.08073	10.5
123.11687	1.9
125.09643	18.0
127.03920	13.6
129.06999	5.6
130.07796	1.3
131.08549	12.9
133.06511	6.1
133.10132	11.0
135.08075	8.0
135.11720	3.9
137.09607	3.7
139.11127	1.3
141.06934	1.5
143.08540	5.7
145.04935	3.0
145.06552	3.2
145.10143	9.1
147.08043	8.4
147.11708	3.5
149.09570	7.2
149.13284	2.1
151.07547	2.4
151.11154	3.7
153.09071	2.1
157.10130	4.9
159.08037	3.2
159.11678	4.3
161.09653	7.3
163.11130	7.5
165.09155	3.3
169.10236	1.9
171.10211	2.5
171.11646	3.5
173.04471	6.8
173.09605	2.9
175.07637	1.8
175.11215	5.1
177.09132	2.1
177.12758	1.5
181.12192	1.6
183.06601	3.7
185.09578	1.5
185.13269	1.6
187.11232	1.8
189.11229	15.4
189.12743	1.9
193.12204	9.6
199.11220	1.4
201.07629	2.7
203.10580	1.5
205.12244	3.5
205.70976	1.2
207.13615	1.4
211.13333	9.7
217.15860	1.3
217.66849	1.5
221.38028	1.5
223.13261	15.9
227.12822	7.1
227.17928	2.6
231.13710	1.3
233.15367	1.6
235.13246	1.5
243.12210	2.4
245.13808	2.3
245.18999	3.5
249.14845	5.6
253.14377	2.7
255.17531	2.1
263.20096	3.1
267.15860	2.7
273.18451	29.4
283.15424	1.4
285.17004	1.6
291.19543	100.0
315.19547	1.7
337.23462	1.9
347.22150	10.3
357.20203	1.5
365.23233	52.2
407.24054	3.6
417.22922	1.6
435.23709	1.4
473.25275	1.4
491.26193	2.2
509.27432	8.0
527.28522	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	527.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33385	0.8
53.03955	3.8
53.98452	0.8
55.01880	8.1
55.05274	1.5
55.05515	24.8
57.03440	11.5
59.04984	1.1
61.02651	1.1
61.02931	16.2
62.83029	0.6
62.92190	0.7
65.03946	2.0
67.05502	28.3
69.03432	22.6
69.07071	23.3
69.28793	7.6
71.01334	2.5
71.04971	2.9
73.02917	9.0
79.05495	25.2
81.03420	27.9
81.07059	27.5
83.04981	7.7
83.08618	13.1
85.02434	1.4
85.02908	20.1
85.06535	1.2
87.04475	1.1
91.03963	7.0
91.05477	18.4
93.07044	19.9
95.04973	11.7
95.08601	11.7
97.02291	1.5
97.02892	23.6
97.06529	5.8
97.10164	15.6
99.04485	4.4
99.08064	1.6
101.02380	4.3
103.03910	3.3
105.07034	13.5
107.04970	7.8
107.08589	13.1
109.02887	8.4
109.06516	3.6
109.10162	8.9
111.04443	4.3
111.08057	3.5
115.03984	1.4
115.05437	1.3
117.07030	7.5
119.04984	1.8
119.08581	11.9
121.06511	4.9
121.10155	5.5
123.04507	1.1
123.08072	7.3
123.11664	1.1
125.09637	14.3
127.03905	9.7
128.06245	1.1
129.05498	2.0
129.07033	4.8
131.04912	0.9
131.08565	8.8
133.06474	3.6
133.07335	0.8
133.10130	7.0
135.08046	5.4
135.11668	3.1
137.05920	1.8
137.09607	2.3
142.07784	0.9
143.08563	3.7
145.04927	2.7
145.06474	1.7
145.10120	7.9
147.08058	7.9
147.11667	3.7
149.09599	2.8
149.13260	2.3
151.07523	1.6
151.11163	1.7
153.09125	1.6
153.12746	1.1
157.10094	4.4
159.08046	2.1
159.11745	3.9
161.09624	3.7
161.13200	1.4
162.10316	1.1
163.11185	3.8
165.09105	3.1
169.10083	1.3
171.10262	1.9
171.11690	2.6
173.04469	2.2
173.09634	1.8
173.11858	0.9
175.11191	3.8
177.12700	2.1
181.10104	1.1
181.12190	1.1
183.06487	2.6
183.10202	0.8
183.11732	1.1
185.09703	1.0
185.13120	1.3
187.11147	1.2
189.11230	11.8
189.12746	0.8
193.12216	7.9
195.13820	1.0
203.10765	0.8
205.12248	2.6
211.13292	8.2
217.12245	1.1
223.13316	17.0
227.12817	4.9
233.15233	1.6
235.13393	1.8
245.13838	1.3
245.19022	2.4
247.16917	1.1
249.14861	3.6
253.14317	2.0
255.17439	1.7
259.13205	0.8
263.20001	2.2
265.14658	1.1
267.15894	2.2
273.18484	21.2
283.15140	1.0
285.17188	1.3
291.19540	100.0
347.22226	7.8
365.23230	35.6
389.22992	1.8
393.22717	1.4
407.24222	1.6
429.21140	2.1
435.23453	1.1
473.25333	2.1
491.26617	1.7
509.27322	5.2
527.28540	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	527.247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
67.05492	1.7
69.03439	0.7
69.07059	1.3
71.04994	0.5
73.02972	0.5
79.05499	1.2
81.03424	0.9
81.07055	2.5
85.02923	1.2
91.05475	0.8
93.07037	1.3
95.08612	0.9
97.02888	0.7
97.06533	0.9
98.21532	1.0
98.97628	0.5
105.07035	1.1
107.08582	1.3
109.10178	1.9
111.05428	0.5
119.08578	0.8
131.08633	0.8
133.10117	0.5
135.11754	0.5
145.10138	0.6
147.11647	0.5
149.09543	0.5
170.16241	0.6
174.95055	0.5
185.04210	0.7
188.02162	0.6
201.03645	0.7
203.05261	1.3
227.05374	0.9
229.14355	0.7
230.14725	1.1
243.04736	2.7
245.06297	4.6
261.18195	1.8
263.19815	2.5
271.04193	1.0
273.18475	0.8
279.19339	8.2
287.03732	22.4
289.05295	35.5
316.12552	0.5
321.19150	2.9
339.20261	0.8
347.22183	0.7
363.20337	0.6
365.23459	0.8
380.02658	0.5
441.24240	2.1
465.24429	0.7
483.25723	11.3
527.24640	100.0
528.25092	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	527.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01868	11.5
55.05266	2.6
55.05510	36.7
57.03197	1.9
57.03438	15.0
61.02928	17.8
65.03930	3.6
67.05180	3.2
67.05505	43.3
67.18258	1.9
67.37864	2.0
69.03426	29.3
69.07065	24.7
70.34175	4.9
71.01363	4.5
71.04974	6.5
73.02925	13.3
75.30782	1.8
79.05493	37.4
81.03423	27.8
81.06590	2.5
81.07056	40.0
83.04964	6.8
83.08617	15.8
85.02910	25.3
91.03955	10.8
91.05479	25.5
93.06563	2.2
93.07056	26.9
95.04976	31.9
95.08605	21.0
97.02892	26.8
97.06518	9.5
97.10171	28.4
98.97585	2.9
99.04447	6.0
101.02355	4.6
103.03922	3.5
105.07040	20.4
107.04955	13.2
107.08593	24.6
109.02863	9.0
109.06489	6.4
109.10155	13.9
111.04419	3.3
111.08076	3.5
115.05375	2.4
117.07022	15.8
119.05069	2.2
119.08566	20.5
121.06500	6.3
121.10139	12.0
123.04425	2.6
123.08059	13.3
123.11737	2.3
125.09622	22.0
127.03919	14.1
129.05489	2.2
129.06984	8.4
131.08583	13.2
133.06458	3.9
133.10117	9.8
135.08017	7.0
135.11658	3.9
137.05954	4.5
137.09599	4.4
143.08554	9.5
145.04912	2.4
145.06427	3.9
145.10136	14.4
147.08078	16.4
147.11665	5.5
149.09598	6.7
149.13252	3.7
151.07527	3.8
153.09047	3.3
157.10089	8.4
159.08147	4.9
159.11713	5.2
161.09636	5.1
163.11137	5.5
165.09120	3.0
168.80617	1.9
171.10147	4.9
171.11610	4.9
173.04388	3.8
173.09610	4.1
175.11180	5.3
183.06497	3.2
185.09566	3.5
189.11215	15.5
193.12225	7.0
199.11212	3.1
205.12289	3.9
211.13208	4.7
223.13242	15.6
227.12769	11.1
233.15173	2.8
245.13795	4.8
245.18970	3.1
249.14796	4.4
255.17415	3.3
267.15900	2.2
273.18506	45.4
291.19543	100.0
315.19604	2.3
347.22183	29.1
356.16647	2.7
362.21976	2.5
365.23212	64.1
389.23187	2.2
399.21567	2.2
435.23767	3.5
491.26480	3.6
509.27582	14.0
527.20691	3.4
527.28522	35.3
527.36200	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	527.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
53.92788	0.4
55.01869	0.7
55.05502	1.0
57.03422	1.5
61.02921	1.4
64.41138	0.4
65.56237	0.4
67.05504	3.0
67.52602	0.4
67.58320	0.4
69.03414	1.5
69.07049	1.5
70.06576	0.4
71.04995	1.0
71.56923	0.5
73.02907	0.7
79.05508	4.0
81.03394	1.8
81.07047	3.1
83.04986	1.3
83.08617	0.6
85.02897	2.4
85.06510	0.4
91.03939	0.7
91.05468	2.2
93.07056	2.7
95.04976	1.2
95.08617	2.1
97.02910	2.0
97.06531	2.8
97.10155	0.5
98.97579	0.6
99.04456	0.9
99.08083	0.8
105.04531	0.4
105.07050	2.9
107.04926	1.4
107.08585	1.7
109.06509	1.2
109.10102	1.0
111.04439	0.8
115.07574	0.7
117.06995	1.0
119.08588	1.9
121.06555	0.6
121.10129	1.4
123.08032	0.8
126.33006	0.4
127.03902	1.2
129.07025	0.7
131.00192	0.7
131.08582	1.4
133.06494	0.5
133.10141	1.0
135.08047	0.7
135.11710	0.8
137.06004	0.9
143.08598	0.7
145.10133	1.3
147.08058	1.0
147.11784	0.6
149.09654	0.8
157.10118	0.8
159.11687	1.0
161.09593	0.8
163.11177	1.0
171.11650	0.6
173.09581	0.6
173.13229	0.4
175.11098	0.5
181.12172	0.5
191.10719	0.5
219.13690	0.4
236.16289	1.2
237.16554	1.6
250.09616	1.2
261.18240	3.3
265.14569	0.6
273.18384	1.9
279.19363	3.8
283.15350	0.7
289.17746	0.8
291.19547	1.1
302.63947	0.8
303.14600	0.4
307.18747	0.6
331.12381	2.6
331.62854	0.4
339.19568	0.4
347.22025	1.6
364.20734	0.7
365.17151	0.5
365.21851	2.8
389.80942	0.4
405.22220	0.5
411.06177	0.6
423.18451	0.6
423.23581	7.1
441.24655	10.5
465.24536	9.6
483.25659	21.2
509.23587	18.8
527.24634	100.0
528.24683	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.4
57.03417	0.3
67.05492	0.7
67.98162	0.2
69.03426	0.3
70.00857	0.2
70.06588	0.6
70.52901	0.2
71.04987	0.3
71.56306	0.3
72.08155	0.2
72.82299	0.2
75.61082	0.2
77.55587	0.2
79.05484	0.5
81.03402	0.2
81.07048	1.0
85.02908	0.5
86.09710	0.3
91.05439	0.6
93.07043	0.6
95.08598	1.0
97.02882	0.5
97.06542	0.4
98.97594	0.6
105.07015	0.4
107.08585	0.5
107.46562	0.3
109.02901	0.3
109.10174	0.3
115.07568	0.2
119.08566	0.9
121.10189	0.5
125.43568	0.2
131.08530	0.4
133.10124	1.0
135.11685	0.4
137.05954	0.3
143.01930	0.4
155.01936	0.6
159.15384	0.2
161.02904	0.3
173.02991	0.6
175.14832	0.9
210.03276	0.2
241.07294	0.5
245.06453	0.4
251.65332	0.3
259.08557	0.4
273.18430	0.3
275.07486	1.2
283.08682	0.3
289.05255	1.1
301.09683	0.6
335.09549	2.8
368.44647	0.2
395.20288	1.7
466.06982	0.3
521.19757	0.3
527.24646	100.0
528.25006	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
57.03429	0.4
58.38406	0.2
58.55701	0.3
59.90902	0.2
61.02917	0.4
63.34488	0.2
67.05492	0.9
69.03406	0.6
69.07062	0.7
70.07664	0.8
71.04989	0.2
72.73043	0.2
79.05489	1.3
81.03411	0.6
81.07066	2.1
83.04988	0.4
85.02897	0.9
85.06511	0.2
86.09665	0.3
91.03970	0.3
91.05487	0.6
91.34770	0.2
93.07043	0.8
94.69979	0.2
95.04967	0.5
95.08595	0.9
97.02888	0.7
97.06536	1.1
98.97559	0.3
105.07025	0.5
107.04937	0.3
107.08600	0.7
109.02885	0.3
109.10170	0.5
117.07047	0.2
119.08568	0.5
123.08087	0.3
127.03883	0.5
131.08603	0.4
133.10118	0.3
135.11662	0.3
143.08548	0.3
145.10201	0.3
149.09650	0.4
155.01871	0.3
159.11780	0.2
175.11304	0.3
185.04285	0.4
227.05357	0.5
245.06566	0.5
251.14938	0.3
253.49463	0.2
260.39935	0.2
261.18320	0.7
273.18552	1.0
279.19406	3.6
289.05353	0.5
293.63388	0.3
302.13974	1.1
302.63858	0.8
303.14108	0.4
307.18820	0.3
308.19180	0.2
321.19839	0.5
335.20117	0.3
347.22214	0.4
365.23160	1.2
423.23578	2.4
441.24557	6.8
447.23795	0.3
465.24667	4.5
483.25687	12.7
509.12424	0.3
509.15887	0.5
509.23590	16.5
527.24634	100.0
528.24896	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.6
55.05515	1.9
57.03427	4.4
60.04533	2.5
61.02929	14.9
62.06091	23.3
67.05496	4.5
69.03445	7.9
69.07073	3.7
69.93022	2.7
69.93416	2.2
70.06589	7.4
71.01358	1.7
71.04986	3.1
72.04519	8.8
72.08158	3.1
73.02924	7.9
74.06069	1.3
79.05506	5.7
80.05040	1.2
81.03417	21.6
81.07057	7.7
82.06581	2.1
83.04983	1.5
83.08607	6.9
84.04490	1.6
84.08131	1.4
85.02905	13.6
86.06080	2.0
86.09691	2.4
87.04468	2.5
88.07623	2.6
91.03952	8.7
91.05482	5.3
91.63573	1.2
93.07062	6.9
94.06535	1.3
95.04960	8.1
95.08621	4.1
95.57632	1.3
97.02911	11.7
97.06538	2.8
97.10175	1.3
98.06067	5.1
98.97582	3.5
99.04453	3.8
100.07623	3.1
101.02386	1.7
105.07045	4.5
107.04948	4.0
107.08602	5.7
109.10131	1.6
110.97615	1.6
111.04501	1.2
111.08096	2.9
114.09238	1.4
115.03922	1.3
116.07086	4.2
116.98739	1.3
119.08568	3.2
121.10145	3.8
123.08068	3.3
124.07578	2.5
126.09180	2.2
127.03925	3.4
129.07019	2.0
131.08528	2.7
133.10118	2.6
137.05988	2.8
138.12775	1.7
145.05017	1.3
146.06117	1.1
147.04390	1.4
147.11667	3.5
149.09618	4.8
157.10112	3.3
165.12820	2.1
167.10625	1.7
173.13261	1.2
175.11145	4.9
177.00722	1.4
182.15446	2.4
184.07379	1.3
192.13803	2.2
193.12239	26.7
193.13887	2.1
210.14900	28.8
211.13248	3.0
219.01675	1.6
225.14880	4.8
226.18071	2.5
228.15933	9.1
231.08775	1.3
236.16548	2.1
254.17575	6.8
267.15887	14.4
284.18698	1.9
285.16965	41.3
302.16229	2.3
302.19601	33.5
309.16959	2.8
313.62500	1.4
320.20639	10.0
328.21216	2.0
333.12640	1.3
341.11899	1.4
346.22260	38.8
363.17636	1.8
482.25977	1.9
508.27545	100.0
509.27808	1.5
526.28137	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89974	0.6
53.14079	0.6
56.96561	6.1
71.95261	1.2
98.97585	100.0
110.35099	0.7
112.12447	0.7
116.53745	0.7
116.98621	39.5
134.99658	11.1
140.00154	1.4
144.22537	0.7
174.97568	0.7
203.30513	0.6
205.40207	0.6
216.98802	2.1
219.02013	1.2
232.96660	1.6
234.99905	2.8
240.98656	9.7
256.96799	2.5
257.96863	1.5
258.99786	81.7
260.00027	1.8
261.00272	1.1
261.03125	3.2
274.97592	6.9
275.98007	2.3
277.00830	68.4
278.01077	1.6
279.00610	0.9
280.96921	0.9
282.01721	1.0
282.99985	10.9
284.00131	1.6
292.98764	1.7
298.97757	5.7
299.97989	4.0
300.02252	1.1
300.97601	1.6
301.00922	8.3
302.01199	1.3
302.97534	0.7
303.00885	0.9
316.98828	7.1
317.98993	2.8
340.99112	0.8
359.00046	3.5
364.99243	1.1
376.97836	0.9
378.88608	0.9
382.99881	23.8
385.51996	0.8
401.01001	64.8
402.01450	1.4
416.99249	1.0
419.02222	9.4
424.02524	1.9
425.01410	1.1
440.98877	2.2
441.98907	4.3
443.02594	1.5
458.99963	1.6
460.00208	3.9
482.93716	1.0
506.99805	1.5
515.49042	0.8
525.01172	36.8
526.01196	1.0
542.99609	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.0
53.48784	0.7
53.49081	0.8
55.01873	1.7
55.05509	2.8
57.03431	1.9
61.02919	1.2
67.05177	1.1
67.05508	15.1
69.03416	4.1
69.07064	2.1
69.78452	4.1
71.04998	1.9
79.05476	2.5
81.03429	1.1
81.07063	12.0
83.44241	0.8
85.02436	1.1
85.02911	15.6
85.03391	0.7
87.04482	1.2
91.03943	1.0
91.05481	2.5
93.07037	2.8
95.04964	2.7
95.08606	8.0
97.02880	5.1
97.06532	1.2
98.20821	1.1
98.97598	2.1
99.04458	3.7
99.08100	1.6
107.08593	1.3
109.02890	1.7
109.06560	0.9
109.10162	56.8
119.08582	3.5
121.10146	2.5
125.05991	7.4
127.03922	3.0
137.09624	86.3
145.04965	5.9
155.10675	28.2
163.06015	1.6
165.09116	42.4
183.08929	0.7
183.10170	28.2
201.11223	100.0
219.12366	1.1
305.10638	1.7
318.89645	1.0
474.42545	0.9
525.19128	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3719
Annotation	PAF C-16
Peak:m/z	Relative Intensity
54.52505	0.3
56.05027	0.7
57.07074	0.8
60.08163	6.1
64.58264	0.4
65.01221	0.3
67.05505	0.5
69.07066	0.6
71.07372	3.4
71.08620	0.6
71.57544	0.5
81.07050	0.8
83.08662	0.4
86.09706	29.3
91.05497	0.4
93.07072	0.4
95.08616	0.5
97.06513	0.5
98.98468	2.9
104.10743	3.5
125.00011	20.3
131.81308	0.3
136.93111	0.7
144.33818	0.4
154.94145	1.1
172.95216	2.0
184.07341	100.0
228.97891	0.6
277.21613	0.5
288.74353	0.4
319.79166	0.4
341.30136	0.4
396.85693	0.4
450.19946	0.4
468.20416	0.4
506.35922	1.3
524.24646	1.8
524.37225	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	524.3715
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05507	0.5
56.05033	1.1
57.03431	0.4
57.07079	2.4
58.06567	1.5
60.08165	17.6
62.50464	0.2
67.05502	1.2
69.07065	0.6
70.06577	0.3
71.07376	6.8
71.08627	2.0
71.26581	0.5
79.05485	0.4
81.07060	1.1
83.08617	0.5
85.10169	1.1
86.09707	52.3
86.95135	0.2
87.54817	0.3
91.05463	0.4
93.07056	0.6
95.08636	1.5
97.10146	0.6
98.98460	4.3
104.10745	100.0
105.07002	0.5
105.11081	0.3
107.08572	0.3
109.10149	0.8
111.11696	0.3
113.31680	0.3
119.08654	0.2
125.00008	26.7
135.11719	0.3
145.10097	0.4
149.09692	0.3
154.94177	0.3
163.01582	0.6
172.95219	0.5
181.02513	0.3
184.07343	92.7
258.11041	1.4
275.20105	0.9
341.30511	1.8
413.79028	0.3
446.44531	0.3
466.19034	0.3
506.36053	8.6
524.37140	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
54.05159	1.1
55.01866	1.9
55.05516	10.8
57.03437	5.9
57.07076	32.3
57.75367	1.2
59.79312	1.2
61.78301	1.4
67.05508	22.7
69.03423	2.9
69.07075	9.9
69.71451	3.0
69.71859	6.8
71.05000	3.1
71.08633	20.8
79.05486	11.7
81.03417	33.8
81.07058	28.1
83.04974	4.3
83.08624	22.9
85.02903	17.6
85.10186	13.6
91.05486	15.2
93.07059	9.8
95.04974	14.8
95.08604	24.5
95.09171	2.2
97.06567	2.6
97.10152	8.1
105.07048	10.4
107.04955	2.9
107.08586	4.6
109.10160	8.5
111.08110	5.4
115.05497	1.5
115.23302	1.2
119.08558	8.8
121.06618	1.5
121.10146	6.2
123.08012	1.7
123.11726	3.5
125.09662	2.3
129.06987	6.7
131.08537	6.3
133.10158	4.9
136.93130	9.8
137.13168	2.3
141.22151	1.2
142.07773	2.0
145.10211	1.6
146.67079	1.2
147.11650	7.3
149.09586	3.2
154.94176	13.9
157.10103	7.8
165.12662	1.8
168.78540	1.2
172.95253	17.9
174.85872	1.5
175.11121	8.5
184.07288	2.9
190.96301	6.4
193.12257	30.0
195.96899	3.1
210.97035	2.6
211.13298	34.2
211.15283	2.3
228.97792	6.9
233.01796	1.5
239.23810	4.2
246.99075	3.1
267.15897	10.6
277.21738	2.2
295.22650	2.1
305.90585	1.3
313.27386	11.2
449.19778	4.2
467.20792	5.6
505.38892	5.4
523.23590	22.9
523.39990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21862	8.4
57.07060	17.0
67.05505	12.5
71.08634	18.8
71.27645	15.9
81.03423	20.7
81.07047	26.6
83.08621	10.4
91.05487	14.7
93.07026	9.5
95.08600	21.3
121.10117	13.4
131.08531	9.6
134.77934	10.7
136.93138	21.1
138.46735	9.4
143.06639	9.7
154.94157	29.0
172.95258	27.7
184.07353	12.4
210.96841	10.6
225.08881	100.0
265.12012	27.5
268.00357	8.6
273.81339	9.3
303.50809	10.4
313.27380	13.9
449.20477	11.9
523.24078	61.8
523.39484	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23850	4.4
53.03937	7.1
55.01868	6.8
55.05512	24.8
56.96565	5.6
57.03436	7.4
57.07067	14.6
59.93438	5.2
61.02918	15.7
61.18117	5.1
64.68279	4.4
67.05507	31.9
69.03424	10.8
69.07069	43.1
69.84141	16.9
69.84550	11.4
70.06564	6.4
71.05002	6.4
74.16089	5.1
79.05498	31.3
81.03422	12.5
81.07056	100.0
83.04987	17.3
83.08606	12.1
84.08119	4.5
85.02899	27.3
85.06541	15.9
91.03978	6.4
91.05483	20.6
93.07040	50.0
95.04967	57.2
95.08614	67.2
96.08949	4.7
97.02880	10.2
97.06518	30.0
97.10176	14.7
98.97578	14.0
99.08054	10.2
103.05488	5.7
105.07037	39.3
107.08623	39.8
107.37182	5.1
109.06499	7.5
109.10159	41.7
111.08149	4.9
111.11693	8.4
113.05999	4.8
117.07021	6.1
119.08576	39.6
121.06509	6.9
121.10149	33.2
123.08186	6.3
123.11707	21.5
124.73026	5.0
125.09598	7.0
131.08583	12.6
133.10129	20.6
135.08057	9.8
135.11736	25.2
137.05984	15.4
137.09636	7.9
137.13248	10.0
139.11159	5.9
140.67307	5.0
145.10127	11.1
147.11697	19.9
149.09546	6.7
149.13243	21.4
151.03934	10.6
159.11725	5.6
161.13240	13.2
163.03947	5.7
163.14812	14.4
165.09088	25.1
173.13303	7.9
175.07550	4.9
179.75580	5.3
203.18085	5.2
204.18208	5.0
221.18968	4.7
237.02820	6.0
277.25180	9.6
289.25192	34.9
289.57455	5.1
307.26291	70.8
325.27478	25.0
479.21756	9.2
505.24588	5.3
523.13977	16.8
523.21344	34.0
523.28888	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	523.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
56.96564	55.3
56.96838	1.8
57.03418	0.7
61.02898	1.4
61.63992	0.5
67.05475	1.7
70.19700	2.3
70.98122	35.7
71.95239	1.7
74.97602	1.5
79.05457	2.1
81.03391	0.6
81.07053	2.6
84.96011	1.0
85.02882	1.5
87.81882	0.5
88.99161	10.5
91.03890	0.7
91.05466	1.5
93.07002	1.6
95.08600	1.3
95.97321	0.6
97.02882	0.9
97.06510	1.3
97.99162	1.8
98.21441	0.6
105.07006	1.4
107.00158	1.7
107.08553	0.8
109.06450	0.6
112.00704	0.6
115.00671	1.8
123.01215	1.1
127.00661	1.6
129.02191	1.5
131.08543	0.7
133.01773	0.5
133.10100	0.6
135.11609	0.7
137.05957	0.7
139.00563	1.3
141.02222	4.2
145.10083	0.8
147.03284	0.8
151.00661	0.7
153.02228	3.4
155.00029	0.7
155.03801	9.2
159.03313	6.2
165.05826	0.7
167.03809	1.7
169.01694	2.4
169.05347	10.2
171.03331	3.5
173.04866	19.4
177.04312	1.0
179.03767	0.8
182.04869	1.0
183.03264	1.0
183.06860	1.3
185.04834	3.6
187.02780	1.6
187.06427	22.4
189.04352	0.8
191.05920	4.4
193.05278	0.6
195.06938	1.6
196.06461	2.1
197.04851	1.1
201.04280	1.3
201.07941	4.3
202.63383	0.5
203.05827	0.8
203.07486	0.7
205.07385	5.5
205.08885	0.9
209.05035	0.6
210.07999	2.4
211.06241	0.9
213.07967	2.0
214.07347	0.6
219.07065	0.8
219.08968	3.3
221.08459	4.6
223.10054	49.5
225.07985	1.0
225.11613	4.9
237.07959	1.3
239.09598	4.3
241.11113	31.6
243.09106	0.9
243.12711	1.2
253.07469	2.0
254.13075	0.6
255.09073	3.3
255.12744	4.3
257.10657	0.7
259.12259	2.9
264.12720	4.1
267.08978	1.3
269.10538	3.8
273.10092	3.1
273.13339	1.0
281.10522	13.0
287.11588	2.8
299.11661	100.0
310.13232	0.8
317.12726	41.0
322.13232	18.0
331.15985	0.6
340.14212	2.9
342.22302	0.6
363.15787	1.0
477.04367	0.6
523.25793	93.2
524.26410	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3556
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.62255	0.4
55.05517	2.1
56.05021	1.0
57.03433	0.8
58.06608	1.6
60.08165	15.1
67.05502	1.2
69.07053	2.2
70.68537	1.0
70.68906	0.8
71.07375	6.1
79.05525	0.5
81.07037	1.0
83.08608	1.4
86.09708	48.5
93.07051	0.7
95.08595	1.0
97.10212	0.5
98.98461	3.0
104.10746	100.0
107.08594	0.6
125.00008	27.5
135.11681	0.4
136.93144	2.5
154.94176	2.2
163.01486	0.6
172.95245	1.7
184.07346	95.6
206.52864	0.4
210.96843	0.6
228.97864	1.0
258.11130	0.6
339.28986	1.3
448.18582	0.5
466.19528	0.5
504.34601	10.1
522.22394	2.6
522.35577	37.4
523.35516	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.05506	17.2
55.13060	2.4
57.07065	3.3
67.05177	2.9
67.05509	36.9
69.07076	16.7
71.56805	2.9
71.57208	3.4
73.34122	2.6
79.05496	68.7
80.65051	2.4
81.07064	43.9
83.04958	2.7
83.08611	9.7
85.06541	3.5
91.05476	23.3
93.06478	4.8
93.07049	91.3
95.04964	4.8
95.08607	25.1
97.06545	5.0
105.07027	18.0
107.08598	42.1
109.10162	23.1
117.07024	6.8
119.08569	14.7
121.09311	4.4
121.10138	48.9
123.11674	4.6
129.07004	3.4
131.08578	6.5
133.10146	15.9
135.11693	38.8
139.13206	2.2
143.08499	3.2
145.10117	7.5
147.11687	8.1
149.09622	3.6
149.13275	23.8
159.11684	8.4
161.13274	7.3
163.11226	3.1
163.14816	6.2
171.11707	6.5
173.13301	3.3
175.14827	6.1
180.84143	2.7
185.13315	2.8
197.11745	10.3
235.16992	2.9
241.19518	7.8
249.18460	3.0
259.20612	12.6
291.23184	100.0
393.46164	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.01869	5.1
55.05515	23.7
57.03439	3.6
57.07071	2.5
65.03934	2.5
67.05507	48.1
69.03443	3.5
69.07070	17.5
69.59209	9.7
71.04987	2.8
71.73739	1.3
77.62397	1.4
79.05500	19.2
79.86427	1.5
79.87045	1.4
81.03428	2.1
81.07063	40.5
83.04980	7.9
83.08630	9.9
85.06545	5.6
91.05489	34.6
93.07050	34.7
95.04955	8.6
95.08612	14.6
97.06538	6.3
97.10175	3.3
105.07036	37.5
107.04939	2.9
107.08612	25.6
109.06511	4.6
109.10163	40.3
111.08098	10.8
114.10685	1.4
117.07028	5.6
119.08591	10.4
121.06496	2.0
121.10149	6.3
123.11717	8.2
125.09673	2.0
129.07051	4.4
131.08569	10.1
133.06508	2.5
133.10139	53.6
135.08055	3.1
135.11705	5.4
137.09599	2.6
143.08566	5.7
145.06479	2.8
145.10133	4.4
147.08023	3.1
147.11696	4.2
149.09593	5.2
149.13263	2.8
151.11188	34.1
155.08589	3.0
157.10143	4.5
159.07986	2.1
159.11726	3.3
161.09601	2.4
163.11166	3.0
169.10107	2.4
171.11710	2.8
173.13313	2.0
175.11273	3.0
177.12639	2.0
179.10742	2.5
183.11659	2.3
183.13811	10.6
184.07381	2.7
185.13339	2.0
197.19275	1.3
199.14850	2.1
201.12796	2.2
209.13333	1.6
277.21643	3.5
287.19922	1.7
327.23285	2.0
328.96310	1.5
331.22836	2.0
338.45517	1.5
339.23148	1.8
343.22546	1.9
345.24197	5.5
359.26062	2.2
419.29205	1.7
437.30579	5.0
451.31866	1.6
455.31589	9.6
459.34833	2.2
469.33392	13.4
473.32910	2.7
487.34213	100.0
505.35168	3.0
522.32892	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	522.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.3
56.05041	0.6
56.15117	0.1
58.06633	0.4
59.07385	0.2
60.08164	6.1
60.76429	0.1
67.05490	0.1
69.07057	0.5
69.40604	0.9
71.07375	3.5
78.22020	0.1
81.07062	0.2
83.08627	0.3
86.09706	30.1
93.07048	0.2
95.08601	0.3
98.20785	0.2
98.98464	2.8
104.10742	2.6
107.08579	0.2
121.10135	0.2
125.00004	20.3
126.22566	0.1
136.93169	0.3
137.75108	0.1
154.94150	0.6
161.49051	0.1
172.95245	0.3
184.07338	100.0
185.07657	0.3
206.48149	0.1
210.96744	0.1
225.50229	0.1
228.97852	0.1
258.11176	0.2
339.28952	0.3
451.63412	0.1
504.34421	1.1
522.22443	0.2
522.35541	3.4
545.94641	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01864	1.1
55.05511	2.1
56.90058	0.3
57.03434	2.3
57.64890	0.3
59.04990	0.4
59.53546	0.3
61.02917	1.9
65.34150	0.3
67.05486	1.1
69.03437	4.8
69.06724	0.5
69.07070	6.6
71.01348	0.7
71.05002	0.6
71.29482	0.5
73.02922	9.7
79.05477	0.7
81.03400	0.7
81.07062	2.3
82.03424	0.3
83.08625	1.0
85.02905	10.5
86.09690	0.4
87.04469	0.4
91.03979	0.4
91.05485	2.3
93.07036	1.4
95.04948	0.3
95.08615	3.8
97.02902	7.2
97.06477	0.4
97.62411	0.4
99.04444	0.8
103.03945	0.4
105.07038	6.5
107.08587	3.3
109.02851	0.9
109.10164	2.0
112.73706	0.3
115.03935	3.7
117.07011	0.9
119.08586	27.8
121.10177	1.5
123.11695	0.7
127.03927	2.9
131.08572	1.2
133.04976	3.6
133.10138	26.7
135.11696	1.9
137.05975	0.5
137.09608	0.9
145.04973	4.6
145.10127	1.6
146.10898	0.4
147.11697	3.4
149.13271	0.4
159.86456	0.3
160.12535	1.5
163.06032	1.7
173.13293	1.0
175.14830	100.0
176.15128	0.5
193.15883	7.8
223.06038	0.4
241.07016	0.8
241.33186	0.3
259.08173	1.1
307.18787	0.6
316.72116	0.4
337.20184	0.5
355.21301	0.4
408.23477	0.4
432.41220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.5
56.96321	1.0
56.96563	6.2
57.07087	3.7
67.05518	3.4
69.07054	2.6
69.67417	3.8
71.08625	2.6
79.05513	4.5
81.07051	4.9
83.08616	2.2
85.10146	0.6
91.05500	1.4
93.07044	4.8
95.04980	1.4
95.08621	6.5
97.06545	0.9
97.10154	0.8
98.21566	0.8
102.92596	4.8
105.07021	2.1
107.04960	1.3
107.08590	2.5
109.10173	1.7
117.06978	0.9
118.92082	5.9
119.08546	2.1
121.06406	0.8
121.10140	1.6
131.00130	0.8
133.10121	1.2
135.11693	5.8
136.93126	39.9
145.10110	3.4
149.01228	0.9
154.56755	0.7
154.94180	64.4
163.11197	5.1
172.95251	63.3
175.61084	0.7
176.96306	0.8
177.95802	5.9
180.95830	1.0
181.12296	1.1
190.96304	17.6
190.98042	1.0
192.95705	4.9
194.97375	1.4
195.96835	9.5
196.67107	0.7
198.96742	1.0
210.94786	1.1
210.96786	23.3
212.98361	9.1
213.97951	1.4
218.98343	0.9
227.12778	13.5
228.97871	46.6
230.99402	3.5
233.60466	0.7
233.98418	4.2
235.99879	1.5
246.98897	15.2
251.99562	3.8
270.00494	3.4
285.00482	14.8
293.17862	1.1
303.01529	12.5
311.19009	5.1
326.03043	4.9
329.20059	2.1
373.14529	1.2
382.25458	0.8
391.15482	4.2
407.22333	1.1
429.17032	7.2
440.71512	0.8
441.65424	0.9
447.18240	26.7
454.20914	0.9
465.19269	14.2
470.19913	2.4
472.46951	0.9
488.21100	3.4
503.22104	0.9
506.21881	1.0
521.22028	100.0
521.38342	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	522.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01869	1.7
55.05508	7.8
56.05825	0.9
56.86507	0.6
56.96558	0.8
57.03432	2.6
57.07069	2.1
57.95655	0.6
59.04995	0.9
60.02490	0.8
61.02913	1.8
63.69344	0.7
65.03941	1.8
67.05505	10.0
69.03421	7.3
69.07067	12.7
70.06598	1.0
71.04989	17.2
71.56312	0.6
73.02908	1.3
73.06551	1.1
74.39155	0.7
77.03889	0.7
79.05494	21.4
81.03421	4.3
81.07054	90.6
83.04967	1.8
83.08612	5.4
85.02904	17.2
85.06537	2.0
86.09693	1.4
87.00835	8.8
87.04473	0.8
87.08109	0.7
91.03946	1.7
91.05479	11.9
93.07043	39.7
95.04955	2.0
95.08604	29.4
97.02895	10.3
97.06516	7.2
97.10170	2.7
98.97577	1.9
99.04441	1.9
99.08092	5.4
103.03923	0.8
105.01183	1.4
105.01863	21.9
105.07028	48.1
107.08591	51.3
109.02869	2.7
109.06512	1.7
109.10157	39.8
111.08074	1.8
111.11710	2.7
113.09623	2.0
115.03934	1.5
116.98650	0.8
117.07023	4.0
119.08578	83.4
121.10133	9.5
123.00793	0.9
123.08043	1.0
123.10817	1.2
123.11703	21.3
125.02390	0.9
125.09612	4.4
127.03915	11.1
127.11191	31.5
129.01840	0.7
131.08574	1.9
133.10126	41.1
135.11690	100.0
136.03937	1.4
137.05954	1.2
137.09596	0.9
137.13293	5.0
139.11176	2.2
141.12714	1.0
143.10667	15.3
145.04968	6.7
145.10114	2.9
147.11685	26.3
149.13258	8.9
151.11177	2.3
153.07021	0.8
153.12744	9.4
157.10155	0.8
157.12192	1.3
159.02844	1.0
159.11691	2.5
160.12427	1.0
161.13251	20.0
163.07428	0.6
163.14806	4.3
165.12849	1.6
169.01285	1.2
173.13275	1.3
175.14815	3.9
177.16351	3.0
189.03947	0.9
191.06851	0.7
199.11186	1.1
203.17949	88.1
204.10156	0.7
220.17712	0.9
221.15393	2.5
221.19000	87.4
231.05130	3.7
236.07098	3.3
239.16219	1.1
239.20044	3.6
240.26773	0.6
249.06042	6.3
256.22568	0.7
280.06021	1.9
302.17490	1.8
308.05536	4.5
309.05923	0.8
311.14331	1.0
311.20038	1.0
324.26230	0.7
339.99783	0.8
353.13828	1.4
360.17853	0.7
406.12924	3.7
414.22568	1.2
451.22888	1.1
460.23395	0.8
462.17337	1.8
469.24054	0.9
504.25443	1.2
522.13947	6.6
522.21497	1.2
522.29285	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3397
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05507	1.2
56.05039	1.3
57.03436	0.4
58.06571	1.5
59.07386	0.4
60.08162	18.5
67.05504	3.1
69.07072	1.1
70.06594	0.3
70.33968	0.6
70.34331	0.4
71.07370	7.1
79.05491	0.9
81.07053	2.7
83.08627	0.5
86.09704	51.6
91.05476	0.7
93.07056	0.8
95.08608	2.0
98.98462	3.7
104.10741	100.0
107.08631	0.3
109.10178	0.5
125.00001	30.1
133.10156	0.3
135.11690	0.3
163.01541	0.8
184.07335	99.0
192.14740	0.2
197.82765	0.2
217.71509	0.3
258.11075	1.0
327.77533	0.3
337.27444	0.6
373.69330	0.2
443.25641	0.4
502.25644	0.5
502.32947	9.5
520.33972	37.6
521.34247	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79235	0.5
67.07135	0.5
70.66843	1.3
70.67194	0.6
71.81889	0.5
74.02439	0.6
85.02908	0.7
91.03521	0.6
91.05434	0.6
94.80167	0.5
98.97581	2.7
115.05486	1.3
116.98621	0.9
117.07005	0.9
118.06546	18.0
127.28931	0.6
130.06535	1.8
132.08115	4.8
136.90004	0.6
142.06505	1.5
143.07310	2.1
144.04439	0.8
144.08095	11.2
146.06012	59.0
158.99644	1.4
159.09190	5.4
160.07578	0.8
170.05981	4.5
177.00667	0.9
185.45625	0.7
188.07071	100.0
205.09731	51.3
237.86035	0.5
297.54263	0.5
384.68979	0.6
450.03888	0.6
519.93890	0.6
521.17981	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.1
56.05037	0.5
57.03429	0.2
57.12456	0.1
58.06631	0.4
59.07385	0.1
60.08162	5.9
65.63966	0.1
67.05508	0.6
69.07057	0.2
70.80936	0.1
70.81264	0.2
71.07373	2.6
77.25077	0.1
79.05492	0.2
81.07055	0.4
83.08601	0.1
85.78304	0.1
86.09705	28.1
95.08601	0.3
98.98463	2.6
104.10047	0.1
104.10744	2.8
109.10138	0.1
125.00002	19.3
137.74959	0.1
147.11601	0.1
166.02657	0.1
166.06267	0.1
184.07336	100.0
185.07663	0.1
258.11032	0.3
502.32874	1.1
520.33960	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	519.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29650	3.7
55.05503	14.1
60.96030	3.8
67.05515	21.1
69.07063	13.6
76.47974	3.5
79.05488	15.6
81.03409	7.2
81.07055	39.7
83.08611	9.9
85.06549	6.4
91.05474	23.6
93.07059	30.3
95.08609	44.0
96.67712	3.9
97.06519	11.0
98.20663	7.3
99.08080	23.1
103.05476	4.2
105.07034	60.6
107.08588	68.4
109.06536	4.7
109.10168	27.5
117.07001	7.6
119.07796	7.7
119.08586	100.0
121.06489	6.5
121.10161	33.5
123.08096	6.5
123.11681	7.3
129.07007	5.5
131.08569	49.3
133.10120	50.6
135.08034	7.9
135.11720	24.7
137.09608	4.7
142.07774	6.1
143.08563	17.8
145.10138	61.4
147.08020	6.4
147.11681	49.7
149.13269	8.9
156.09331	8.8
157.10152	20.7
159.11700	40.3
161.09637	8.5
161.13254	26.9
163.07547	4.7
163.11136	7.2
163.14845	6.8
169.10149	7.2
170.10950	4.1
171.11690	20.2
173.09564	4.2
173.13293	50.4
175.11209	4.1
175.14830	46.6
177.16315	5.5
179.14412	8.0
183.11681	7.5
185.13248	29.5
187.14854	72.4
189.12764	10.8
189.16402	12.7
191.14337	18.0
193.69559	4.1
195.13870	4.7
197.13280	8.3
199.14795	34.5
201.12750	5.1
201.16388	66.2
203.14293	16.4
205.15907	10.9
209.13411	4.5
211.14915	8.1
213.16371	25.0
215.14378	7.7
217.15793	8.0
219.13922	7.4
219.17451	11.0
227.17880	8.8
229.15834	6.2
235.13298	14.8
243.13756	4.0
249.14804	10.6
253.19553	4.2
259.16934	12.3
265.19492	6.4
267.21307	7.5
271.05963	28.1
353.24896	6.1
373.28757	9.5
391.30008	40.9
393.31473	8.5
409.31113	34.7
419.29535	27.1
437.30566	66.0
439.31854	5.5
455.31561	66.2
457.28146	8.2
465.29706	10.3
473.32574	14.3
483.31046	14.4
501.31635	10.0
519.33124	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	519.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01137	0.4
69.03414	0.4
69.48607	1.8
70.06596	0.6
72.08157	0.2
79.05470	0.3
81.07072	0.3
84.08160	0.4
85.02901	0.5
86.09723	0.3
91.05499	0.3
93.07044	0.4
95.08626	0.3
96.08131	0.4
97.06557	0.4
99.08905	0.3
107.08602	0.3
114.12818	0.3
121.10194	0.3
131.08574	0.3
137.05977	0.7
144.08423	1.3
205.80536	0.2
233.14919	0.3
259.07849	0.3
287.10675	0.6
357.18802	3.2
372.66061	0.2
429.19943	0.2
459.21936	0.7
469.20276	0.3
487.21381	1.5
501.23987	0.4
519.24164	100.0
520.24396	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	0.4
69.03410	0.5
69.07077	0.4
69.68907	0.7
69.69307	1.8
73.27596	0.3
81.03414	0.6
81.07063	0.5
85.02927	0.7
86.09726	0.8
91.05475	0.5
94.67715	0.3
95.08564	0.3
97.02924	0.6
98.21515	0.3
98.97584	0.3
100.14688	0.4
127.03957	0.4
131.08546	0.6
132.10236	0.4
137.05989	0.7
149.01099	0.3
154.37474	0.3
167.10742	0.3
202.25673	0.3
203.05316	0.9
252.09508	0.5
259.07922	0.8
265.05276	0.6
271.05896	0.3
283.06363	1.4
283.15225	0.6
287.05429	0.4
291.37234	0.3
299.06497	0.4
325.16281	0.3
340.21246	0.7
348.79510	0.4
357.09775	0.5
357.14819	0.4
357.18686	2.6
409.91595	0.3
459.22076	0.7
474.81989	0.3
487.21500	2.8
519.24176	100.0
520.24634	1.0
549.01727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1134
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
56.58743	0.1
67.01843	0.3
68.99800	0.2
69.85822	0.2
69.86220	0.2
73.94972	0.1
78.23441	0.1
91.05469	0.3
97.02883	0.1
119.04950	1.5
121.02847	0.5
125.02429	0.1
129.01862	0.2
141.07082	0.1
145.02847	0.6
145.03835	0.1
153.01830	4.0
163.03883	0.3
171.02855	0.2
180.66629	0.1
181.66811	0.1
187.03894	0.1
203.07071	0.1
225.05490	0.3
229.04991	0.2
243.06497	0.2
271.06009	100.0
272.06332	0.9
428.46796	0.1
433.11325	1.6
475.12027	0.2
497.23489	0.1
501.10138	0.2
502.11877	0.1
519.11346	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	518.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.01874	6.3
55.05514	48.7
56.96564	3.9
57.03433	6.7
57.07067	7.4
57.88840	3.0
59.04992	5.3
60.08160	4.6
64.74643	2.7
66.23148	2.8
67.05508	100.0
69.03423	5.0
69.07075	18.3
70.73332	2.7
71.01363	3.9
71.04998	4.1
71.08612	5.1
71.56642	3.9
73.02912	4.1
79.05496	44.8
81.03419	31.8
81.07056	63.9
83.04983	19.1
83.08623	27.9
85.02882	12.1
85.06532	7.2
86.09713	19.8
87.04457	3.3
91.05486	54.9
93.07050	44.1
95.04973	23.0
95.08619	26.3
97.06525	12.2
97.10173	23.0
99.08120	4.2
104.10745	89.8
105.07038	35.2
107.04946	9.4
107.08583	16.9
109.06554	6.5
109.10168	65.1
111.08065	8.4
117.07004	8.4
119.04872	3.2
119.08588	33.8
121.10141	17.8
123.08064	4.7
123.11726	6.6
124.99961	3.6
125.09635	29.5
129.06972	12.0
131.08565	19.2
133.10127	31.7
135.11693	22.9
137.09605	6.4
140.67783	3.1
143.08585	4.8
145.10124	10.8
146.98209	5.9
147.11711	36.0
149.09657	5.8
155.10675	15.8
157.10167	21.1
163.11240	7.7
164.91907	2.8
165.12732	12.0
173.11749	71.0
175.11201	29.8
181.12267	8.8
184.07338	10.3
187.13271	4.2
191.10715	4.5
193.12248	53.6
207.13902	3.4
209.11765	6.7
211.13297	11.8
222.13672	3.6
225.14861	9.7
227.12714	3.7
313.27374	6.1
347.15390	3.8
364.14618	5.3
365.16199	3.6
436.33051	4.1
459.24957	36.5
486.36450	6.2
518.25293	5.2
518.32166	29.1
518.39008	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	518.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01863	5.7
55.05513	45.3
57.03424	11.5
57.07069	13.6
59.04995	7.0
62.15519	3.1
65.03944	4.3
66.15981	3.5
67.05507	100.0
69.03449	3.8
69.07066	21.0
71.04996	5.8
71.07367	4.1
71.08630	7.1
71.56478	4.7
73.02936	3.9
74.14040	3.4
79.05490	39.0
81.03416	37.4
81.07047	48.1
82.07375	3.4
83.04972	15.6
83.08617	30.8
85.02885	10.8
85.06535	6.4
85.10171	7.0
86.09703	29.6
91.05481	39.3
93.07046	35.6
95.04971	19.6
95.08610	23.7
97.02892	4.8
97.06519	12.7
97.10175	20.4
104.10746	6.9
105.07023	28.3
107.04961	8.5
107.08611	22.4
109.06496	5.2
109.10165	74.8
109.10915	4.3
110.97577	3.3
111.08080	10.7
113.00023	5.1
115.07623	3.3
117.07037	7.5
119.08599	25.7
121.10124	13.7
123.08063	6.3
123.11744	4.1
125.05998	4.4
125.09635	21.7
129.06992	10.2
131.08557	15.9
133.10121	27.2
135.11708	21.1
137.09598	5.0
145.10149	12.0
146.98183	35.2
147.07982	5.5
147.11708	20.0
149.09648	6.8
155.10684	17.8
157.10124	13.2
163.11180	14.0
165.12793	10.1
173.09627	6.0
173.10109	5.4
173.11742	65.5
175.11168	18.2
181.12228	12.2
184.07330	15.9
187.13283	9.0
191.10664	4.0
193.12231	66.3
211.13284	14.4
225.14857	11.3
233.15396	17.8
313.27328	11.7
409.53473	4.1
414.01428	3.7
459.24792	34.2
518.31989	35.7
518.39032	5.2
536.85834	4.3
541.65210	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	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.2
56.05029	0.4
57.03429	0.2
58.06625	0.5
59.07371	0.1
60.08164	6.1
67.05503	0.6
69.79650	0.1
69.80067	0.3
70.06595	0.1
71.07375	3.1
76.22076	0.1
79.05480	0.3
80.97426	0.1
81.07045	0.5
86.09705	30.2
91.05492	0.2
93.07058	0.4
95.08596	0.3
98.21390	0.1
98.98460	3.0
99.95279	0.1
104.10744	2.8
105.07022	0.2
107.08595	0.2
109.10140	0.2
110.54929	0.1
121.10148	0.1
125.00004	21.4
137.97191	0.1
143.00980	0.1
146.24023	0.1
163.11414	0.1
166.02615	0.1
184.07336	100.0
185.07742	0.1
234.04030	0.1
258.11057	0.3
287.05664	0.1
335.25684	0.2
349.78625	0.1
500.31412	1.3
518.32404	3.1
519.33044	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96379	0.3
55.05499	0.8
56.05024	1.5
57.03440	0.3
58.06594	1.0
59.07369	0.4
60.08162	18.0
65.21592	0.3
67.05502	2.5
67.63589	0.3
69.07040	0.6
69.84737	1.7
71.07373	6.3
79.05478	2.2
81.07057	2.0
86.09704	55.1
91.05466	0.9
93.07052	1.9
95.08604	1.4
98.98466	4.1
104.10742	100.0
105.07051	0.4
107.08602	0.7
109.10207	0.6
119.08593	0.5
121.10133	0.5
125.00002	29.6
129.12921	0.3
133.10150	0.5
135.11679	0.5
163.01579	0.7
184.07336	93.6
258.11047	1.3
329.41708	0.3
335.25601	0.6
500.31393	8.0
518.32446	34.3
519.32635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3241
Annotation	1-18:3-lysoPC
Peak:m/z	Relative Intensity
53.03945	0.1
54.39024	0.1
55.01876	0.1
55.05507	0.5
56.05033	1.4
57.03430	0.4
57.07065	0.1
58.06575	1.4
59.07385	0.2
60.08163	17.1
65.03926	0.2
67.05504	2.4
69.07079	0.6
69.90143	0.2
69.90527	0.3
70.06608	0.2
71.07375	6.3
79.05492	1.9
80.01106	0.1
80.97466	0.1
81.07056	2.0
83.08617	0.2
86.09705	51.4
88.77804	0.1
90.09883	0.1
91.05476	1.3
92.76891	0.1
93.07043	2.0
95.04951	0.2
95.08601	1.2
97.06482	0.1
98.20964	0.2
98.98463	4.1
104.10742	100.0
105.07013	0.7
107.08610	0.9
109.10158	0.4
117.07027	0.5
119.08580	0.5
121.10146	0.5
125.00004	29.0
129.21432	0.1
131.08575	0.5
133.10138	0.2
135.11656	0.3
143.01044	0.1
145.10107	0.2
147.11659	0.2
148.67532	0.1
149.13269	0.2
159.11720	0.2
161.13219	0.2
163.01520	0.5
166.06343	0.2
181.02602	0.3
184.07336	95.6
185.07704	0.1
212.94470	0.1
240.09863	0.2
258.11093	0.9
335.25751	0.2
441.23895	0.2
500.31369	8.1
518.32434	36.7
519.32605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.1
56.04776	0.1
56.05036	0.6
56.96559	0.1
57.03437	0.1
58.06305	0.1
58.06626	0.6
59.07151	0.1
59.07407	0.2
60.08163	6.3
63.94130	0.1
65.03933	0.1
66.42175	0.1
67.02666	0.0
67.05507	0.6
69.07080	0.1
70.06598	0.1
70.53585	0.0
70.83853	0.1
70.84195	0.1
71.07373	3.2
75.14944	0.1
79.05508	0.3
80.97417	0.1
81.07045	0.4
86.09705	31.1
87.10037	0.1
91.05468	0.2
93.07038	0.4
95.08607	0.3
98.21227	0.1
98.98462	2.9
104.10744	3.6
105.07041	0.1
105.28543	0.1
107.08583	0.2
109.10143	0.1
112.79962	0.1
114.37901	0.0
121.10156	0.1
125.00003	20.9
131.08540	0.1
143.01030	0.1
149.13310	0.1
163.01590	0.1
166.06325	0.1
184.07335	100.0
185.07684	0.2
188.78221	0.1
258.11057	0.2
289.38651	0.1
335.25873	0.1
445.41644	0.1
500.31390	1.1
518.32434	3.8
519.33142	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.01865	2.2
57.03439	1.9
61.02903	2.1
62.60275	1.4
69.03415	7.8
70.06595	2.0
71.06944	1.5
71.55804	1.6
81.03397	4.7
83.16959	1.5
85.02905	28.7
91.03912	1.6
97.02898	8.0
98.97569	2.6
99.04439	2.5
101.37485	1.4
109.02871	3.7
117.03408	1.4
123.04401	1.8
127.03909	9.2
131.04845	2.2
145.04953	8.3
147.04420	9.0
149.02335	4.4
159.04387	2.4
161.06071	1.5
163.03931	12.2
175.03943	2.3
177.01837	4.2
177.05547	2.2
180.08615	2.5
187.03889	2.7
189.05548	2.4
195.02882	1.9
203.03403	100.0
205.04941	5.7
215.03357	6.0
229.04919	2.1
231.02898	10.1
233.04440	7.2
261.03925	9.4
279.04993	18.8
291.05014	24.2
303.04990	2.0
313.42929	1.4
321.06104	9.9
339.07141	44.7
356.09775	3.6
518.14868	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	517.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.3
55.01860	4.4
55.05513	38.2
57.03443	3.1
57.07083	8.5
65.03941	4.8
67.05508	71.6
69.03429	3.5
69.07070	41.6
69.71532	8.9
71.04996	4.2
71.08639	13.4
73.06556	3.0
79.05495	35.6
81.03426	5.7
81.07059	96.8
83.04996	8.7
83.08617	24.4
85.06547	8.1
85.10163	1.6
86.09701	3.3
91.05484	47.1
93.07047	38.4
95.04980	15.6
95.08607	61.3
97.02858	1.8
97.06546	10.3
97.10175	18.6
99.08109	10.4
104.10747	5.5
105.07034	36.9
105.07687	2.6
107.04952	12.8
107.08591	27.6
109.06530	8.0
109.10159	29.4
111.08092	6.8
111.11771	3.4
113.00036	5.4
113.09665	2.4
115.05402	1.7
115.07582	2.1
117.07012	13.9
119.08581	35.1
121.06513	8.2
121.10137	26.7
123.08082	6.3
123.11714	15.1
125.09623	7.9
129.07014	9.0
131.08563	22.1
133.06528	4.1
133.10139	27.7
135.08058	6.2
135.11714	17.5
137.09642	6.0
137.13254	6.1
139.11172	5.8
141.07001	4.6
143.08565	10.8
145.06494	3.3
145.10121	21.6
147.08032	3.1
147.11703	20.1
149.05981	1.6
149.09630	3.9
149.13248	7.0
151.11206	12.9
151.14835	4.9
153.06938	1.6
153.12778	3.4
155.08546	5.8
155.10617	2.1
157.10118	8.0
157.12282	2.1
159.08110	1.9
159.11694	10.6
161.09660	2.5
161.13254	11.1
163.11223	6.4
163.14841	2.7
165.12782	5.6
169.10155	6.6
171.11700	3.9
173.09668	4.7
173.13303	6.6
175.14861	6.5
177.12727	5.6
179.08640	1.6
179.14362	3.7
181.10184	3.0
183.11678	3.7
185.13329	4.5
186.65706	1.7
187.14859	5.5
189.12753	3.3
189.16446	2.4
191.10628	1.8
191.14310	2.7
193.15903	1.5
195.11659	3.2
195.14000	2.0
197.13271	5.1
197.91206	1.5
199.14874	3.3
201.16478	4.4
204.40381	1.5
207.13907	1.6
209.13301	1.8
211.14868	3.3
213.16414	2.7
217.15994	2.1
217.19507	25.7
219.13823	2.7
223.14908	3.0
225.16455	2.6
227.18004	3.2
229.19638	1.8
235.20590	21.8
237.16400	2.1
239.17963	2.2
247.20593	3.6
267.23364	2.4
275.20123	1.8
279.23288	5.2
289.21570	2.2
307.22800	2.7
317.24634	2.3
333.24493	4.0
341.24805	3.1
347.25992	2.9
355.26343	3.1
403.28345	2.4
405.30322	3.9
407.33270	4.0
417.31335	7.0
425.34335	5.4
435.32632	15.1
439.36160	2.1
453.33713	20.4
457.37082	4.3
459.24896	2.5
467.35333	6.3
485.36298	51.9
489.39398	4.4
499.38062	11.3
517.38953	100.0
518.32007	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31310	1.7
53.03946	6.3
55.01877	6.7
55.05515	41.5
57.03434	3.0
57.07073	10.7
59.04990	2.2
65.03954	4.5
67.05507	75.0
69.03442	3.4
69.06725	3.3
69.07076	42.2
69.24030	16.9
70.17001	1.7
71.04993	4.5
71.08630	15.2
73.06535	2.9
79.05496	41.6
81.03431	7.1
81.07063	100.0
83.04975	8.3
83.08621	29.8
85.06548	7.0
86.09750	3.1
91.05488	48.0
93.07051	48.3
95.04967	16.1
95.08614	70.5
97.06540	12.1
97.10166	20.6
99.08097	10.4
105.04536	1.8
105.07033	44.2
105.07683	3.1
107.04955	13.5
107.08606	30.8
109.06532	8.9
109.10165	31.1
110.10534	1.9
111.08103	5.4
111.11761	4.4
113.00018	3.0
113.09661	2.7
117.07022	14.0
119.08591	34.7
121.06512	9.3
121.10140	23.1
123.08074	8.5
123.11726	16.0
125.09624	8.7
129.07008	9.7
131.08578	24.5
133.06526	2.4
133.10124	27.9
135.08086	8.0
135.11688	22.1
137.09663	6.3
137.13287	7.9
139.11232	6.2
141.07033	4.4
143.08556	11.5
145.06491	3.9
145.10136	19.2
147.08102	3.1
147.11696	20.8
149.09679	4.6
149.13309	7.6
151.11194	9.5
151.14868	7.5
153.12740	4.6
155.08580	4.7
155.10669	2.0
157.10152	8.4
157.12267	1.6
157.58321	1.7
159.11731	8.1
160.58586	1.6
161.09641	4.4
161.13254	11.6
163.11256	4.8
163.14908	3.5
165.12794	6.8
169.10223	3.9
171.11766	8.1
173.09616	3.8
173.13339	6.4
175.11302	3.5
175.14835	8.9
177.12805	6.7
177.16483	2.7
179.14381	6.4
181.10123	3.1
183.11739	4.4
184.07365	3.0
185.13347	5.0
187.11223	2.1
187.14786	3.6
189.12834	2.0
191.10567	2.0
191.14339	4.3
193.12265	3.2
193.15979	1.8
193.19521	1.9
195.11722	2.8
197.13310	5.0
199.14870	2.7
201.16370	2.2
205.15962	2.0
209.13341	2.4
211.14963	3.2
213.16370	3.6
217.16136	2.0
217.19524	33.2
219.13843	2.7
227.17973	2.4
229.19666	2.1
235.20596	24.1
245.15498	1.9
247.20776	2.1
267.23297	4.1
275.20184	2.8
279.23325	6.5
287.23941	2.1
301.21625	1.8
303.23029	1.9
315.23325	2.2
327.23254	3.1
333.24503	2.2
343.26569	3.3
347.25882	2.3
355.26645	2.3
363.29120	2.5
364.29410	5.1
387.28998	3.9
405.30188	2.2
407.33093	2.3
417.31564	2.3
425.34576	2.7
435.32541	11.3
453.33606	25.2
457.36917	2.9
467.35428	4.3
485.36282	46.5
489.39880	2.6
499.37848	9.7
517.39038	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	516.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01859	7.0
55.05512	69.2
57.03437	5.0
57.07074	2.7
59.04990	6.3
60.08159	5.9
67.05508	100.0
69.03424	4.0
69.07069	14.4
71.01351	3.2
71.04976	6.4
73.02908	9.2
79.05494	25.3
81.03425	19.6
81.07062	34.9
83.01343	3.5
83.04983	10.9
83.08618	36.4
85.02911	21.8
85.06549	4.7
86.09711	3.5
87.04476	11.8
91.05476	17.4
93.07052	21.6
95.04945	7.5
95.08620	18.0
97.02883	7.8
97.06527	7.0
97.10170	48.1
104.10748	44.5
105.07019	13.3
107.04941	7.3
107.08585	23.5
109.02854	2.4
109.06500	5.7
109.10159	83.8
111.04430	4.5
111.08055	6.2
117.06982	4.8
119.01158	2.2
119.08566	12.3
121.06466	2.5
121.10119	7.3
123.08063	6.9
125.08759	4.0
125.09631	56.0
126.02481	2.0
129.07024	3.9
131.08588	5.2
132.10172	4.3
133.10158	2.7
135.08078	2.7
135.11696	12.0
135.71910	2.0
137.09619	7.9
143.10658	6.7
145.10138	16.8
147.08040	3.4
153.12738	8.9
155.08594	4.1
155.10660	20.2
157.12225	4.5
163.11192	33.5
173.09595	9.3
173.11745	70.5
177.94630	2.0
179.14323	5.3
181.12204	7.5
184.07330	2.5
187.13222	3.1
191.09149	2.4
191.10568	11.3
199.13304	4.2
209.11716	30.8
223.13327	5.2
227.12756	16.2
361.02725	2.4
363.28928	5.5
516.32269	2.9
516.39038	27.0
528.52753	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3162
Annotation	Ceanothetric acid
Peak:m/z	Relative Intensity
53.03939	3.7
55.01891	2.2
55.05509	13.0
57.03431	2.6
57.07067	4.1
59.05005	2.5
61.02917	3.8
65.03929	3.7
66.00497	3.0
67.05512	21.1
69.03416	11.3
69.07069	17.5
70.06581	3.5
71.04980	5.5
71.56729	3.3
73.02922	3.0
79.05498	20.0
80.65798	2.3
81.03410	8.9
81.07059	46.3
81.65848	2.7
83.04996	5.1
83.08611	7.3
84.08089	2.8
85.02890	9.3
85.06538	4.5
91.05470	41.2
93.07049	46.4
95.04955	7.9
95.08059	4.6
95.08608	58.8
97.02872	6.6
97.06516	11.4
97.10175	5.0
98.97561	9.5
99.04457	3.4
99.08067	3.3
105.07036	73.7
107.04940	3.0
107.08598	53.6
109.02885	3.7
109.03614	2.2
109.06531	5.9
109.10158	26.9
110.97531	3.4
111.04430	4.0
115.05411	4.5
117.07026	16.7
119.04893	2.8
119.08582	100.0
120.04454	4.1
121.06493	8.4
121.10149	34.3
123.08075	6.4
123.11710	8.0
124.03904	2.8
125.94807	2.9
127.03871	6.4
128.06194	5.9
129.07007	15.0
130.07747	3.4
131.08566	68.8
133.06473	7.8
133.10133	55.0
133.30826	2.5
135.08038	10.0
135.11679	19.9
137.05948	7.9
137.13266	3.0
141.06964	4.4
142.07819	12.0
143.08543	34.9
144.09299	2.6
145.04900	2.6
145.10130	89.1
147.08044	8.0
147.11691	32.0
149.05873	4.2
149.09602	3.5
149.13266	18.2
151.07523	5.1
153.09058	7.0
155.08545	7.8
156.09314	7.2
157.10144	31.7
158.10939	3.5
159.08040	6.3
159.11691	52.2
161.06012	4.3
161.09636	14.0
161.13261	30.2
163.07529	6.1
163.11206	7.1
163.14835	24.4
168.09306	7.4
169.10146	14.8
170.10905	3.9
171.11688	31.0
173.09573	5.2
173.13258	47.0
175.07603	4.9
175.11172	8.4
175.14822	29.1
177.09094	2.7
177.12744	9.9
177.16402	16.8
181.10098	5.3
183.11679	25.1
185.09621	5.9
185.13257	70.9
187.11179	11.4
187.14815	92.5
189.12772	33.4
189.16360	27.6
191.10707	3.9
191.14322	11.6
191.17960	16.0
193.10190	3.2
193.15924	2.6
195.11761	4.9
197.13216	10.2
199.11186	5.6
199.14841	27.9
201.08994	3.2
201.12680	12.0
201.16388	53.5
203.10643	9.1
203.14307	26.9
203.17949	33.5
205.12256	6.9
205.15817	5.5
207.13754	8.8
209.13251	4.6
211.14790	6.6
213.12738	4.3
213.16368	15.4
215.14255	12.6
215.17944	7.0
217.12262	12.4
217.15840	10.2
219.01788	2.8
219.13792	10.2
221.11690	6.0
223.14905	4.2
225.16367	3.4
227.17905	6.0
229.12378	6.2
229.15872	5.0
229.19495	5.8
231.13663	5.9
231.17644	2.6
233.11549	4.0
233.15318	6.6
235.13176	4.1
235.16898	5.2
237.16440	3.6
239.18123	3.2
241.15865	3.0
241.19514	5.2
243.13745	5.6
245.15416	5.7
247.13271	5.2
247.16994	11.8
249.14848	24.0
251.12726	10.0
251.16299	2.9
255.21040	2.8
265.14374	7.8
279.21188	3.3
307.24390	3.3
353.24936	4.0
371.25735	7.1
379.26129	3.0
385.18912	3.3
387.26892	3.5
389.28345	7.4
391.30115	4.7
395.25522	3.0
405.27927	10.2
407.29428	10.1
417.27725	10.9
419.29480	5.9
423.29144	13.2
425.30804	3.7
433.27213	4.3
435.28973	33.5
437.30411	10.7
451.28488	20.2
453.30051	40.8
455.31641	23.7
456.49649	3.3
463.28439	10.7
469.29550	18.6
471.30887	10.1
473.32761	5.9
481.29694	13.8
485.19681	10.4
499.30594	22.6
517.21967	31.0
517.31012	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45063	2.0
53.03934	7.1
55.01867	7.4
55.05516	27.9
56.18825	1.9
57.03429	6.8
57.07073	2.3
65.03928	2.9
67.05508	73.9
69.03422	6.3
69.07073	26.9
70.14346	6.1
71.04984	6.2
77.03930	2.5
79.05063	3.6
79.05495	49.8
81.03421	4.3
81.07061	100.0
83.04975	5.6
83.08627	11.0
85.06540	5.8
91.05489	46.3
93.07047	54.2
95.04971	9.3
95.08608	55.3
95.09068	1.2
97.06525	9.8
97.10175	8.5
99.08075	3.5
103.05488	2.1
105.07035	46.2
105.07758	2.5
107.04955	7.2
107.08595	32.4
109.06535	9.7
109.10162	28.0
111.08060	2.8
113.09643	3.1
115.05521	2.9
117.07023	20.3
119.04977	2.0
119.08580	45.5
119.09367	3.8
121.06502	6.4
121.10144	29.8
123.08060	4.4
123.11706	21.0
125.09629	4.7
128.06209	3.9
129.07008	15.3
130.99968	2.2
131.08575	32.8
133.06526	4.1
133.10139	24.9
135.08076	5.1
135.11665	18.4
137.09598	4.0
137.13213	2.0
139.11124	2.1
141.06944	5.5
142.07771	5.2
143.08548	18.7
145.06467	5.2
145.10144	27.7
147.08057	4.8
147.11690	43.2
149.09615	7.0
149.13284	13.3
151.11205	3.8
155.08572	10.7
157.10118	17.3
159.08026	4.1
159.11682	18.0
161.09679	4.1
161.13261	7.9
163.11165	4.1
163.14815	8.6
165.12770	31.0
167.08575	6.0
169.10129	9.6
171.07962	2.3
171.11661	10.8
173.09673	4.4
173.13313	12.6
175.11209	5.7
175.14842	3.6
177.16374	2.6
179.14316	1.9
181.10123	5.5
183.11676	9.7
185.13202	10.4
187.11198	2.0
187.14807	7.4
189.12726	2.3
193.12253	2.6
195.11723	5.7
197.13287	7.1
197.15395	7.0
199.11098	2.2
199.14894	3.6
201.12782	2.9
201.16357	2.7
207.11726	2.5
209.13272	5.4
211.14789	4.1
213.12755	2.3
225.16522	2.9
243.21049	13.0
261.22144	45.4
275.20016	3.6
277.21735	4.0
283.20438	2.4
285.18570	2.0
289.21695	3.4
299.20389	2.5
303.23343	2.1
306.27979	4.9
317.24536	2.3
327.23459	2.4
335.25870	6.4
353.26746	6.4
387.25320	2.8
405.26559	1.9
415.29654	4.5
423.32471	3.2
433.31284	13.7
447.32156	2.3
451.31995	12.6
461.28763	2.2
465.33511	8.7
477.72522	2.0
483.34653	23.5
487.37631	2.5
497.36530	18.1
515.37408	56.8
527.10345	1.9
542.85767	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	515.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.5
55.01871	6.6
55.05267	3.9
55.05513	48.5
56.96554	2.8
57.03431	5.3
57.07074	4.4
65.03947	4.7
67.05507	77.5
69.03424	3.6
69.07072	34.7
69.42542	9.9
69.42945	5.0
71.05004	4.0
73.04206	2.0
77.03943	2.1
79.05493	45.9
81.03429	3.3
81.07060	84.3
83.04978	8.3
83.08627	25.9
85.06549	6.1
91.05485	50.1
93.07044	49.1
95.04997	12.8
95.08612	54.9
97.06528	13.7
97.10187	20.9
99.08099	3.2
104.10742	2.2
105.07031	61.5
107.04963	8.2
107.08600	36.5
109.06526	8.8
109.10149	22.5
111.08077	6.2
115.05457	4.4
116.06174	2.2
117.07017	29.7
117.74926	2.1
119.04998	2.9
119.08579	38.8
121.06485	3.2
121.10137	23.3
123.08078	8.1
123.11712	7.3
125.00013	2.1
125.09643	17.3
128.06244	6.7
129.07004	23.1
130.07738	3.3
131.08566	42.8
133.06514	6.0
133.10126	22.2
135.08075	6.6
135.11668	11.0
136.19910	2.3
137.09654	4.2
141.07010	11.3
142.07768	5.5
143.08566	34.5
144.09352	2.7
145.06483	6.8
145.10117	39.4
147.08102	7.5
147.11673	22.5
149.09630	7.9
149.13266	4.1
151.11205	4.3
153.09157	2.1
155.08551	24.6
156.09383	2.4
157.06519	3.1
157.10133	29.0
159.08037	7.1
159.11694	22.9
161.09618	6.0
161.13258	7.5
163.11232	5.3
165.07030	3.6
165.12741	5.4
167.08583	8.5
169.10132	25.4
171.08047	3.9
171.11679	25.8
173.09634	6.5
173.11972	2.7
173.13214	11.2
175.11221	8.0
175.14726	2.4
179.08582	5.2
181.10147	9.1
183.11671	17.1
185.09731	2.9
185.13313	15.4
187.11227	2.9
187.14870	4.6
193.10207	3.7
195.11723	12.3
197.09633	2.3
197.13271	14.4
199.11252	2.1
199.14838	10.5
201.12781	5.2
203.12796	8.5
207.11743	5.5
209.13234	11.5
211.14856	8.3
213.16243	2.8
219.11842	2.8
221.13307	8.1
223.14893	8.8
225.16437	4.5
225.59021	2.4
227.14337	2.6
233.13344	2.9
235.14876	5.3
239.18094	3.6
241.15921	3.5
249.16492	2.8
251.18155	2.6
261.22089	3.8
265.19620	2.8
271.16827	2.6
273.18600	2.9
283.20581	4.0
285.18701	4.5
291.23291	3.5
295.20328	3.0
297.22092	3.4
299.20203	4.6
305.21158	4.8
307.20615	2.7
309.22186	4.2
311.23798	3.1
313.21515	5.0
315.23096	13.3
317.21262	2.8
321.22171	5.4
323.23724	4.0
325.21484	3.9
329.24762	3.5
337.25308	3.9
353.24652	4.5
363.23346	3.3
365.24908	6.3
367.26300	3.2
381.24039	3.7
403.28558	2.7
405.31747	5.2
415.30096	9.0
423.32690	8.9
433.31073	32.3
445.29758	3.2
451.32089	24.5
455.35242	8.9
465.33813	21.3
483.34753	66.8
487.37958	6.7
497.36316	24.8
515.37402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.9
55.01871	7.3
55.05522	30.0
57.03434	17.3
57.07071	12.9
58.88945	4.6
60.05633	5.8
61.02922	17.5
67.05174	7.3
67.05506	89.4
69.03432	13.4
69.07073	27.2
70.06569	6.2
71.04990	8.4
71.57346	5.9
73.02935	9.4
79.05493	64.5
81.03416	13.3
81.07056	100.0
83.08608	16.8
85.02905	22.4
85.06541	5.9
86.09721	7.7
91.03944	11.4
91.05482	45.3
93.07041	64.3
94.39851	5.2
95.04955	10.9
95.08613	79.8
96.36907	5.1
97.02901	14.3
97.06553	13.7
102.09161	6.3
105.07049	35.2
107.08590	50.6
109.02714	5.9
109.06552	5.5
109.10146	33.6
117.07002	18.7
119.08585	36.3
121.06525	8.3
121.10142	44.6
123.08072	6.2
123.11689	12.9
125.00004	11.1
127.03874	7.7
129.07037	9.5
131.08582	25.6
133.06554	6.2
133.10165	26.7
135.11728	26.0
137.13271	6.5
143.08553	7.4
145.10143	20.5
147.11673	17.3
149.05997	23.4
149.13287	21.3
150.06381	10.3
153.01805	10.4
157.10127	9.2
159.08041	8.0
159.11693	22.0
161.13254	12.5
163.14885	10.6
167.08612	6.4
169.10124	8.5
171.11728	9.4
173.13257	19.8
174.37398	5.0
175.11234	7.1
175.14838	7.6
177.12933	5.5
184.07382	23.3
187.14812	16.0
191.14246	6.0
199.14665	6.3
200.20100	14.3
201.20436	7.0
243.21074	27.0
261.22180	73.2
269.10690	6.5
314.08325	5.1
335.25824	28.5
342.10513	17.3
353.26773	39.5
367.28659	7.0
369.24091	7.8
387.25504	6.4
405.26569	5.2
419.27826	8.2
431.27618	9.7
443.27945	41.1
461.29013	17.2
479.30133	12.5
497.31110	63.5
498.83386	5.8
515.28143	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	515.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.6
55.01864	5.1
55.05509	28.2
57.03436	6.7
67.05167	4.7
67.05504	57.7
69.03445	3.6
69.07068	31.8
69.71394	3.0
70.28522	8.1
71.04984	5.5
73.06548	2.8
78.46140	2.5
79.05497	40.1
81.03409	2.9
81.07060	100.0
83.04982	6.6
83.08619	11.8
85.06528	4.3
91.05477	57.7
93.07043	38.4
95.04976	13.4
95.08605	42.5
97.06569	12.3
97.10152	8.9
97.10714	2.6
105.07034	59.6
107.04945	10.2
107.08604	36.5
109.06503	7.7
109.10164	19.8
111.08089	4.4
115.05444	4.4
116.67140	2.6
117.07038	20.7
119.07806	3.9
119.08598	55.5
121.06508	6.4
121.10142	30.9
123.08077	4.9
123.11725	18.4
125.09595	3.7
128.06227	7.1
129.07042	18.0
131.08568	23.6
133.10120	26.9
135.08096	6.1
135.11678	10.0
137.13280	4.1
141.06966	6.4
141.08995	3.2
142.07816	7.6
143.08580	22.8
145.06517	4.7
145.10129	29.2
147.08034	5.3
147.11685	77.2
149.09595	6.5
149.13274	4.3
151.11128	2.6
155.08572	12.9
156.09389	3.5
157.10132	27.3
159.08099	3.7
159.11667	12.3
161.09601	5.0
161.13257	4.5
163.11203	6.4
165.12761	66.0
169.10141	14.7
171.11627	15.0
173.09612	5.1
173.13255	9.0
175.11169	7.6
175.14877	3.4
181.10092	9.6
183.11743	17.4
185.13206	8.0
187.14792	4.9
189.00740	3.9
193.12267	3.6
195.11684	8.0
197.13335	11.4
197.15367	24.2
199.11270	2.9
199.14844	7.2
201.12709	3.5
209.13242	6.5
211.14812	3.7
223.14894	4.7
275.20215	5.9
277.56442	2.9
285.18530	4.6
287.68115	2.6
289.21704	2.8
305.21173	7.3
327.23203	4.2
415.29816	5.1
433.31021	15.1
451.32172	17.9
465.33633	16.7
483.34631	38.7
487.37875	4.7
497.36270	27.9
515.30414	4.1
515.37421	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	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.6
55.01871	4.6
55.05503	23.7
57.03429	7.6
57.07066	5.2
61.02905	3.7
65.03926	3.3
67.05505	85.5
68.21299	2.1
69.03404	7.1
69.07066	22.5
71.04968	2.1
71.17393	4.5
75.04510	2.7
77.03902	2.9
79.05496	53.6
81.03407	5.4
81.07056	100.0
81.30085	2.0
83.04960	5.5
83.08615	14.1
85.02911	6.1
85.06538	6.2
85.29522	2.4
91.05476	43.3
93.07042	68.2
95.04966	7.4
95.08611	76.6
97.02864	2.8
97.06526	7.4
97.10171	6.4
99.08093	5.3
105.07036	38.3
107.04916	4.4
107.08591	42.9
109.06521	8.1
109.10154	32.5
109.12917	1.9
111.08053	2.9
115.05407	3.3
116.49258	2.2
117.07032	13.6
119.08587	35.3
121.06483	2.6
121.10146	39.8
123.08092	4.1
123.11709	19.1
125.09599	5.1
129.06995	8.8
131.08563	31.6
133.10115	22.4
135.08047	4.3
135.11696	25.0
137.09607	2.5
137.13261	5.9
139.11172	3.3
143.08556	11.1
145.06731	2.0
145.10143	24.6
147.08049	2.3
147.11702	33.1
149.09628	2.5
149.13240	20.4
155.08531	4.7
157.10129	8.4
159.08072	3.1
159.11696	20.5
161.09647	2.8
161.13222	16.2
163.11246	3.1
163.14809	12.5
164.28827	2.1
165.12799	19.1
167.08586	2.6
169.10086	6.4
171.11679	6.2
173.13283	16.3
174.53914	2.5
175.14749	2.2
177.16393	6.2
179.14316	2.9
181.10094	4.7
183.11662	6.6
185.13283	5.1
187.14856	11.6
189.12776	2.3
195.11661	3.0
197.13303	5.3
197.15312	2.8
199.14847	2.9
200.22066	2.2
233.22545	2.0
243.21127	24.2
261.22128	80.0
275.19885	2.5
315.23276	3.0
330.05817	2.5
335.25949	13.7
345.24301	3.7
351.22900	2.2
353.26883	16.2
387.25104	3.2
405.26117	3.5
415.29379	3.1
419.27591	2.5
423.32361	3.0
433.30817	6.3
451.31912	7.9
461.28934	3.0
465.33823	6.9
483.34607	14.4
497.36182	8.3
515.30298	3.7
515.37311	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	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
55.01868	6.0
55.05510	24.3
57.03432	12.3
57.07062	9.1
61.02927	9.3
67.05173	8.0
67.05506	100.0
69.03416	22.8
69.07062	24.7
70.80567	6.1
70.80890	8.5
71.05006	6.9
73.02895	5.1
79.05492	58.2
81.03417	9.0
81.07065	97.0
83.04979	11.6
83.08608	9.2
84.08145	6.4
85.02889	10.3
85.06537	6.9
85.08509	5.9
91.05477	42.7
93.07047	87.5
95.04955	15.3
95.08610	84.9
97.02891	6.2
97.06512	10.1
97.10190	6.7
99.86804	5.3
105.07016	39.2
107.08605	57.0
109.06512	10.2
109.10164	35.7
117.07015	21.4
119.08601	33.6
121.10150	42.3
123.08051	6.7
123.11707	11.4
125.09647	5.7
129.07005	9.0
131.08577	36.2
133.10133	27.3
135.07985	6.6
135.11670	28.3
139.11255	6.7
143.08543	16.1
145.10091	31.0
147.11742	18.8
149.09647	10.9
149.13277	24.6
154.46571	4.6
155.08582	5.5
159.11720	20.9
161.13260	12.0
162.17517	5.6
163.14827	8.3
169.10181	5.3
171.11752	7.8
173.13237	19.1
175.14868	8.2
177.12773	6.9
177.16557	7.3
183.11681	6.3
185.13261	8.1
187.14818	8.3
197.13251	5.7
205.76543	4.7
217.28641	5.5
243.21162	19.5
261.22174	77.6
264.70914	7.4
285.22092	6.0
287.26630	5.7
301.21634	5.8
303.23138	9.3
327.89905	5.5
335.25732	13.5
345.24261	12.6
353.26791	20.2
358.16531	8.5
358.66385	9.4
369.24362	17.4
377.26953	8.5
387.25369	7.4
405.26352	10.7
419.27820	9.5
443.27609	7.0
461.28979	14.6
479.30142	10.4
497.30969	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	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.5
55.05509	31.8
56.96571	4.3
57.03423	14.7
61.02943	9.0
67.05179	7.0
67.05508	99.1
69.03410	15.8
69.07069	30.8
71.01341	6.2
71.04967	5.0
71.33496	8.6
72.85723	3.7
73.02917	9.0
77.29366	4.1
79.05492	61.9
81.03399	9.0
81.07061	100.0
83.08605	14.4
85.02898	12.4
87.54553	4.0
91.03951	5.4
91.05476	35.9
93.07043	77.5
95.04979	9.2
95.08610	85.0
97.02898	9.8
97.06509	9.7
97.10128	5.8
98.97582	5.0
103.05447	4.5
103.83087	4.4
105.07026	38.7
107.08590	47.2
107.38025	4.4
109.06547	11.4
109.10162	43.5
117.07019	19.9
118.36178	4.6
119.08560	29.2
121.06512	6.0
121.10143	42.6
123.08073	6.3
123.11714	17.6
129.07053	5.0
131.00177	7.2
131.08574	30.2
132.11211	4.6
133.10132	26.9
135.11705	35.6
137.09648	5.2
143.08583	5.3
145.10121	18.2
147.08046	5.3
147.11681	18.1
149.09622	5.5
149.13243	18.5
153.88634	4.0
156.03610	8.5
157.10008	5.3
159.11757	20.4
161.13258	10.3
163.14922	9.8
171.11624	5.3
173.13257	16.9
175.11102	6.2
175.14865	5.9
177.12753	6.1
183.11594	4.9
187.14818	9.7
201.16486	5.9
237.85065	4.4
243.21034	19.0
261.22180	61.6
279.23105	5.1
301.21671	11.1
303.23123	8.8
335.25836	22.2
345.24353	11.1
351.23257	6.1
353.26828	25.2
358.16492	10.0
358.66476	27.8
359.16837	7.6
359.66736	7.2
369.24286	12.1
377.26874	5.5
387.25058	6.8
419.27814	12.0
461.28809	6.4
479.30295	7.6
497.30942	19.2
504.50296	4.6
515.26135	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	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
55.01862	2.3
55.05299	1.9
55.05508	20.5
57.03434	11.0
57.07064	5.2
59.64490	2.1
61.02906	3.8
65.03939	3.8
67.05505	80.0
69.03419	6.0
69.07060	20.6
70.00518	1.8
70.44707	2.0
70.45050	6.0
71.04984	5.5
73.02876	3.2
79.05493	51.3
81.03417	5.8
81.07054	100.0
83.04985	4.9
83.08615	9.1
85.02891	7.4
85.06543	3.3
91.03995	2.3
91.05479	36.2
93.06480	3.9
93.07040	62.0
95.01337	2.4
95.04944	5.0
95.08608	65.6
97.02869	3.7
97.06526	6.8
97.10164	7.5
99.08090	4.6
105.07032	28.6
107.04983	2.4
107.08600	37.5
109.06496	7.1
109.10158	33.4
117.07009	14.0
119.08577	22.9
121.10146	34.6
123.08080	4.8
123.11696	18.0
125.09618	2.8
129.07014	4.8
131.08565	28.3
133.10124	19.4
135.08054	3.1
135.11688	28.0
137.13246	5.8
141.08966	2.2
142.07707	2.0
143.08582	4.5
145.10135	19.9
147.11707	14.5
149.09621	3.1
149.13269	16.2
151.14905	3.1
156.40475	2.4
157.10126	4.0
159.11703	17.2
161.13258	10.0
163.14819	13.3
165.12724	2.5
169.91426	2.1
173.13268	17.4
175.14842	3.8
177.16347	4.3
179.14314	2.6
187.14787	8.0
197.13162	2.7
201.16304	2.4
205.15887	3.3
215.18001	2.4
219.17532	2.3
243.21115	23.1
261.22144	69.1
279.23145	4.1
301.21735	3.0
306.27969	6.3
317.17746	2.2
317.24637	2.1
335.25934	18.1
340.73547	2.1
345.24323	4.8
353.26801	20.2
369.24161	3.5
387.25204	3.1
419.27991	4.8
423.26926	2.5
461.29065	2.9
483.34821	2.3
497.30893	6.4
515.37109	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	515.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54106	0.2
55.05512	0.4
67.05492	0.7
69.07053	0.4
71.52641	0.3
79.05489	0.3
81.07050	0.8
87.52074	0.2
91.05510	0.3
93.07060	0.4
95.08636	0.4
97.10142	0.4
105.06993	0.7
117.07049	0.3
120.40350	0.2
121.10152	0.4
131.08530	0.4
133.10074	0.4
161.15968	0.3
185.04247	0.6
256.21854	0.3
479.37985	0.3
497.33112	0.3
515.31934	100.0
516.32574	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31760	1.1
53.03940	1.8
55.05511	5.1
57.03429	3.7
61.02924	2.3
67.05506	7.4
69.03432	2.5
69.07059	1.5
70.68597	2.4
70.68952	1.5
71.04999	1.3
79.05495	8.5
81.03418	90.1
81.07051	6.1
83.04990	3.5
83.08618	21.8
85.02926	3.3
86.09655	1.4
91.05483	12.4
93.07043	5.0
95.04972	25.2
95.08604	2.6
97.02888	4.4
97.06528	1.7
105.07030	8.6
107.04967	5.1
107.08611	3.3
109.06548	2.9
111.04441	1.8
111.08070	10.1
117.07042	1.5
119.08597	10.2
121.06467	1.7
121.10157	5.2
123.04387	1.8
123.08061	1.1
127.60700	1.2
129.07022	6.1
131.08588	6.5
132.88600	1.2
133.06516	2.8
133.10158	3.8
140.74234	1.1
142.07779	2.0
144.84378	1.5
147.08080	2.8
147.11697	7.8
149.09605	3.5
152.14363	1.2
157.10155	9.6
164.91779	1.3
175.11169	13.3
193.12251	68.9
211.13301	6.0
235.13326	2.3
267.15930	34.9
281.33380	1.3
285.16971	100.0
301.14304	1.7
309.17093	10.6
319.15204	1.4
327.17935	1.6
337.16437	1.7
363.17984	4.2
373.13870	3.1
393.19107	2.5
437.95605	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14130	1.9
56.96300	3.8
56.96562	46.0
56.96841	2.8
69.03426	3.8
69.83179	9.5
70.98106	2.6
71.95258	2.4
74.97583	2.0
75.99416	1.9
81.03396	2.3
84.96036	12.5
85.02903	7.4
96.91423	1.7
97.02894	6.5
98.20836	2.3
98.96930	4.4
98.97585	89.0
100.99148	16.5
101.00829	3.7
102.98650	1.8
110.96837	3.0
110.97571	46.0
110.98328	2.5
112.99152	6.9
115.02454	2.4
116.98632	27.9
119.00191	4.4
119.01913	5.1
122.01451	1.9
124.99104	3.5
126.97055	5.2
127.03937	2.6
128.98608	36.5
131.00192	23.5
131.01840	3.0
132.95564	1.9
133.03471	5.7
134.99640	6.6
135.86194	1.9
138.05542	2.4
140.00237	2.2
140.98579	14.4
143.00146	16.5
143.01891	6.8
144.98100	5.5
145.01680	4.0
145.03523	3.2
145.04939	3.2
146.99673	21.5
147.04443	2.0
149.01213	34.6
152.98575	7.9
154.45435	1.8
154.96535	3.4
155.01932	4.4
157.03548	2.4
158.99657	32.2
161.01241	13.7
161.02925	6.0
162.99155	5.7
163.02687	2.3
165.00688	7.5
167.02194	5.7
167.05367	2.0
170.99663	38.4
171.50224	2.0
172.97546	20.4
173.01466	3.4
173.02946	9.1
174.99092	2.3
177.00742	20.2
177.05470	2.3
179.02223	2.0
182.03339	2.7
182.99689	21.6
185.03058	9.5
187.02869	4.3
187.04535	3.1
188.99046	2.7
189.00735	30.4
190.98676	37.7
191.02269	3.9
191.03906	3.2
195.99373	2.1
197.02943	3.5
201.00710	67.5
203.02274	7.0
203.03989	4.3
203.54063	2.5
207.01799	4.0
208.50948	2.5
208.99725	41.1
214.98643	18.0
217.03877	4.8
219.01784	59.8
221.04987	3.5
222.80139	1.9
223.97482	2.1
227.00558	3.0
231.01761	6.1
232.99692	47.0
233.03128	3.5
233.05098	4.8
235.06723	2.2
237.00507	2.8
237.02798	33.9
243.01770	25.6
244.99721	3.6
245.05086	18.2
246.05388	2.1
247.04958	7.8
251.00732	18.1
255.01692	2.4
255.04041	2.6
256.04025	2.3
261.02853	68.2
263.00766	11.4
273.02863	7.9
275.06076	3.1
279.03909	28.0
291.03812	16.1
293.01843	12.6
293.05432	26.9
299.00674	2.8
302.05521	3.1
309.05023	3.5
311.06442	12.3
317.01825	18.5
321.01483	3.5
321.04895	24.8
333.04855	5.9
335.02872	31.1
335.08240	3.3
337.07785	2.4
351.05988	11.7
353.03882	39.7
353.07953	1.7
365.09106	6.3
381.07132	23.8
399.08084	17.6
455.10785	52.6
471.10110	5.1
479.07043	3.6
497.08087	15.9
515.09167	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.05503	4.3
57.03442	3.1
59.75002	1.4
61.02934	2.3
67.05514	12.8
69.03422	4.2
69.07063	4.4
70.58014	4.1
70.82642	1.4
73.02951	1.6
79.05477	5.3
79.65088	1.7
81.03421	79.8
81.07070	8.3
81.07470	1.4
83.04977	5.7
83.08630	21.9
85.02894	4.2
85.06528	1.9
86.09682	1.5
91.03960	2.2
91.05488	12.0
93.07045	7.8
94.31564	1.3
95.04973	24.7
95.08607	6.8
97.02888	5.4
97.06535	2.9
97.10188	2.2
104.10926	1.4
105.07020	9.6
107.04957	6.2
107.08602	4.3
109.02844	1.4
109.10173	1.7
111.04421	1.7
111.08086	9.2
112.99213	1.4
115.05468	1.6
115.92952	1.4
117.07023	1.5
119.04950	2.2
119.08596	9.6
121.10126	4.8
123.04472	1.9
123.08048	1.9
123.11710	2.2
129.06978	5.8
131.08562	8.2
133.06496	3.3
133.10088	3.8
140.07071	1.7
140.22736	1.3
142.07745	3.1
144.65160	1.4
145.10115	1.7
145.97470	1.4
147.08054	2.9
147.11691	8.8
149.09616	3.6
157.05182	1.4
157.10149	11.6
163.11217	2.5
164.10724	3.9
165.12762	2.0
168.06497	2.1
174.05458	1.9
175.11179	12.7
190.08755	1.6
192.10205	5.9
193.12238	62.0
198.70619	1.3
206.08014	2.0
211.13271	5.4
225.10315	2.3
239.11748	4.5
244.69331	1.5
249.14749	1.8
253.09839	3.9
263.10248	2.8
267.11618	7.0
267.15930	51.0
271.06027	4.5
272.06409	10.7
285.16983	100.0
292.03287	1.4
295.10706	2.7
301.14218	1.9
309.17068	10.4
313.11890	17.8
323.12360	6.3
341.11264	9.6
351.17792	1.7
355.13272	1.6
363.18060	2.7
367.17642	1.5
373.13980	50.5
375.17877	2.1
401.45499	1.4
429.21140	5.6
482.18811	4.4
496.20380	3.3
514.21582	8.1
535.76685	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
54.42403	0.8
55.01859	3.8
55.05272	1.0
55.05515	14.5
56.96561	1.8
57.03434	4.1
59.04994	1.5
61.02938	4.7
64.31335	0.9
67.05508	23.9
69.03416	3.9
69.07068	5.5
70.06600	9.4
71.01355	8.6
71.04964	1.6
71.56288	1.5
72.08138	1.3
73.02906	3.2
79.05073	1.3
79.05499	16.3
81.03414	4.0
81.07062	15.4
83.04977	3.9
83.08624	5.1
84.08157	1.3
85.02917	7.8
85.06554	1.1
86.09683	3.9
87.04433	1.6
89.91926	0.9
91.03963	2.2
91.05483	13.0
93.07053	9.6
95.04942	3.4
95.08616	5.2
97.02889	4.9
97.06531	9.2
97.10166	8.5
98.97592	6.1
99.04454	1.5
101.02406	1.0
103.03918	1.4
104.10727	1.2
105.07043	7.1
107.04958	1.3
107.08601	10.2
109.02911	2.6
109.06511	2.3
109.10158	12.7
110.97556	1.1
111.08067	1.9
116.07130	1.3
116.98586	1.3
117.06973	4.6
119.08561	3.9
121.06563	1.1
121.10125	1.2
123.04368	1.8
123.08118	1.1
123.11692	1.0
125.09631	7.5
127.03928	1.7
131.00160	2.3
131.08585	1.0
133.10127	5.6
135.04369	1.4
135.08041	3.9
137.05997	4.4
137.09538	1.7
139.11174	1.1
140.07086	1.5
143.08572	2.0
145.04945	1.4
145.06245	0.8
146.05988	0.9
149.01219	2.3
149.09549	1.1
151.11168	2.3
153.09122	4.2
156.03635	2.1
158.99632	1.6
161.09641	5.2
163.03926	2.3
171.08080	0.9
171.10167	2.3
173.02328	1.3
177.00696	0.9
179.10670	4.2
189.09193	6.8
189.11174	5.0
197.11664	2.3
201.00537	1.0
206.35107	1.0
207.10202	6.2
215.07098	2.9
219.01810	2.6
224.08057	5.9
224.58261	2.2
225.11185	20.8
227.12798	14.7
229.14368	1.1
237.02745	1.9
243.12346	4.3
245.13725	2.9
251.15337	0.9
259.09695	6.1
271.15341	1.3
281.13821	21.2
297.11765	1.3
299.14902	100.0
305.10721	10.7
305.60846	10.7
306.10791	4.2
317.15936	17.9
323.08176	1.4
341.11319	1.9
352.17508	1.1
373.13864	0.9
393.11902	1.3
455.12076	4.4
474.89511	1.0
482.18848	1.8
496.25748	1.9
514.19208	3.3
514.27405	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	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16724	0.5
53.03947	2.6
54.32885	0.5
55.01867	2.8
55.05259	0.9
55.05509	9.8
57.03434	8.1
57.07067	1.9
58.95502	0.5
61.02927	15.5
65.03940	1.3
67.05505	27.1
69.03445	5.8
69.07066	10.1
71.01357	0.7
71.05000	2.7
71.08622	1.4
73.02917	5.7
74.60696	0.5
75.04478	1.2
77.51046	0.5
79.05493	34.1
81.03419	5.6
81.07056	29.4
83.05000	2.6
83.08616	6.1
85.02902	13.0
85.06539	2.7
87.04470	0.7
91.03963	7.5
91.05479	30.9
93.07042	44.7
94.20184	0.6
95.04960	3.9
95.08604	20.9
95.69553	0.6
97.02895	10.0
97.03497	0.9
97.06509	3.7
97.10168	2.3
98.97591	0.6
99.04484	1.7
99.08088	2.1
101.02336	1.1
103.03950	0.8
103.05483	1.0
104.62083	0.5
105.04534	0.9
105.07032	32.6
107.04974	1.2
107.08594	27.7
109.02881	1.5
109.06522	1.8
109.10157	9.2
111.04420	1.1
111.08100	1.2
113.09631	0.8
115.03931	0.7
115.05447	0.8
117.07011	9.9
119.04962	0.9
119.08581	31.1
120.24555	0.5
121.06550	1.3
121.10148	25.6
123.08054	1.8
123.11720	2.7
125.09605	1.1
127.03899	2.8
128.06235	1.2
129.05505	0.8
129.07002	7.8
130.07788	0.6
131.08577	16.5
133.06459	0.7
133.10129	27.8
135.08047	2.1
135.11688	21.4
137.05951	1.3
137.09641	1.2
141.06989	1.6
142.07767	1.3
143.08551	7.4
145.04967	1.3
145.06476	1.0
145.10117	14.9
147.08049	1.5
147.11690	24.4
149.09605	2.2
149.13268	14.0
151.11217	1.0
155.08571	1.9
156.09317	0.8
157.10120	8.7
159.08008	0.8
159.11684	13.1
161.09616	1.7
161.13254	21.7
163.07532	0.6
163.11176	2.2
163.14818	5.6
165.12724	0.7
167.08632	1.4
167.10617	0.6
169.10130	1.7
171.11681	9.5
173.11784	1.2
173.13254	9.2
175.11183	2.3
175.14806	11.1
177.12720	1.6
177.16281	0.6
181.10141	0.8
183.07947	0.6
183.11696	2.2
184.07350	1.1
185.09659	1.1
185.13255	9.3
187.14844	2.5
189.12720	2.6
189.16423	0.9
193.10153	0.7
193.12112	0.8
195.11699	0.9
197.13295	1.3
199.14828	4.7
201.16394	1.3
203.14305	1.2
207.13718	1.2
209.13271	1.0
211.11256	1.1
211.14833	1.0
213.16451	1.6
215.17963	1.7
217.15932	1.1
217.19550	2.5
221.15358	0.9
225.12744	0.7
231.17444	1.1
231.21074	4.7
237.16289	0.6
241.19507	20.1
257.18991	1.9
259.20575	48.5
261.22256	0.6
271.20572	1.2
273.22083	0.8
275.20139	0.8
277.21643	7.3
283.20605	0.8
301.21609	1.1
313.21640	0.8
315.23184	0.6
325.21423	1.2
333.24271	8.1
337.21799	0.6
339.23196	1.1
349.24146	3.6
351.25287	100.0
352.25443	0.6
361.23917	0.9
363.25272	2.5
365.27020	0.8
367.22748	2.2
375.25262	2.5
385.23709	1.6
386.98468	0.6
387.25293	1.4
403.24710	1.7
405.26251	1.0
417.26245	2.1
423.25351	0.9
429.26196	1.5
441.26450	4.4
448.34848	0.6
459.27325	4.3
477.28229	3.4
495.29517	4.5
513.31335	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	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01868	1.3
55.05512	8.2
57.03444	5.4
57.07067	1.9
61.02929	11.4
65.03928	0.9
67.05507	19.9
69.03429	4.6
69.07073	6.4
69.28104	2.2
69.28513	4.5
71.01324	0.9
71.04997	2.4
71.08663	0.9
72.06161	0.9
73.02920	5.0
74.65098	0.8
79.05061	1.6
79.05498	24.6
81.03417	3.0
81.07060	24.3
83.04980	1.5
83.08616	3.2
85.02908	11.8
85.06564	1.8
87.04536	0.8
91.03963	5.5
91.05485	32.5
93.07047	37.1
95.04977	2.9
95.08602	15.6
97.02896	8.9
97.06557	2.7
97.10159	1.7
98.20783	1.6
99.04468	1.0
99.08090	2.4
101.02391	0.9
103.05488	1.0
105.07036	31.7
107.05031	1.1
107.08601	22.4
109.06527	1.6
109.10155	7.3
111.08058	0.9
115.03951	1.0
117.07028	10.8
119.08589	32.2
121.10148	17.6
123.11723	2.5
127.03926	2.2
128.06235	1.9
129.07010	7.8
131.08580	13.9
133.06493	0.9
133.10135	26.2
135.08040	2.2
135.11696	15.9
141.07018	1.1
142.07796	1.0
143.08557	7.5
145.05058	0.9
145.06407	0.9
145.10135	15.3
147.08078	1.6
147.11699	22.4
149.09645	2.2
149.13280	10.9
155.08568	2.5
157.10129	7.8
157.48445	0.8
158.01419	0.8
159.11682	14.7
161.09619	1.3
161.13266	20.2
163.11188	2.0
163.14839	3.1
167.08588	0.9
169.10147	3.3
171.08112	0.9
171.11656	11.2
173.09581	0.9
173.13261	8.5
175.11188	2.3
175.14842	10.2
181.10114	1.0
183.11707	1.9
185.13243	11.1
187.11223	1.2
187.14827	2.8
189.12750	2.7
197.13271	1.3
199.14856	5.6
201.12842	1.0
203.14392	2.2
213.16310	1.4
215.18027	1.6
217.15965	1.0
217.19614	1.8
231.17409	1.6
231.21101	3.9
239.18073	0.8
241.19499	18.3
259.20578	53.8
261.22058	1.9
275.20099	1.0
277.21619	2.3
301.21732	1.5
313.21640	1.3
325.21472	1.6
333.24292	2.5
343.91861	0.9
349.24066	4.4
351.25296	100.0
361.24133	1.1
363.25146	2.0
367.22733	2.6
375.25232	2.4
377.98279	0.9
385.23727	1.3
387.25186	1.3
403.24725	1.4
417.26413	1.6
417.73108	1.0
429.26236	2.4
441.26273	6.6
459.27371	4.4
477.28357	3.9
495.29205	5.6
513.30902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3058
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03934	2.4
55.01870	1.6
55.05269	0.8
55.05510	9.9
56.10663	0.6
57.03442	5.1
57.07067	1.9
59.63090	0.6
61.02922	13.2
62.63820	0.6
65.03929	1.1
67.05502	25.8
67.42860	0.6
67.67940	0.7
69.03423	5.3
69.07066	8.6
69.98763	1.9
69.99172	1.3
71.04977	2.5
71.08612	1.4
73.02907	4.8
74.26054	0.6
75.04430	0.8
77.58629	0.7
79.05489	32.0
81.03418	3.3
81.07056	30.6
81.79991	0.7
83.04961	2.0
83.08604	5.2
85.02907	10.0
85.06531	2.0
91.03949	6.0
91.04888	1.5
91.05472	28.8
93.07040	46.6
95.04976	3.3
95.08601	19.7
97.02895	7.2
97.06501	2.2
97.10184	1.6
98.20842	0.8
99.04438	0.9
99.08089	2.9
99.85941	0.6
101.02405	1.2
105.04576	0.8
105.07028	27.8
107.04963	1.3
107.08591	24.1
109.02888	1.1
109.06520	0.8
109.09467	0.9
109.10155	9.2
111.08064	1.9
113.09637	0.9
115.05458	0.9
117.07026	8.3
119.08578	31.9
121.10135	23.4
123.08036	1.0
123.11695	2.0
125.09635	1.0
127.03923	2.0
128.06226	1.0
128.31398	0.7
129.05504	0.8
129.06989	6.8
131.08566	13.9
133.06470	1.0
133.10121	23.9
135.08064	1.2
135.11693	22.3
137.09621	1.4
138.35222	0.6
141.07083	0.8
142.07784	1.4
143.08539	5.9
145.10114	12.6
147.08034	1.3
147.11681	22.3
149.09598	2.3
149.13252	13.0
151.11160	1.3
153.01828	1.4
155.08527	1.3
157.10129	8.3
159.11691	13.6
161.09622	0.9
161.13243	19.9
163.11171	2.6
163.14871	5.3
165.12735	1.0
169.10110	1.7
171.11702	9.4
173.09457	0.9
173.13251	8.6
175.11217	1.3
175.14824	8.7
177.12775	2.6
177.16454	0.8
179.14262	4.3
183.11681	1.9
184.07394	0.9
185.13223	8.2
187.14764	3.6
189.12778	2.8
195.11761	0.9
199.14868	3.9
201.12637	0.7
201.16357	0.8
203.14354	1.1
211.11072	0.8
211.14841	0.9
212.15640	0.8
213.16411	2.9
213.71581	0.7
215.17961	1.2
217.19482	1.7
221.15324	1.2
227.14282	0.8
231.17496	1.5
231.21091	4.9
241.19501	18.9
243.21303	0.7
257.19037	1.3
259.20566	45.6
261.22131	1.0
271.20575	1.3
275.20157	1.5
277.21640	8.9
301.21609	1.8
303.22992	0.6
313.21915	1.0
315.23209	1.0
325.21582	1.8
333.24237	7.7
349.23642	2.5
351.25284	100.0
352.25687	1.1
363.25229	1.8
367.22693	2.6
375.25269	2.9
385.23621	1.5
387.25204	0.9
401.20184	0.8
403.24850	1.2
421.25497	0.9
429.26703	0.8
441.26401	6.0
459.27271	2.5
477.28500	2.8
495.29483	5.3
513.30682	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3061
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
50.69301	0.6
53.03938	2.0
54.94218	0.7
55.01877	0.7
55.05508	7.1
57.03444	5.8
57.07054	1.6
61.02642	0.8
61.02929	12.3
65.03928	0.7
67.05506	21.6
69.03426	4.4
69.07064	7.1
69.38452	4.9
71.04983	1.7
73.02924	3.9
75.04473	1.0
79.05493	27.7
81.03426	2.9
81.07056	25.0
83.05004	1.4
83.08627	3.9
85.02911	11.2
85.06532	1.8
87.53177	0.7
91.03951	5.6
91.05481	23.3
93.07046	35.3
94.36860	0.6
95.04984	2.9
95.08608	17.8
97.02903	7.0
97.06533	1.7
97.10152	1.2
99.04442	0.9
99.08089	1.9
101.02392	0.7
101.06040	0.6
105.04505	0.7
105.07030	25.4
107.04949	1.5
107.08598	22.7
109.02891	0.6
109.06541	1.3
109.10158	8.9
111.08075	1.2
113.09636	0.6
117.07014	7.5
119.08586	27.6
121.06520	0.9
121.10146	19.1
121.11030	1.0
123.08089	1.0
123.11717	1.9
125.09621	0.9
127.03937	1.6
128.06198	0.6
129.05464	0.8
129.07001	5.3
131.08574	12.1
133.06470	1.2
133.10129	22.0
135.04388	0.6
135.08058	1.4
135.11697	20.8
137.09648	0.7
141.06992	1.2
143.08565	6.1
145.04961	1.0
145.10133	12.9
147.08060	1.0
147.11691	22.1
149.09634	1.8
149.13260	12.4
155.08577	1.2
157.10124	5.9
159.11696	11.8
161.09644	1.4
161.13254	17.2
163.11185	1.7
163.14832	5.4
169.10117	1.1
171.08020	0.8
171.11705	6.8
173.07573	0.6
173.13272	8.1
175.11238	1.8
175.14822	10.8
177.12796	1.8
181.10118	1.0
183.11736	1.6
185.13269	7.7
187.14818	2.3
189.12743	1.8
189.16341	0.8
191.14403	0.8
197.13229	1.1
199.14819	4.8
201.16321	0.8
203.14330	2.1
207.13889	0.8
213.16444	1.8
215.17924	1.0
217.15907	0.8
217.19556	2.5
231.17432	1.7
231.21021	3.6
241.19514	17.6
243.21146	0.7
259.20584	42.9
271.20673	1.5
272.50348	0.7
275.20074	0.8
277.21646	7.9
301.21683	1.6
309.20407	0.9
313.21527	0.7
315.23059	0.6
319.94882	0.6
325.21585	0.8
333.24222	7.5
343.22635	1.4
349.23642	2.6
351.25302	100.0
352.25854	0.8
361.23721	0.7
363.25351	2.8
367.22839	1.9
375.25415	3.4
385.23639	1.7
393.25897	0.7
403.24860	1.0
417.25995	1.0
429.26230	1.2
435.27362	0.7
441.26315	4.7
459.27438	3.6
477.28577	3.4
495.29425	3.9
513.30414	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01859	1.7
55.05509	7.9
57.03418	3.7
61.02932	11.1
67.05505	18.7
69.03414	4.4
69.07056	6.6
71.00773	2.0
71.01101	2.7
71.04959	2.2
73.02900	4.0
79.05492	24.2
81.03418	2.0
81.07052	22.5
81.93415	1.7
83.04965	2.3
83.08593	4.3
85.02896	12.6
85.06547	2.6
91.03939	6.5
91.05480	24.2
93.07048	31.4
95.04986	4.2
95.08604	13.9
97.02871	7.4
103.05480	1.7
105.07043	25.8
107.04906	1.7
107.08585	19.0
109.06465	1.9
109.10152	5.0
117.07001	8.5
119.08570	22.9
121.10155	17.0
123.11721	3.1
125.43989	1.5
127.03960	2.0
129.07028	8.7
131.08566	14.3
133.10135	21.0
135.11679	16.3
143.08566	6.6
145.10123	14.3
147.11696	22.9
149.13274	9.0
155.08574	2.4
157.10175	8.4
159.11723	10.1
161.09601	2.4
161.13249	19.3
163.14742	4.0
169.10098	3.0
170.05812	1.6
171.11670	8.3
173.13246	8.9
175.11240	2.2
175.14806	11.9
177.12686	1.7
185.13228	7.2
187.14825	3.4
199.14818	4.7
213.16301	2.4
231.21046	3.6
241.19499	20.0
252.09059	1.7
257.19037	2.9
259.20596	48.6
259.23349	2.5
261.22183	1.6
269.57617	1.8
271.20419	2.3
277.21744	3.0
301.21552	1.8
333.23975	1.9
349.23645	4.9
351.25302	100.0
363.25174	3.2
367.22711	3.6
375.25229	3.4
385.23560	2.2
417.26367	2.5
441.26361	9.7
459.27350	5.3
472.00366	1.6
477.28143	6.2
495.29337	7.3
509.73413	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.8
56.71649	0.3
57.07077	12.5
58.06566	1.0
67.05503	1.5
69.07070	2.0
70.06594	9.8
71.08633	5.7
71.56774	0.3
73.02898	1.1
78.26204	0.2
79.05460	0.4
81.07045	2.4
82.66757	0.2
83.08625	1.6
85.10200	2.8
87.04457	0.4
88.07633	14.4
89.06028	1.9
95.08614	2.2
97.10133	1.1
102.09184	10.0
106.08653	0.5
109.10149	0.8
111.11668	0.3
121.10121	0.4
133.08592	0.9
177.11278	0.5
212.23753	0.4
228.23235	4.1
256.26361	35.6
274.27368	3.1
283.26321	37.9
311.29456	4.1
327.20175	1.2
395.50967	0.3
440.22150	0.3
512.50397	100.0
513.50720	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	7.4
67.05489	0.9
69.03448	0.8
69.04520	0.8
69.71183	1.9
69.71598	3.8
70.06596	2.4
71.34157	0.8
72.08128	0.9
72.12691	0.8
79.05515	0.8
81.07072	1.0
83.04971	1.1
84.96039	2.6
85.02898	1.9
97.02893	1.0
98.97587	32.4
105.07030	1.0
106.06396	0.9
107.08618	1.5
110.97561	4.5
112.99126	2.4
116.98628	10.6
123.11710	1.4
124.99152	1.0
128.98639	2.6
129.10307	0.8
131.00192	3.1
134.99693	1.5
141.02264	3.0
143.00215	2.2
147.03166	0.8
156.32828	0.9
158.99698	6.7
159.03326	3.1
161.01292	1.0
173.01222	1.4
177.00769	4.2
183.03253	3.2
184.04134	1.6
189.00729	0.9
191.02269	1.6
199.06558	1.6
201.00829	1.0
201.04359	4.0
205.05353	0.9
213.07907	1.2
219.01717	7.0
221.08562	1.4
223.06470	3.0
237.02818	4.9
239.09595	3.9
241.07660	2.4
241.30325	0.9
247.10001	1.2
249.08061	1.1
257.10562	2.1
265.07809	1.7
265.11166	13.6
273.54733	0.8
283.08978	1.5
283.12253	9.6
289.11108	2.1
301.13287	3.2
305.10873	1.1
307.12143	16.1
319.28036	0.9
321.13809	1.6
325.13235	8.9
343.14432	1.9
349.13425	2.9
355.14386	0.8
367.14438	2.6
409.15814	1.0
427.16449	29.0
445.17493	30.4
468.19684	0.9
469.07916	1.0
469.18179	14.5
487.18677	4.8
495.18701	1.0
513.17419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.3
55.01867	8.7
55.05513	28.4
57.03440	20.6
57.07067	3.1
60.36238	2.5
61.02921	16.7
63.09523	2.5
64.65488	2.9
67.05176	4.9
67.05505	55.8
69.03435	38.8
69.07072	33.6
71.04986	10.1
71.08624	2.7
73.02910	10.2
73.26992	2.5
74.69806	3.0
79.05495	55.3
81.03419	46.0
81.07060	74.4
83.04990	15.0
83.08618	12.1
85.02907	33.8
85.06531	5.6
91.03965	8.5
91.05480	57.9
93.07050	56.7
94.25163	2.6
95.04986	16.1
95.08611	37.8
97.02898	28.0
97.06530	15.1
97.10154	8.5
98.98507	4.7
99.04458	9.4
99.08078	3.6
101.02364	3.0
102.44606	3.0
103.03957	4.6
105.07036	65.2
107.04945	11.1
107.08592	50.6
109.02885	15.6
109.06513	10.6
109.10150	28.1
111.04434	4.9
111.08089	5.2
117.07030	24.2
119.08585	52.2
121.06522	5.0
121.10103	21.6
123.04414	4.4
123.08064	9.5
123.11706	9.0
125.09635	11.1
127.03927	18.2
129.05479	6.5
129.06999	9.2
131.04825	4.3
131.08574	38.6
133.06487	3.3
133.10143	41.8
135.08075	10.0
135.11749	13.3
137.09613	6.8
141.06992	4.6
143.08566	11.6
145.05022	6.3
145.10133	37.7
147.08032	6.6
147.11662	23.7
149.09624	18.6
149.13254	8.7
151.11121	4.4
155.08557	8.4
155.10643	2.9
157.10127	10.5
159.08107	4.3
159.11710	31.7
161.09608	5.6
161.13219	8.9
163.11211	9.5
165.12814	3.9
169.10121	7.3
171.10289	4.1
171.11682	9.2
173.04482	9.1
173.09637	4.3
173.13208	15.1
175.11229	6.8
177.12776	5.3
183.06538	4.3
183.11740	10.0
185.13255	8.2
187.11211	6.2
187.14758	5.0
189.11104	5.8
189.12805	4.6
195.11850	3.2
195.13795	4.7
197.13246	5.3
215.17979	4.6
227.12660	5.1
229.14383	3.0
229.19525	5.3
239.17868	13.0
247.20593	7.4
257.19058	29.9
269.17404	4.8
273.18478	3.2
275.20068	91.7
293.21088	6.5
317.17361	3.1
329.21167	3.3
331.22659	5.3
339.18417	4.2
349.23740	100.0
351.25195	3.1
352.25485	9.2
367.24893	4.9
373.23575	4.3
377.23233	4.8
391.24841	6.0
401.23367	2.6
419.24213	4.8
431.26105	7.8
438.35443	2.9
449.27252	12.0
457.25568	5.5
475.26672	9.3
493.28247	16.8
511.29034	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	511.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50702	2.5
53.03932	6.2
55.01868	8.1
55.05315	1.8
55.05516	21.5
57.03438	16.5
57.32475	2.6
58.10148	2.1
59.04976	3.1
61.02931	17.2
67.05504	50.6
69.03434	33.3
69.07069	33.0
69.38657	12.7
69.39077	5.8
71.04982	6.8
71.08610	2.8
73.02898	7.0
79.05068	3.4
79.05492	46.5
81.02985	3.7
81.03421	38.8
81.07062	47.5
83.04967	8.7
83.08605	11.0
85.02509	2.0
85.02913	22.4
91.03936	7.8
91.05483	40.5
93.07043	36.7
95.04963	9.1
95.08603	28.8
97.02386	2.4
97.02905	25.0
97.06522	12.2
97.10170	13.4
99.04469	10.8
99.08064	3.4
101.02403	3.0
103.03910	3.9
105.06404	3.0
105.07035	41.2
107.04946	9.0
107.08586	37.1
109.02910	10.5
109.06504	9.9
109.10152	18.4
111.04424	2.9
111.08043	2.8
115.05442	2.8
115.11221	2.0
117.07032	18.1
119.08578	31.2
121.06493	6.4
121.10164	16.2
123.08096	3.7
123.11677	3.5
125.09610	9.6
127.03930	14.2
129.05484	2.7
129.07004	8.5
131.08574	22.3
133.06476	3.7
133.10130	28.7
135.08029	8.1
135.11676	11.3
137.09618	5.1
139.11121	2.2
141.07030	2.7
143.08528	7.0
145.04953	3.6
145.06493	3.6
145.10118	24.0
147.11691	20.9
149.09639	12.6
149.13249	5.6
151.11208	5.6
153.09161	2.8
155.08539	4.1
157.10107	8.5
159.08060	2.5
159.11690	19.0
161.09702	3.2
161.13200	7.1
163.11182	14.0
169.10132	6.8
171.10217	4.7
171.11687	5.6
173.04417	6.0
173.11885	3.3
173.13252	9.9
175.11414	2.1
177.12759	2.8
179.14331	5.6
183.06540	5.6
183.11716	6.8
185.13211	3.7
187.11154	2.6
187.14841	2.7
189.11244	10.0
193.12364	2.7
197.13287	4.7
205.12051	2.1
213.16339	2.5
227.12778	9.3
229.14307	7.5
229.19527	10.4
239.17944	8.6
247.20532	5.3
257.18988	19.9
273.18570	3.6
275.20068	95.1
293.21100	8.4
331.22784	2.6
339.17819	2.7
349.23737	100.0
352.25482	7.0
391.24759	4.1
413.21490	6.1
419.24243	4.6
449.27554	2.5
457.26083	4.8
475.27014	5.0
493.27933	11.7
511.29068	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	13.2
55.01882	11.0
55.02087	1.9
55.05262	3.5
55.05512	38.6
57.03437	21.4
59.04981	2.8
61.02930	21.4
61.06434	2.2
63.22646	2.2
65.03896	3.0
67.05504	58.9
67.70892	2.4
69.03429	36.5
69.07068	42.7
69.28093	20.5
71.04971	9.5
73.02922	13.5
79.05488	55.3
81.03416	47.0
81.07057	60.6
83.04986	11.0
83.08624	13.9
85.02908	34.4
91.03944	9.1
91.04978	4.0
91.05481	56.2
91.47048	2.2
93.07046	48.3
95.01299	2.7
95.04954	12.6
95.08607	36.8
97.02894	35.7
97.06554	13.4
97.10178	19.0
98.20736	2.8
99.04453	9.2
101.02363	7.9
102.68672	2.2
103.03923	3.5
103.05478	3.0
105.07025	58.8
107.04949	12.5
107.08596	51.8
109.02882	13.1
109.06503	11.7
109.10168	19.4
111.04411	4.8
111.08055	6.4
111.36155	2.1
115.03903	3.8
117.07040	22.2
119.08582	40.2
121.06524	5.6
121.10145	20.4
123.08073	6.8
123.11726	4.8
125.09643	22.4
127.03903	22.0
128.06204	2.4
129.05421	2.4
129.06981	6.8
131.08562	30.1
133.06508	5.1
133.10123	41.7
135.08014	9.6
135.11731	12.1
137.05977	3.5
137.09581	5.1
139.11198	2.5
141.07013	5.4
143.08562	7.9
145.04945	3.6
145.10129	30.9
147.08051	4.3
147.11684	21.2
149.09607	16.9
149.13246	7.6
151.07588	3.0
151.11223	3.6
153.09117	2.6
155.08597	4.8
157.10072	9.2
159.08014	3.7
159.11678	20.7
161.13243	9.0
163.11150	13.9
165.09167	2.8
165.12669	3.3
169.10092	4.8
169.89537	2.6
171.10143	6.6
171.11674	11.7
173.04433	7.8
173.09666	3.9
173.11835	4.0
173.13205	10.9
175.11212	3.5
177.12726	4.4
179.14275	5.3
183.06604	5.3
183.11682	8.1
185.13269	3.6
187.11189	4.8
187.14790	2.8
189.11218	21.5
193.12192	2.4
195.13850	2.8
197.13246	5.3
199.14763	3.6
201.07562	3.9
201.12692	3.3
203.14334	2.1
203.77115	2.1
209.13168	2.6
213.16289	3.6
227.12798	15.0
229.19490	4.8
239.17914	10.8
247.20506	6.4
257.19006	23.1
275.20078	100.0
276.20074	3.3
293.21088	9.1
329.20709	2.4
331.22617	9.1
349.23724	94.5
367.24930	4.5
373.23691	3.4
377.23074	3.5
382.91705	2.4
383.21970	3.7
391.24820	6.9
419.24103	3.2
431.26315	6.5
449.27399	5.1
457.25449	4.1
475.26859	4.3
493.28525	10.8
511.29260	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.9
55.01862	8.3
55.05508	28.4
57.03433	18.1
57.64615	2.5
61.02929	12.7
62.06079	2.6
65.03939	5.3
67.05507	54.9
69.03146	2.9
69.03436	31.1
69.06738	2.2
69.07073	29.0
69.53159	17.5
71.04993	9.2
71.08633	4.2
73.02909	9.6
78.40468	2.3
79.05499	42.2
81.02986	3.6
81.03423	44.8
81.07062	62.7
83.04971	7.7
83.08611	9.9
85.02908	23.8
85.06538	4.3
91.03952	7.0
91.05477	42.4
92.05876	2.4
93.07040	50.1
95.04960	10.4
95.08606	34.6
96.30714	2.1
97.02889	23.4
97.06539	10.1
97.10162	8.3
98.98470	4.9
99.04493	11.4
99.08109	5.9
101.02389	2.8
103.03936	7.8
105.06319	2.5
105.07035	45.2
106.07330	2.8
107.04947	6.9
107.08604	34.2
109.02877	11.1
109.06517	7.1
109.10160	20.0
111.04436	4.1
111.08083	3.9
115.05448	3.4
117.07026	17.9
119.08596	39.9
121.06508	5.5
121.10159	20.4
123.08070	5.9
123.11719	8.0
125.09688	6.5
127.03926	16.6
128.06226	4.0
129.05501	3.5
129.06999	9.2
130.07756	3.5
131.08569	30.7
131.09521	3.7
133.06496	4.2
133.10132	30.2
135.08026	6.0
135.11697	10.8
137.09618	5.8
141.06973	3.0
143.08560	10.6
145.05003	3.2
145.06487	5.2
145.10139	26.1
147.11690	19.3
149.09645	14.1
149.13254	7.7
151.11150	4.8
155.08553	5.1
157.10114	7.2
159.11705	26.8
161.09596	6.8
161.13245	6.6
163.11136	12.1
165.12718	3.5
169.10144	7.8
171.10271	2.7
171.11699	8.9
173.04463	7.8
173.09570	2.3
173.11794	2.5
173.13281	9.7
175.11145	7.1
177.12753	4.1
178.59834	2.4
179.14281	3.7
181.49286	3.0
183.06531	5.2
183.11713	8.6
185.13251	3.5
187.11221	3.6
187.14867	4.2
189.11195	4.5
195.11682	2.4
195.13785	4.5
197.13324	4.4
201.07523	2.9
211.11244	3.0
215.17747	3.1
227.12791	6.0
229.14351	3.0
229.19470	9.0
239.17973	10.7
247.20604	10.7
257.19046	23.4
269.17432	3.3
275.20059	79.2
293.21140	3.7
308.90674	2.4
331.22815	3.8
347.22235	5.0
349.23743	100.0
352.25558	10.5
353.91003	2.4
360.73093	2.5
367.24829	5.4
373.23520	2.7
377.23471	4.1
391.24792	4.9
413.21707	6.5
432.22083	6.1
449.27295	3.9
457.25729	7.4
475.26465	9.4
493.27917	15.3
511.29153	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	8.7
57.03435	2.3
57.07079	61.9
61.02945	4.9
64.20269	1.9
67.05514	20.3
69.03428	4.9
69.07064	12.5
71.04980	2.0
71.08236	2.6
71.08635	50.4
71.56709	3.6
73.02912	2.1
74.19191	2.5
75.04485	2.7
79.05494	3.9
81.03425	3.6
81.07053	27.7
83.08628	20.1
85.02901	11.4
85.10187	25.5
91.03956	2.2
95.08605	41.8
97.02894	7.6
97.10163	10.7
99.11738	2.5
104.10728	2.6
105.07042	2.7
107.08592	2.0
109.02849	2.9
109.10157	22.0
111.11756	2.8
118.53865	1.9
123.11721	7.8
125.13271	3.2
127.03942	9.3
137.13240	4.1
145.04987	7.2
165.16423	2.0
180.48212	2.3
184.07317	4.3
221.22644	4.3
239.23691	50.5
239.26085	3.7
257.24774	5.6
308.47247	2.3
313.27362	100.0
331.28473	23.4
374.88007	2.0
383.27914	16.5
401.28958	39.2
475.33890	4.1
510.28149	2.5
510.35516	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30396	2.6
53.03943	2.9
55.01844	4.1
55.05514	24.9
56.05026	2.9
56.96573	3.4
57.03428	9.3
57.07066	12.0
61.02905	5.4
62.65612	3.1
64.03600	2.7
65.03945	3.6
67.05501	38.0
69.03431	13.1
69.06725	4.7
69.07069	64.7
69.63671	16.3
71.04992	5.5
71.08638	3.5
73.02911	5.4
79.05499	20.8
81.03410	11.8
81.07057	88.0
83.04986	7.6
83.08619	34.2
85.02916	25.9
85.06539	9.2
87.00822	3.9
87.61006	2.6
91.05467	11.3
92.93052	3.4
93.07050	23.7
95.04956	12.5
95.08607	100.0
97.02888	11.8
97.06528	18.0
97.10175	23.3
98.20707	3.6
98.97564	6.4
99.04420	3.2
99.08122	6.9
103.05436	3.5
104.76723	2.6
105.07028	12.3
107.08594	17.8
109.02850	6.4
109.06530	6.9
109.10155	61.4
111.04453	3.5
111.08083	3.6
111.11713	21.0
113.09637	4.1
117.06994	3.1
119.08591	11.5
121.10151	15.0
123.04469	2.7
123.11696	36.8
125.09620	4.1
125.13295	23.0
125.73180	2.6
127.03942	14.7
129.06972	5.3
131.08549	9.3
133.10114	7.7
135.08081	3.1
135.11676	12.9
137.06049	3.2
137.13232	28.9
139.14902	3.8
145.04945	9.9
145.10100	7.9
147.08066	3.3
147.11684	5.7
149.05981	3.2
149.13278	9.1
151.14816	17.3
155.14291	3.8
157.10106	3.0
161.09592	5.0
163.05983	6.1
163.11234	4.8
163.14867	5.0
165.16402	9.3
169.15878	11.1
171.11700	2.8
173.13170	2.9
177.07848	3.5
177.16447	4.6
179.17973	7.0
183.17485	3.9
189.09224	3.2
193.12117	2.8
193.19589	3.0
205.19519	3.8
213.00621	3.2
219.21106	3.5
225.22054	4.2
227.12822	4.9
249.25827	3.9
250.09618	11.6
273.18546	4.4
275.27246	8.3
277.49023	3.4
289.05176	7.5
291.19687	5.0
293.28400	35.0
302.17548	5.4
303.17905	8.3
311.29242	4.8
334.24316	2.7
335.20538	9.5
375.17145	2.8
379.23215	5.1
430.26089	13.2
447.26004	3.2
448.26978	8.9
491.26880	6.2
509.28778	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92977	2.2
53.03952	11.4
55.01874	12.6
55.05515	29.3
57.03430	19.8
61.02924	5.1
65.03928	3.8
67.05503	60.1
69.03077	4.0
69.03435	55.4
69.07069	18.2
70.91838	7.3
71.01375	4.1
71.04996	20.5
73.02900	2.3
79.05492	41.1
79.25613	2.6
81.03419	100.0
81.07058	52.8
83.04997	19.2
83.08624	12.8
85.02905	21.6
85.06539	8.5
91.05476	64.2
93.07043	39.2
95.04971	17.2
95.08610	21.7
97.02890	49.2
97.06538	21.3
97.10165	9.8
99.04459	13.1
99.08086	3.0
105.04526	2.6
105.07034	51.7
107.04961	9.2
107.08591	44.2
109.02887	28.8
109.06536	14.5
109.10158	47.8
111.04480	6.4
111.08098	5.0
117.07013	11.6
119.04990	3.8
119.08601	16.0
121.06496	4.4
121.10147	9.4
122.03879	2.3
123.04404	2.8
123.08081	8.8
123.11691	11.4
125.09635	10.8
127.03932	26.7
127.07537	3.6
128.06242	3.1
129.05496	3.4
129.06999	8.1
131.08588	15.2
133.06511	4.5
133.10127	85.1
135.08044	7.0
135.11676	5.1
137.05995	8.6
137.09593	3.5
143.08588	7.2
145.10117	8.2
147.04445	3.7
147.08038	7.6
147.11736	6.3
149.09615	7.6
151.11179	57.5
153.09081	2.6
157.10146	5.9
159.11765	3.6
161.09592	9.0
163.11157	4.3
167.28966	2.3
169.12222	18.1
171.11679	2.8
173.04445	72.9
173.09692	2.9
175.11116	3.1
179.10706	6.8
183.06531	4.0
185.09572	2.7
187.11438	2.7
189.11227	7.8
191.10670	3.5
193.12312	3.2
199.11351	2.5
215.12831	23.0
217.12282	2.4
227.12817	6.1
233.11635	3.2
233.15442	2.8
234.11922	2.8
250.14513	2.7
251.14529	4.7
253.14383	26.2
263.20065	7.3
269.11084	2.6
271.15308	5.2
273.18546	15.7
291.19504	19.5
307.19836	2.6
309.20709	3.9
337.23792	5.6
347.22195	5.0
365.23190	10.7
397.18533	4.8
435.23587	4.3
491.26370	7.4
509.27716	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	509.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	23.2
55.01873	16.1
55.05511	54.4
56.96543	2.8
57.03435	30.7
61.02922	6.4
61.37138	2.4
62.20604	2.3
67.05172	4.6
67.05506	65.9
69.03082	4.6
69.03432	58.4
69.07072	22.8
69.60283	17.0
71.01370	3.5
71.04994	20.2
73.02908	6.3
79.05495	61.1
80.05840	2.2
81.03419	98.4
81.07053	54.6
83.01397	3.3
83.05002	20.4
83.08631	24.4
85.02896	27.3
85.06558	6.2
87.04353	2.3
88.94236	2.1
90.97797	2.4
91.03952	5.0
91.05482	58.4
93.07043	39.5
95.04968	22.4
95.05984	2.4
95.08608	25.7
97.02898	33.5
97.06536	25.5
97.10168	37.3
98.06866	3.4
98.21389	5.3
99.04463	16.3
99.08094	3.4
101.02357	4.1
103.03937	4.5
105.02001	2.8
105.07034	37.2
107.04946	21.4
107.08588	46.0
109.02888	23.1
109.06524	13.4
109.10155	21.3
111.04447	9.7
111.08086	8.3
113.02422	3.1
113.05985	4.4
115.05426	4.1
117.07014	25.6
119.04935	5.9
119.07781	4.3
119.08578	37.6
121.06507	13.6
121.10136	16.0
123.04465	4.3
123.08081	12.1
123.11692	5.8
125.09641	40.4
125.30241	2.5
127.03922	35.3
128.06190	3.9
129.05504	3.5
129.07027	12.3
131.08577	25.8
133.06490	8.7
133.10123	26.8
135.04448	3.2
135.08038	13.5
135.11700	8.2
136.50114	2.7
137.05986	15.6
137.09644	5.9
138.06314	3.1
141.06885	3.0
142.07741	3.8
143.08577	12.3
145.05014	5.7
145.06479	7.0
145.10101	19.9
147.08022	19.1
147.11714	8.2
149.09610	8.9
151.11179	8.6
153.09163	6.7
155.08566	3.2
157.10161	13.3
159.08051	9.4
159.11714	7.6
161.06024	3.4
161.09610	12.2
163.11206	9.2
165.09103	7.8
169.10149	3.5
169.12201	4.4
171.10263	6.3
171.11676	6.7
173.04446	53.0
173.09624	8.8
173.13261	4.7
175.07468	3.1
175.11180	6.8
177.09145	4.6
177.12784	3.4
179.10724	3.1
181.10065	3.1
183.06589	4.0
183.11656	4.2
185.09512	3.0
185.13254	3.9
187.14928	3.1
189.09285	6.2
189.11211	44.5
189.12729	4.1
191.10703	4.0
193.12297	7.1
201.12740	5.8
202.09731	2.8
215.09248	2.8
219.13792	4.4
221.15352	7.4
223.13333	6.7
227.12785	17.5
227.17812	3.2
229.12305	3.0
233.11713	6.3
233.15324	7.3
234.12117	5.9
245.19109	3.6
253.14439	6.1
255.17465	5.4
261.83185	2.9
263.20114	3.3
273.13770	3.3
273.18484	53.6
275.20203	4.1
283.15524	2.9
291.19550	52.2
311.16495	2.9
311.20016	2.8
315.19537	3.6
347.22141	18.7
353.21393	2.7
365.23212	10.2
368.25125	4.5
371.22397	3.0
375.21652	3.0
381.20523	3.3
389.23138	2.9
393.22751	2.8
407.24222	2.8
419.22778	4.4
435.24054	5.0
443.24731	3.1
445.16757	2.8
473.25287	3.9
491.26581	12.7
509.27753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.2
55.01859	8.9
55.05516	23.7
55.44519	2.3
57.03428	11.5
62.06093	14.9
62.60875	2.6
67.05504	40.1
69.03423	3.7
69.07069	30.7
69.23655	13.1
69.24082	11.9
70.06593	3.1
71.05000	3.7
71.08611	3.0
72.97217	2.5
79.05061	3.6
79.05489	36.6
81.03421	28.0
81.07056	37.9
82.06570	3.5
83.04965	7.3
83.08611	13.5
84.08138	9.9
85.02895	3.2
91.05476	37.8
93.07050	30.4
95.04958	18.9
95.08610	19.8
96.08102	2.6
97.02879	3.6
97.06527	62.1
97.10152	10.9
98.06055	4.5
98.06844	3.3
98.98475	23.4
105.07030	26.0
107.04931	8.7
107.08604	19.6
109.10168	8.9
111.08105	5.1
115.05439	2.8
117.07008	7.4
119.04906	4.1
119.08585	19.5
121.06474	5.7
121.10152	6.7
123.08055	5.9
123.11708	8.6
124.11193	3.5
125.09611	7.6
126.19620	2.8
126.69579	2.5
129.06969	6.4
131.08556	12.9
133.10168	12.6
134.79762	2.8
135.04385	2.7
135.11653	5.3
137.05983	27.9
142.02681	2.8
143.08513	4.9
145.10146	16.2
147.04420	3.4
147.11670	8.8
149.06020	3.3
149.09610	8.5
151.11194	8.2
153.09120	4.5
155.01036	7.0
157.10135	5.8
159.11694	4.8
161.06006	3.7
161.09579	3.1
163.11215	5.5
164.07094	3.7
165.12616	2.6
168.13904	3.7
173.13243	6.1
175.07405	3.1
175.11157	3.5
176.07022	2.6
176.10713	5.2
177.12787	4.4
183.10204	7.9
184.07317	5.1
187.11180	3.4
187.13155	4.6
189.09085	8.2
189.11276	4.5
193.12225	7.1
196.13373	8.9
198.05226	3.0
199.07607	3.1
204.10185	3.4
204.60146	2.9
205.10921	2.6
206.11702	5.1
209.02840	2.8
220.16934	4.0
227.12766	6.2
228.15958	3.0
229.19337	4.7
233.11734	17.7
243.15968	7.0
250.14368	5.0
257.18945	11.9
260.12927	5.0
267.13031	3.0
267.15906	61.7
269.17529	3.6
273.13531	2.9
275.20044	30.2
276.16150	6.0
293.13315	2.9
293.21075	7.3
302.17477	23.7
304.15402	3.0
307.09186	3.2
318.24231	10.2
331.22675	5.1
336.25131	4.7
346.19974	8.2
349.23767	100.0
349.28067	5.1
367.24777	9.7
374.16916	12.1
378.16833	3.7
392.18149	10.3
403.16959	3.3
404.14423	2.6
429.20377	25.5
430.25873	13.4
446.25143	7.9
447.21399	6.7
454.23633	5.1
464.26199	3.2
472.24472	33.2
490.25848	27.1
508.18195	4.1
508.29120	41.2
513.24890	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	508.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
55.01869	4.7
55.05511	12.0
57.03425	2.7
57.07060	0.9
59.04989	1.0
61.02918	1.1
61.31836	0.8
65.03934	1.4
67.05508	15.3
69.03429	1.6
69.07068	11.9
69.49890	5.6
71.04968	2.1
73.02908	1.5
75.58170	1.0
79.05497	17.0
80.06258	2.0
81.03429	4.9
81.07062	6.7
83.04964	1.1
83.08619	6.6
85.02892	2.3
91.05482	22.9
91.30373	0.8
93.07055	4.0
95.04980	6.5
95.08592	3.5
97.02908	1.0
97.06535	100.0
97.10162	5.7
105.07042	2.9
107.04959	4.2
107.08577	3.6
108.05728	2.8
109.06490	1.7
109.10158	7.1
111.08050	1.2
113.06015	2.4
115.05446	0.8
117.07033	2.1
118.23743	1.1
119.04960	10.4
119.08585	3.7
120.05729	2.8
121.06509	2.8
121.10132	1.5
123.04390	5.3
123.11658	0.8
124.05212	1.7
125.09632	6.7
131.04947	2.6
131.08542	2.8
133.06508	4.0
133.10129	2.1
135.04428	4.4
135.11717	1.1
136.05202	11.9
137.05983	71.1
145.06500	2.4
145.10152	1.4
147.04411	11.9
147.08066	3.3
147.11688	1.3
148.05179	1.0
149.05952	2.9
149.09622	1.7
157.10201	1.9
159.08040	1.1
160.08827	0.9
161.05972	1.0
161.09674	0.9
163.03984	1.0
163.07530	4.4
163.11165	1.1
164.07172	1.0
173.11737	4.5
175.07535	2.6
175.11243	1.3
177.09148	3.1
184.07385	1.3
189.09119	16.0
191.10651	1.6
192.11472	4.2
193.12267	5.9
203.10687	1.2
206.11700	1.3
215.10617	2.0
219.10028	1.2
221.14037	1.4
225.14796	1.5
232.10971	3.3
233.11729	78.2
234.12154	0.9
248.12849	1.4
249.11244	2.5
250.14394	53.9
312.42532	1.0
336.25064	1.1
472.27518	1.0
490.28180	1.7
491.26511	2.5
508.29053	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	508.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93484	1.2
53.03951	1.5
55.01874	5.7
55.05511	16.7
57.03431	4.5
62.06090	15.1
67.05503	22.1
69.03431	3.7
69.07059	11.6
70.20603	2.3
70.20998	3.7
71.05004	2.1
71.08637	18.6
71.14925	1.2
79.05487	17.1
81.03415	6.2
81.07056	16.0
83.04985	4.0
83.08632	4.6
85.02952	1.5
85.06561	1.9
91.05482	13.5
93.07055	10.9
95.04977	7.2
95.08612	10.0
97.06526	18.1
97.10182	8.3
98.06052	1.6
98.98466	24.1
99.08085	12.5
105.07027	9.4
107.04935	4.5
107.08594	10.4
109.06516	1.9
109.10168	8.7
111.08134	1.4
111.11729	1.9
117.07000	3.3
119.08569	4.0
121.06483	3.0
121.10163	4.3
123.04420	1.6
123.08086	3.7
123.11704	2.0
124.11216	2.7
125.09622	8.3
129.07004	2.3
131.08566	4.7
133.06502	2.4
133.10114	9.5
135.07973	2.7
135.11688	4.7
136.05249	1.8
137.05978	10.0
137.09610	2.2
139.11139	1.5
140.88832	1.5
142.02667	2.4
145.10248	1.8
147.04378	1.9
149.09610	2.4
149.13310	2.1
151.11160	7.5
153.09122	2.9
155.01025	5.5
157.10054	1.5
163.11227	1.9
165.12743	2.5
167.10663	2.1
173.02069	3.6
177.06256	1.6
177.12759	5.0
183.10115	1.9
186.30499	1.6
189.09074	3.1
189.11217	2.8
193.12253	3.4
195.13831	2.8
196.13344	1.8
216.06303	2.3
218.15648	1.8
227.12804	3.8
233.11755	14.0
236.16470	2.6
250.14455	7.8
253.14359	7.1
257.19016	2.4
267.15860	2.6
275.20047	19.2
283.15460	1.5
293.21097	90.7
307.09250	1.5
318.24307	5.6
336.25323	18.6
347.12860	1.7
349.13922	3.3
349.23804	10.9
367.24780	100.0
429.20361	62.5
429.26303	1.8
447.21478	31.6
472.24503	2.0
484.06860	1.7
490.25610	11.6
508.27100	17.7
513.31140	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01862	2.9
55.05272	1.0
55.05513	14.3
57.03446	5.3
57.07046	1.1
59.04990	1.3
61.02902	0.6
62.06066	1.5
62.30882	0.6
65.03920	0.9
67.05183	1.3
67.05511	16.6
69.03415	3.2
69.06721	1.1
69.07072	12.4
70.06593	0.7
71.00669	1.6
71.04984	1.9
71.08292	1.1
71.08639	15.6
73.02911	1.0
79.05498	16.0
80.17613	0.7
81.03429	6.1
81.07060	15.7
83.04987	3.9
83.08625	7.0
85.02886	1.6
85.06553	1.3
86.09692	0.8
89.32462	0.6
91.05481	11.8
93.07055	9.8
95.04990	5.1
95.08115	0.8
95.08623	7.3
96.34657	0.7
97.02877	0.8
97.06540	15.0
97.10180	9.3
98.06048	0.6
98.98500	3.3
98.99072	0.7
99.08107	9.8
105.07032	5.2
107.04939	2.5
107.08607	7.8
109.06544	1.9
109.10164	7.2
111.08073	1.4
117.07015	3.1
119.04940	1.0
119.08584	3.5
121.06503	2.1
121.10130	2.7
123.04399	0.8
123.08077	1.5
123.11694	0.9
124.11201	0.9
124.99952	0.8
125.09647	6.0
129.07002	1.2
130.30766	0.7
131.08582	4.2
133.06493	0.8
133.10149	5.4
135.08072	1.5
135.11678	2.1
136.05215	1.6
137.05957	7.1
138.14435	0.7
139.11186	1.5
145.06383	1.0
145.10127	2.3
146.63184	0.7
147.04381	1.7
147.08049	1.4
147.11670	1.2
148.54355	0.7
149.09662	1.5
149.13271	0.8
151.11136	3.4
153.09116	1.6
157.10184	1.0
158.86328	0.7
159.08060	2.7
159.11699	1.6
161.09660	1.3
161.13237	1.5
163.06265	0.7
163.07558	1.7
163.11191	1.6
163.19313	0.7
164.07050	1.0
165.12819	1.0
167.10742	1.6
173.09613	1.4
173.11769	1.3
173.13126	0.8
175.11214	0.8
177.09166	2.3
177.12769	2.9
184.07364	1.5
187.07503	1.2
189.09250	1.4
189.11198	2.6
190.33223	0.7
193.12326	1.4
195.13826	1.0
199.13289	0.8
201.09045	0.9
216.06285	1.8
227.12834	2.7
233.11710	6.9
247.20372	1.2
250.14436	5.0
265.21616	0.9
267.15790	1.7
272.16516	1.5
275.20102	6.9
293.21124	49.7
318.24377	2.0
327.49780	0.7
333.49344	0.8
336.25418	7.4
349.23672	4.4
367.24802	100.0
372.36188	0.7
400.21307	1.4
428.23984	1.2
429.20511	3.8
447.21222	3.3
472.26685	2.5
490.27014	3.1
508.29068	12.6
528.98828	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
55.01859	13.7
55.05513	34.9
57.07070	6.5
61.02927	5.0
66.97142	3.7
67.05128	4.4
67.05506	80.6
68.05846	4.4
69.03420	4.4
69.07070	30.2
69.75959	13.0
69.76365	6.9
71.04990	6.5
71.08620	15.9
79.05491	47.9
81.03420	8.4
81.06589	6.3
81.07053	100.0
83.04971	11.0
83.08629	32.3
85.02891	6.8
85.06504	10.2
85.10149	4.0
86.09725	4.1
91.05477	43.2
93.07042	64.5
95.04946	14.3
95.08604	50.0
96.36791	4.2
97.06527	9.5
97.10167	16.4
99.08093	19.6
105.07033	44.1
107.04964	4.6
107.08587	33.6
109.06451	8.1
109.10168	25.0
111.08080	15.1
117.07005	18.6
119.08572	26.4
121.06562	5.8
121.10162	25.0
123.08054	5.0
123.11697	7.2
125.09610	14.7
129.06985	12.6
131.08568	22.9
133.10123	26.8
135.08060	5.6
135.11693	15.8
139.07541	3.8
139.11147	8.0
143.08527	6.8
145.10112	13.8
147.11652	13.8
149.13280	19.4
151.11157	14.1
157.10117	6.7
159.11604	19.0
161.13248	12.0
163.11198	7.5
165.12721	10.2
165.16399	4.6
171.11664	7.7
173.13277	6.3
175.14789	5.3
177.12709	12.4
181.12117	3.6
184.07303	5.0
185.13173	6.3
189.11189	13.1
193.10156	4.1
195.09889	3.9
195.11707	3.7
195.13838	21.2
231.20996	4.6
243.13667	3.7
259.20477	6.2
273.14383	3.9
275.19983	5.0
277.18817	5.7
277.21619	61.5
286.97461	3.6
295.22595	33.6
319.26083	3.6
355.26230	8.5
373.27142	4.3
375.25208	12.7
379.25610	3.9
389.26672	6.4
425.33850	4.1
435.32419	5.8
453.33405	7.5
471.34586	19.3
485.68399	4.5
489.35681	33.6
507.16037	10.3
507.35077	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	507.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.1
55.01867	11.2
55.05515	39.0
56.52069	2.6
56.96544	3.5
57.03432	7.0
57.07070	10.0
59.04989	2.7
65.03940	5.3
67.03076	2.8
67.05506	80.1
67.05875	3.9
69.03426	6.5
69.07062	33.7
71.04977	5.0
71.08637	21.2
71.56692	4.1
73.02951	3.0
79.05493	52.7
81.03405	8.5
81.07057	100.0
83.04983	11.9
83.08629	31.3
85.06540	5.5
85.10170	4.1
91.05474	51.8
93.07043	66.7
95.04954	16.0
95.08608	48.9
97.06535	17.1
97.10155	24.1
99.08102	20.2
105.07030	37.7
107.04950	4.9
107.08593	42.4
109.06532	9.3
109.10160	20.1
111.08079	14.0
113.09653	5.3
117.07013	19.4
119.08569	29.8
121.06524	7.5
121.10141	25.8
123.08115	5.3
123.11689	8.2
125.09633	18.8
129.07005	9.9
131.08578	24.7
133.10120	31.6
135.04440	4.3
135.08069	5.0
135.11714	15.6
137.09657	3.9
137.13261	3.2
139.11148	5.4
139.15799	2.9
141.06973	3.6
143.08562	10.9
145.10167	13.3
147.08018	4.4
147.11707	19.5
149.09612	8.6
149.13268	22.5
151.11160	19.6
155.08577	6.0
155.10715	5.7
157.10156	9.2
159.11732	15.9
161.13278	11.7
163.11174	7.5
163.14857	4.1
165.12759	15.1
169.10165	5.0
171.11659	8.5
173.13269	5.3
177.12776	14.2
179.14330	8.9
179.91289	3.0
184.07339	4.8
185.13336	4.7
187.14775	6.9
189.11194	17.7
195.11905	5.9
195.13817	28.6
197.13293	3.7
199.14813	3.8
201.16231	3.3
205.15921	3.0
213.16449	3.8
221.15355	5.5
241.19481	5.4
249.22151	4.2
259.20599	5.9
277.21616	66.4
285.07297	10.3
295.22656	33.8
303.23068	8.5
317.24582	4.0
333.24164	3.5
339.23145	4.9
353.24918	4.3
355.26324	8.0
371.25812	4.8
373.27420	7.5
375.25253	10.1
389.26935	4.3
435.32358	8.7
453.33578	12.6
471.34897	23.7
489.35693	40.0
496.82095	3.3
507.16107	13.1
507.35602	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	507.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53912	1.6
53.03956	1.7
55.01864	8.9
55.05510	19.5
56.96559	2.3
57.03434	4.9
57.07078	10.3
61.02917	3.7
65.03941	2.4
66.54595	1.9
66.96078	2.0
67.05507	31.4
69.03430	10.5
69.06720	3.3
69.07063	36.0
69.50793	8.0
69.51218	6.2
71.04988	2.4
71.08624	4.0
73.02918	2.3
79.05482	21.5
81.03414	6.8
81.07059	97.4
83.04977	2.9
83.08623	16.1
85.02910	21.4
85.06546	33.7
86.09689	2.4
86.35258	2.1
87.00798	5.8
90.05205	1.9
91.03950	3.0
91.05450	10.1
91.88663	1.9
93.07050	30.7
95.04964	6.7
95.08610	70.6
97.02914	5.1
97.06528	26.9
97.10200	10.8
98.97565	2.7
99.04431	2.7
99.08089	16.8
105.01877	2.2
105.07024	10.2
107.08595	29.0
109.02901	3.0
109.06467	2.4
109.10151	44.2
111.08083	44.8
111.11718	6.6
112.99071	2.1
113.09653	10.0
116.98408	2.3
119.08573	8.1
120.08086	1.9
121.10154	24.2
123.08099	2.3
123.11715	28.4
125.09634	9.4
125.13295	3.1
127.03905	4.8
127.11201	2.8
131.00148	2.2
131.08594	3.9
133.10110	6.2
134.99454	2.6
135.11700	16.9
137.05965	4.8
137.13239	12.9
139.11205	4.3
143.10709	4.1
145.04924	2.3
145.06596	2.4
147.04503	2.0
147.11697	7.3
149.01251	2.3
149.13257	31.8
151.03958	2.0
151.14810	4.2
155.14371	2.4
157.10130	2.8
161.13199	4.1
162.99002	2.6
163.04036	2.4
163.14798	10.0
165.09175	6.0
165.16356	2.3
167.14403	4.2
175.07559	2.3
177.16368	5.9
181.15921	2.6
185.13200	2.3
191.17917	3.1
205.19604	10.7
215.06996	3.0
223.20512	8.4
227.20187	2.7
231.10033	2.6
241.21628	22.7
245.10347	2.3
247.24138	2.4
259.09720	2.1
259.20413	2.7
259.22772	17.6
265.25421	2.6
269.57147	2.0
277.10880	2.2
279.26944	2.6
291.26819	23.1
302.13843	6.0
309.27856	100.0
373.16437	10.3
468.55917	2.0
507.17447	15.1
507.24902	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	507.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01879	1.3
55.05511	1.8
57.03429	1.1
57.07073	0.5
61.31858	0.2
65.03935	0.4
65.30253	0.2
67.05508	7.0
69.03124	0.2
69.03432	2.4
69.07070	2.6
70.51649	0.7
71.01322	0.3
71.04988	0.6
72.16997	0.2
73.02924	1.3
73.27238	0.2
79.05066	0.4
79.05499	5.6
80.17680	0.3
81.03423	1.9
81.07065	5.6
83.04976	1.5
83.08606	1.2
85.02911	1.9
85.06550	1.1
86.09720	0.2
87.00812	0.4
91.03956	0.3
91.05477	3.5
93.07045	4.8
95.04983	1.5
95.08609	5.8
97.02878	0.6
97.06538	11.8
97.10179	0.4
98.06845	0.5
98.97589	0.5
99.04443	0.9
99.08086	0.5
103.05508	0.3
105.04500	0.3
105.07030	3.7
107.04945	0.8
107.08598	2.8
109.02885	1.6
109.06539	0.6
109.10157	6.2
111.04444	1.2
111.08089	0.6
113.06023	0.3
113.09620	0.6
117.07016	0.7
119.07807	0.3
119.08588	4.2
121.06493	0.8
121.10160	1.2
122.07326	1.7
123.08058	1.3
123.11735	2.0
125.09604	0.3
127.03891	0.9
127.11130	0.3
128.06172	0.6
129.05550	0.3
129.06999	1.0
129.09105	0.7
131.08574	0.7
132.99547	0.5
133.10118	1.0
135.04391	0.3
135.08086	0.4
135.11707	0.7
137.02368	0.3
137.05980	0.5
137.09622	12.6
137.13229	0.3
141.09126	1.1
143.08572	1.1
145.10126	1.4
147.04405	0.4
147.08072	0.3
147.11690	3.1
149.05956	0.4
149.09619	0.8
149.13287	0.6
151.07516	0.7
153.09056	0.3
154.35309	0.2
155.08537	0.4
157.08659	0.4
157.10052	0.3
159.08031	0.4
159.11696	0.5
161.05966	0.4
161.09601	0.4
161.13293	1.2
162.68192	0.2
163.03841	0.6
163.11195	0.4
165.09117	100.0
166.09412	0.7
167.08511	0.5
169.08662	0.4
169.10060	0.3
171.08070	0.5
171.11662	2.3
173.06036	0.4
173.13292	0.3
175.07558	0.6
175.11105	0.3
177.09061	0.3
181.06589	0.4
183.08104	0.4
185.06068	0.3
185.09633	0.4
187.07570	0.9
187.09605	1.2
187.11145	0.4
189.09030	0.3
189.12732	1.4
191.00063	0.5
191.07117	0.3
191.10651	0.4
195.08018	0.7
197.09673	0.6
199.07564	0.9
201.09167	0.6
203.10670	1.2
203.17932	0.4
205.12292	1.6
205.19556	0.3
207.13811	4.5
209.09781	0.3
211.07631	0.4
213.09180	1.3
215.07045	0.9
217.08719	0.6
223.07516	0.3
223.13350	0.3
223.20830	0.3
225.09146	0.5
225.14828	0.3
227.07097	0.4
227.10619	0.3
229.08562	0.4
231.10214	1.5
239.10623	0.4
241.08614	0.7
241.12241	0.5
241.21628	0.8
246.40964	0.3
255.10188	0.3
259.09634	1.2
259.22705	0.6
267.16055	0.3
275.30716	0.3
281.17545	2.4
283.13129	0.6
285.14951	0.4
287.12811	0.8
288.13004	0.3
291.23151	0.7
297.15015	0.4
299.12805	0.5
301.14407	0.3
302.17514	0.3
309.14804	0.7
311.12686	0.6
313.14322	0.5
319.22610	0.4
326.11343	0.2
327.15894	0.8
331.15442	0.7
332.15686	0.6
337.14484	0.4
337.23825	2.4
343.15363	0.3
355.15320	0.9
370.17795	0.3
373.16464	8.8
375.10663	0.3
425.30487	0.4
443.31467	0.7
471.31384	0.6
479.21234	0.3
489.17786	0.3
489.25198	0.5
489.32129	0.5
507.18488	3.1
507.30051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01865	0.9
55.05505	1.6
56.96577	0.3
57.03450	1.0
57.07062	0.6
61.02929	0.5
65.03924	0.5
65.33250	0.3
67.05507	6.9
69.03128	0.2
69.03432	2.4
69.07067	2.3
71.01318	0.2
71.04982	0.7
71.28031	0.3
71.28373	0.3
71.53712	0.2
73.02916	1.2
79.05070	0.4
79.05495	6.0
79.54434	0.2
80.57076	0.2
81.03410	1.8
81.06589	0.3
81.07059	6.2
83.04988	1.3
83.08614	0.7
85.02913	2.2
85.06548	1.2
86.09686	0.3
87.00811	0.4
87.04495	0.3
89.02425	0.3
91.05483	4.2
93.07053	5.3
95.04977	1.4
95.08605	5.9
97.02922	1.0
97.06532	10.8
97.10174	0.6
98.06850	0.5
98.97587	0.5
99.04458	0.9
99.08083	0.7
105.04512	0.4
105.07040	3.6
107.04959	0.7
107.08596	2.7
109.02885	1.4
109.06535	0.8
109.10163	6.2
111.04436	1.4
111.08053	0.4
113.05978	0.6
113.09665	0.5
115.05405	0.2
115.45171	0.2
116.88374	0.2
117.07008	1.3
119.08586	4.4
121.06495	0.6
121.10168	1.3
122.07298	1.9
123.07264	0.2
123.08053	1.1
123.11713	2.3
125.09608	0.5
127.03896	1.1
128.06212	0.3
129.07031	1.4
129.09097	0.5
131.08572	0.6
132.99564	0.6
133.06447	0.3
133.10112	1.0
135.04413	0.5
135.08046	0.5
135.11676	0.8
137.05927	0.7
137.09621	12.0
137.13242	0.3
139.11288	0.3
141.07034	0.3
141.09100	1.2
143.08566	0.7
145.04980	0.4
145.06465	0.4
145.10123	1.3
147.08003	0.3
147.11693	3.5
149.06052	0.2
149.09579	0.9
149.13266	1.2
151.07549	0.9
155.08566	0.5
157.08606	0.5
157.10072	0.4
159.08061	0.5
159.11694	0.5
161.06003	0.7
161.09595	0.5
161.13268	1.2
163.03915	0.6
163.07545	0.3
163.11241	0.3
163.14781	0.4
164.07083	0.2
164.52731	0.2
165.09114	100.0
166.09441	0.5
167.08571	0.6
169.08617	0.5
171.08072	0.4
171.11673	2.8
172.99022	0.3
173.02362	0.3
173.05872	0.3
173.09677	0.4
173.13202	0.3
175.07538	0.5
175.11197	0.5
177.09056	0.3
181.06413	0.3
183.08060	0.4
184.07414	0.3
185.13255	0.3
187.07590	0.6
187.09656	1.1
187.11217	0.5
189.09097	0.8
189.12712	1.7
191.00082	0.5
191.10698	0.5
193.10162	0.3
195.08121	0.5
197.05901	0.3
197.09604	0.6
199.07573	0.8
199.14949	0.3
201.09076	0.6
203.10750	1.2
203.14314	0.3
205.12242	2.1
205.19585	0.4
207.13809	4.4
209.09641	0.3
211.07594	0.6
213.09096	0.8
215.07057	0.8
215.10625	0.3
217.08681	0.3
223.13232	0.3
225.14920	0.6
227.07109	0.4
227.10675	0.5
229.08549	0.2
231.10150	2.0
241.08461	0.6
241.12233	0.4
241.21652	1.2
253.12334	0.4
255.13901	0.3
259.09723	1.0
259.22757	0.9
265.12289	0.3
267.13669	0.4
267.16229	0.3
269.11581	0.3
273.22141	0.3
281.15085	0.3
281.17563	2.7
283.13251	0.7
287.12744	0.9
288.13168	0.5
291.23209	0.6
293.21179	0.3
297.14868	0.3
299.12863	0.5
309.14868	0.6
311.12839	0.6
312.13281	0.4
313.14316	0.9
314.14825	0.3
317.21017	0.3
319.22702	0.5
327.15839	0.6
331.15237	0.7
332.15710	0.5
337.23737	1.9
343.15189	0.5
355.15408	1.3
356.15695	0.5
373.16446	8.4
443.31543	0.5
471.30829	0.7
489.17371	0.3
489.31821	0.6
507.18234	3.1
507.30881	0.3
508.29193	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.7
57.03440	1.1
57.07073	8.9
65.20575	0.8
67.05494	3.5
67.40495	0.7
69.07062	2.3
69.78387	2.4
69.78800	2.0
71.08634	8.2
79.05469	1.2
79.56108	0.9
81.07063	5.1
83.08614	2.5
85.10187	4.8
86.25605	0.8
91.05476	1.6
91.07410	0.8
93.07036	2.0
95.08608	6.5
96.01860	3.0
97.06509	1.0
97.10177	1.7
107.08605	1.9
109.02607	0.9
109.10160	2.0
119.14904	0.8
120.96597	1.0
123.11671	1.1
133.10153	1.3
149.13235	0.8
152.81895	0.9
153.01598	7.5
160.21767	0.8
166.84938	0.8
176.99255	13.4
180.11197	1.5
195.00314	29.6
195.09906	1.6
207.09972	1.1
209.11505	100.0
213.00107	1.1
220.14368	6.0
235.13022	2.6
237.14639	1.3
249.14630	67.5
264.13190	0.9
265.14154	4.1
269.03998	1.5
311.14551	1.5
313.23947	0.9
313.27328	13.0
321.16714	1.7
353.26550	1.7
377.26663	1.3
392.50342	0.9
413.79684	0.9
415.22018	5.0
433.22824	1.3
461.28543	1.5
489.25598	3.7
491.46323	1.0
507.27063	98.7
507.40161	3.5
508.27307	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.1
55.01854	3.7
55.05511	21.6
56.96560	1.5
57.03440	5.1
57.06836	1.0
57.07080	13.1
57.79555	1.0
59.04986	1.5
61.02924	4.9
65.03955	1.3
65.31594	0.9
67.05504	18.9
68.99773	1.5
69.03428	12.4
69.07067	37.0
69.41030	7.6
71.04989	6.1
71.08653	5.4
73.02895	2.1
75.15941	1.1
79.05494	13.4
81.03407	10.0
81.07056	48.9
83.04971	2.5
83.08143	1.8
83.08616	23.9
85.02907	28.6
85.06548	5.8
85.10172	2.4
87.00822	7.5
91.03987	1.1
91.05464	7.1
93.00590	0.9
93.01245	1.0
93.07044	21.6
95.04963	3.3
95.08609	50.9
97.02884	8.7
97.06527	45.6
97.10170	18.5
98.06853	1.7
98.97546	1.3
99.04449	5.6
99.08095	13.6
105.01856	7.0
105.07018	4.5
107.08598	21.3
109.02875	6.9
109.06542	1.5
109.10157	44.3
111.04469	1.0
111.08063	1.8
111.11726	5.8
113.08879	1.8
113.09641	27.0
116.61871	0.9
117.07034	1.6
119.08559	4.0
121.10146	18.6
123.04350	1.3
123.11704	29.8
125.09617	4.9
125.13239	4.2
127.03922	13.7
127.11177	8.0
129.07047	1.2
131.08528	1.5
133.10124	2.3
135.04407	2.0
135.08115	1.0
135.11705	18.9
137.02345	1.1
137.05949	2.0
137.09512	1.4
137.13239	7.8
139.11134	2.7
141.06952	1.3
141.12755	1.1
143.04955	1.2
143.08563	1.2
143.10686	15.5
145.04951	5.2
145.10152	2.1
147.11662	1.7
149.13260	26.7
151.14793	4.6
153.12709	3.1
157.06480	1.8
159.02887	2.5
159.08080	1.7
161.06033	1.4
161.09599	1.2
161.13194	1.5
163.03922	2.6
163.14816	4.3
165.09085	2.4
167.08542	2.0
167.14334	2.9
171.08018	2.0
171.13770	3.1
173.02327	2.0
173.05775	1.2
175.07585	2.0
177.16335	1.3
179.17938	3.1
183.08069	1.6
185.09686	1.9
187.07613	2.2
187.11185	1.1
189.09126	1.6
191.07043	1.6
193.19534	2.1
195.08069	1.8
197.06129	1.2
197.09727	1.2
197.18982	2.5
199.07454	2.1
201.09048	1.8
205.19518	35.4
209.09691	2.0
211.07535	2.2
211.20555	7.9
213.09067	3.3
214.09560	1.2
215.06979	4.7
215.10753	1.1
217.08638	3.0
223.20573	25.8
227.10808	1.3
229.08607	1.2
231.05023	1.5
231.10077	4.8
233.08102	1.2
241.08641	2.2
241.21623	98.9
242.21941	1.1
250.09618	1.2
257.11719	1.2
259.09616	5.3
259.22690	100.0
267.13730	1.2
282.17810	1.1
283.13339	1.4
287.12750	3.6
288.13004	1.6
297.14847	1.7
309.14847	2.2
313.14319	3.4
327.15891	4.2
331.15338	2.9
332.15607	2.3
355.15347	3.6
356.15723	1.4
373.16443	31.8
489.17566	1.0
489.26944	1.8
507.17734	4.9
507.27826	2.3
508.27676	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52134	1.3
53.03941	4.0
53.99173	1.3
55.01866	4.9
55.05507	20.9
57.03429	7.1
57.07081	14.8
61.02924	4.2
61.70367	1.5
67.05503	19.6
69.03429	16.6
69.07069	39.6
69.98048	2.6
69.98466	5.8
71.04986	5.3
71.08628	5.0
73.02911	2.4
75.30178	1.3
79.05499	17.3
81.03437	12.9
81.07056	51.3
83.04952	2.3
83.08622	25.5
83.96937	1.4
85.02910	26.4
85.06524	8.4
87.00840	11.7
91.03954	2.5
91.05484	6.6
93.07046	24.5
95.04982	4.3
95.08609	50.2
97.02892	10.5
97.06538	46.1
97.10182	18.8
99.04456	3.4
99.08076	14.0
103.75002	1.7
105.01870	7.5
105.07048	6.6
107.08596	20.5
107.58360	1.5
109.02873	5.9
109.10155	42.8
111.11742	8.0
113.09650	30.5
119.08620	5.7
121.10114	19.2
123.11710	31.8
125.09605	4.4
125.13271	4.6
127.03947	13.7
127.11205	8.5
131.00179	2.4
131.08600	2.9
133.10159	3.2
135.04451	1.9
135.08089	1.8
135.11684	21.8
135.47102	1.7
137.05966	2.3
137.13243	6.6
137.51978	1.6
143.10703	17.2
145.04938	3.6
145.06496	1.8
145.10153	2.8
149.12184	2.6
149.13269	29.8
149.15129	1.7
151.14841	3.6
153.12706	1.7
157.06570	2.0
157.10120	1.8
159.02913	2.2
159.11604	1.5
161.09581	1.7
163.14842	6.2
165.09131	1.6
165.16368	1.8
167.14249	3.0
171.08153	2.7
171.13785	2.2
173.02274	3.2
175.07538	1.8
177.16556	1.7
182.10773	1.5
187.07579	2.8
189.09148	3.0
193.19514	2.5
197.19092	1.7
199.07529	2.8
201.09059	3.4
205.19502	35.3
211.11217	2.0
211.20584	10.0
213.09062	4.6
215.07120	2.5
215.10739	3.5
217.08626	2.4
223.20584	33.3
225.09053	1.8
231.04964	2.2
231.10202	8.5
241.08667	2.4
241.21626	100.0
250.09683	2.5
251.17451	1.6
259.09695	5.4
259.22696	99.8
281.17499	3.8
282.17783	4.4
283.13266	3.2
287.12759	3.0
309.14923	3.7
311.12845	3.2
313.14328	4.7
327.15741	4.4
331.15475	1.9
332.15759	4.7
337.14090	1.9
355.15445	4.8
362.76407	2.3
373.16449	34.8
507.19092	6.0
531.49957	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29379	0.6
55.41858	0.6
56.96586	2.1
65.70677	0.6
67.20144	0.6
69.03448	0.8
69.65983	2.3
69.66394	0.8
69.66602	0.6
85.02921	1.9
94.06569	0.7
97.02905	1.5
98.20844	1.1
98.97591	4.9
101.00911	0.7
102.92605	0.6
109.83289	0.5
110.97573	2.1
113.00868	0.9
116.98675	2.0
119.01942	1.2
122.01436	1.0
127.03926	0.9
128.98613	2.3
131.01093	1.0
131.01880	3.7
131.51938	0.5
132.07481	0.6
134.99918	2.6
137.01929	0.7
138.05484	0.9
140.98799	0.7
143.01935	1.7
145.04889	0.6
146.99622	0.9
153.00955	1.0
158.02400	0.7
158.99828	3.4
161.02974	1.3
162.99297	3.6
164.98897	1.4
170.99696	1.2
173.02979	1.8
176.99361	1.1
177.00949	17.1
182.98309	0.7
182.99962	2.0
185.01457	0.9
185.02983	1.1
186.99358	1.3
188.99336	1.2
189.00752	3.0
193.98924	0.6
194.99968	0.9
197.01424	0.8
199.31912	0.7
201.00946	27.8
203.02515	8.2
203.04080	2.1
203.05527	0.6
205.00391	5.8
206.00531	0.8
207.00211	0.7
211.02911	1.5
213.00952	10.9
215.02515	9.5
218.99988	2.7
219.01982	46.1
224.96458	2.2
225.00755	7.8
227.02501	6.2
229.00436	1.6
229.03992	2.8
230.99797	1.5
231.02000	15.2
232.03424	0.8
233.03545	1.6
237.00896	17.8
239.02599	3.4
241.00537	0.8
241.04059	1.1
242.03584	0.9
243.02007	83.1
244.02301	1.2
244.99480	0.8
245.03294	2.9
247.01575	0.7
249.00874	3.0
254.03667	0.8
255.01997	100.0
256.02142	2.4
257.03561	4.4
259.01611	0.7
261.03073	32.4
262.03186	0.9
263.06168	1.2
264.01364	0.8
265.00348	1.2
266.03622	2.7
267.01978	22.8
267.06323	0.9
269.03525	1.8
273.03055	32.1
274.03207	0.7
274.99100	0.9
278.03568	3.5
279.01788	7.2
281.03546	1.3
281.07184	0.7
283.01392	4.2
285.03055	36.9
291.01532	1.0
291.04218	1.7
291.06918	0.7
296.04913	0.8
297.03073	20.4
298.02957	0.9
299.04623	1.2
302.98788	1.2
303.04111	26.2
304.04428	0.8
308.04236	0.8
309.03107	4.9
309.08414	0.9
312.08072	0.6
315.04105	2.8
321.04980	3.1
326.05753	1.3
327.04022	28.2
336.03076	1.1
339.04147	5.8
345.05167	73.2
346.05209	1.0
351.03888	0.8
357.01215	1.2
357.05179	10.8
363.06238	9.7
368.06647	3.6
369.05054	1.4
375.06070	2.1
381.05923	0.6
387.06189	22.1
399.06018	4.1
405.07343	4.0
429.06903	1.0
447.08084	2.2
465.09641	3.8
483.10156	2.6
507.09158	1.9
507.14853	3.3
525.10864	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
55.05508	1.4
56.96558	1.0
57.03439	10.1
59.04992	2.6
60.04519	2.8
61.02912	3.5
67.05492	4.2
67.67885	0.9
69.03429	35.5
69.07055	3.1
70.06582	1.9
71.04919	0.9
71.56522	1.3
73.02908	2.5
79.05488	5.2
81.03413	2.2
81.07056	7.1
82.03627	0.9
82.07368	1.9
83.04980	1.0
83.08601	1.4
84.08143	1.1
85.02905	32.1
86.09696	1.7
87.04472	27.6
88.96524	1.0
90.17370	0.9
91.03938	3.4
91.05461	3.3
93.07026	3.9
95.04934	1.7
95.08612	5.6
96.08128	1.4
97.02291	2.1
97.02892	31.9
97.06546	4.7
98.97575	1.3
99.04427	1.3
103.05469	6.9
105.07018	6.2
107.04967	9.2
107.08580	2.8
109.02888	1.6
109.10147	2.9
110.09748	1.1
111.04433	1.4
115.03936	39.3
115.05421	1.7
117.07050	1.4
119.08569	2.8
120.08112	1.7
120.08895	1.1
121.06493	1.0
121.10146	2.5
123.04431	1.4
123.11721	1.0
124.03920	1.0
127.03915	3.5
129.07005	1.0
131.04921	1.7
131.08548	1.6
133.04965	32.0
133.06458	1.9
133.10115	1.7
135.08037	8.3
135.11720	1.2
137.05962	1.2
138.09122	3.0
139.03889	4.3
143.03395	1.1
144.06572	2.4
145.04977	4.6
145.06473	2.1
145.10042	1.6
147.07985	1.2
150.07671	5.5
151.03908	3.2
151.11247	1.3
154.06247	34.9
161.13330	1.2
162.07596	2.3
163.07545	28.0
164.93822	1.0
165.05490	1.1
166.08685	2.7
167.07027	4.0
175.07484	1.7
179.14305	1.0
180.08664	1.5
195.10172	100.0
196.10475	1.0
207.10172	5.4
213.09140	2.1
217.08707	1.1
219.10149	1.9
223.13161	1.1
245.11752	2.1
273.11115	1.2
274.98676	0.9
291.12326	4.8
308.26727	1.6
344.15707	1.2
353.11591	1.3
382.23453	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28791	1.0
53.03932	4.5
53.45712	1.1
55.01872	5.8
55.05507	2.4
55.18491	1.0
56.96535	1.8
57.03440	11.3
59.05008	1.5
61.02916	4.8
65.03927	1.9
67.05511	2.4
69.03430	55.7
69.38552	10.0
70.06593	3.0
71.04993	3.1
73.02911	5.5
75.26270	1.2
79.05492	2.0
81.03418	18.1
83.04970	5.4
85.02908	65.2
87.00834	19.8
87.04465	18.5
90.05545	3.6
91.03941	3.4
91.05485	100.0
95.08601	1.6
97.02895	58.6
97.03523	2.8
97.06542	3.2
98.08517	1.2
98.21529	2.1
99.04444	10.2
103.03968	2.6
105.01188	2.0
105.01873	38.7
105.02573	2.5
105.07011	4.1
107.04971	2.0
107.08597	1.2
109.02883	19.7
109.10152	3.0
111.04449	4.3
115.03940	26.8
119.04959	1.4
121.06496	1.3
125.02364	1.8
125.06023	1.5
127.03923	46.5
128.19366	1.2
129.05467	3.3
129.07001	1.5
131.04890	1.8
133.04977	15.6
133.06491	3.3
137.05981	1.6
139.03859	1.9
145.04974	19.6
145.06264	2.3
150.07622	16.1
157.06435	1.7
159.02866	6.5
169.01340	1.3
171.08011	2.2
175.07549	4.5
177.05495	3.2
181.04968	2.4
181.06479	1.8
189.03967	5.8
195.06500	4.3
199.07549	2.7
205.04910	2.4
206.15527	1.6
206.80487	1.2
213.03911	4.1
215.05438	1.8
216.59421	2.8
217.08640	4.1
223.05989	4.7
231.05002	18.1
235.09674	2.3
241.07123	6.6
249.06084	7.1
273.05994	2.0
290.40778	1.2
297.62103	1.7
298.11832	1.3
301.08868	1.2
303.08667	1.5
321.09729	4.0
327.07047	8.6
339.10828	3.6
345.08173	15.1
363.09250	2.9
506.22256	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	505.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
53.18772	1.2
55.01860	1.5
55.05513	13.7
56.21299	1.2
57.03432	8.0
57.05184	1.0
57.07071	2.2
59.04982	5.4
65.03935	2.6
65.66179	1.1
67.05505	100.0
69.07069	9.0
71.04978	3.9
71.08650	1.4
79.05071	2.0
79.05492	28.0
81.07058	30.0
81.35367	1.0
83.04951	1.3
83.08618	8.4
85.06532	3.7
91.05481	34.5
93.06471	2.2
93.07040	29.9
95.04949	3.2
95.08607	18.5
97.06539	2.7
97.10162	4.4
99.08076	2.7
105.07035	31.8
107.08598	20.9
109.10155	65.5
111.08069	4.8
117.07003	9.9
119.08577	33.1
121.10140	12.5
123.08072	1.7
123.11703	2.2
125.09612	2.1
128.06194	1.5
129.07031	7.3
129.97862	1.2
131.08566	13.1
133.10123	30.4
135.08072	1.7
135.11710	10.8
137.09604	4.0
143.08551	4.8
145.10117	11.0
147.07971	1.5
147.11690	28.4
149.09604	1.5
149.13205	6.8
155.10689	6.2
157.10109	5.3
159.11687	10.3
161.09627	1.5
161.13235	22.2
163.11238	1.5
163.14772	1.9
171.11685	8.2
173.11717	17.8
173.13258	6.5
175.14868	9.8
177.12697	1.2
185.13205	7.4
187.14764	3.2
189.11282	1.5
189.16293	1.4
199.14815	3.7
213.16415	1.7
225.04247	1.6
227.12773	7.2
229.14352	61.1
231.21045	5.3
241.19518	26.5
259.20566	64.6
261.22076	2.5
277.21478	1.5
315.23212	5.7
333.24225	32.5
347.21857	8.4
371.59766	1.2
379.07312	1.3
395.29285	1.8
487.34204	13.9
505.35376	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	505.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.01842	3.3
55.05513	20.9
57.03444	5.1
57.07079	12.6
61.02918	8.4
67.05505	38.2
69.03417	9.3
69.07072	44.9
69.76468	12.0
71.04996	4.7
71.08629	6.0
79.05495	26.4
81.03408	12.8
81.06584	5.2
81.07056	86.8
83.04988	17.3
83.08202	2.1
83.08618	15.2
85.02903	16.6
85.06546	16.1
88.43614	2.3
91.05475	20.2
93.07037	40.2
95.04970	100.0
95.08603	66.5
97.02885	7.1
97.06521	15.3
97.10195	11.3
98.97581	3.3
99.04428	3.7
99.08093	10.7
105.07038	38.7
107.04939	2.5
107.08595	45.4
109.02854	2.9
109.06511	11.4
109.10155	47.3
111.08054	7.2
111.11694	4.7
113.06008	5.0
113.09648	4.4
117.06998	7.1
119.08565	30.2
121.10152	25.3
123.08057	5.2
123.11714	24.2
125.09589	4.0
127.11223	3.6
129.12779	2.4
131.08578	9.3
133.10139	16.8
135.08064	15.4
135.11685	20.9
137.05914	2.7
137.09598	4.1
137.13248	7.4
139.11165	3.8
142.00432	2.4
143.08517	2.5
145.10100	11.3
147.11642	19.6
149.09624	4.6
149.13263	17.7
151.03918	20.6
151.11111	2.6
153.09132	2.7
159.11681	13.1
161.13266	20.1
163.11153	3.5
163.14783	13.0
165.09093	5.8
165.12804	4.7
173.13222	8.4
175.14812	9.5
177.16338	6.8
181.12306	2.6
187.14825	8.1
189.16396	7.8
201.16432	5.7
203.17972	7.8
215.18033	4.6
221.18991	3.1
233.18956	4.4
255.69746	2.4
271.24155	8.0
277.25357	3.8
289.22372	3.9
289.25272	32.8
301.06668	2.7
307.26324	60.6
325.14926	2.9
325.27298	10.7
343.15518	5.0
445.19299	3.1
505.20230	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	505.3524
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.03946	9.9
55.05518	55.6
56.96554	25.0
57.03426	15.9
61.02909	33.2
67.05515	59.0
69.07052	25.5
70.53809	8.4
71.56790	13.3
73.02912	8.9
79.05504	58.1
81.03413	16.7
81.07070	85.9
83.04996	68.7
83.08602	22.8
85.02889	30.9
86.09689	32.5
91.01431	10.4
91.03942	32.8
91.05490	65.1
93.07047	81.6
95.04942	20.0
95.08614	100.0
95.43297	9.9
97.02827	17.1
97.06523	39.7
97.10149	9.9
98.98460	13.4
99.08084	16.4
105.07031	80.0
107.08110	9.2
107.08614	91.5
109.06499	16.2
109.10134	33.7
111.08081	13.8
117.07021	19.8
119.08590	84.5
121.10173	50.8
123.08025	15.2
123.11752	18.5
124.99989	15.2
125.09607	35.3
128.84473	8.9
129.06958	11.9
131.08585	46.2
132.35652	10.4
133.10150	59.6
135.11655	23.3
137.05972	14.1
143.08527	22.7
145.10130	71.7
147.11713	46.7
149.13231	19.8
157.10100	39.6
159.11699	64.6
161.13237	30.8
169.10275	10.9
171.11694	31.1
173.13283	29.8
175.14815	40.1
184.07397	76.6
185.13196	31.4
187.14859	43.0
189.16328	12.2
197.13222	11.7
199.14792	44.4
201.16447	46.6
203.14330	26.5
203.17928	10.8
205.15721	9.7
211.14870	14.0
213.16370	40.4
217.15822	12.5
221.09764	10.2
245.15425	13.3
249.14865	21.3
277.21539	14.0
281.10641	29.2
299.11813	11.0
351.25317	22.9
387.30283	13.6
401.72894	9.9
405.31451	42.4
407.03632	11.0
423.32510	22.6
433.30807	30.2
451.31802	40.3
469.33490	45.7
487.17395	12.2
505.11414	14.1
505.23108	13.4
505.31311	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.5
55.01856	5.3
55.05496	13.7
56.96540	8.8
57.03435	5.6
57.07069	4.8
61.02922	11.6
63.60045	3.7
64.23926	3.6
67.05511	25.8
69.03420	24.3
69.07057	28.7
70.20502	9.0
70.20916	12.0
70.31632	4.1
71.04971	8.8
73.02901	7.2
73.59737	4.4
79.05509	23.9
81.03405	11.8
81.07053	100.0
83.08607	8.8
85.02919	28.0
85.06487	7.3
86.09667	5.0
91.03946	5.9
91.05464	14.2
93.07053	23.1
95.04936	11.6
95.08060	5.3
95.08609	55.9
97.02895	21.5
97.06530	31.3
98.97563	12.3
101.03688	5.1
105.01824	5.1
105.07044	34.0
107.08598	32.8
109.02818	7.0
109.10158	38.1
111.08037	5.4
111.11702	5.1
116.98621	4.8
119.08588	33.7
121.06498	4.3
121.10114	13.6
122.10548	4.7
123.11684	12.3
125.02232	4.2
125.09624	5.4
127.03902	13.1
127.11178	11.4
129.06964	3.9
131.08530	9.2
133.10095	16.6
135.08116	4.1
135.11710	34.6
137.02374	5.0
137.05920	6.5
137.09659	4.8
137.13235	6.9
140.06998	4.8
145.04962	6.9
145.10109	4.8
147.11674	21.9
149.09612	4.5
149.13213	5.4
153.12794	4.8
155.08696	4.0
159.11713	6.8
161.13269	11.5
163.03911	4.2
165.09077	16.6
175.14798	4.2
177.16360	6.9
183.15112	4.4
203.17870	23.8
204.18317	7.5
221.19029	15.2
230.25697	4.7
244.15370	6.5
272.14572	10.3
281.15146	36.8
307.26395	8.0
375.19354	10.0
415.23132	4.2
461.08551	7.2
461.23447	5.5
472.20938	4.7
487.30447	5.7
505.11108	8.5
505.18661	9.4
505.25739	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	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.5
55.01857	4.6
55.05508	5.7
57.03418	2.5
57.07068	2.6
57.73370	0.9
59.04990	1.1
60.04483	0.9
61.02943	4.7
65.17793	1.0
67.05503	12.0
68.84029	0.9
69.03431	14.9
69.07062	13.3
70.75219	2.1
71.04979	3.9
73.02925	5.3
79.05503	8.6
81.03419	12.1
81.07058	45.3
83.04998	1.9
83.08623	5.3
85.02908	37.6
85.03434	1.8
85.06509	4.1
85.40450	0.9
87.00834	17.2
87.04490	1.2
91.03933	1.6
91.05477	11.4
93.07051	17.1
95.04976	2.8
95.08608	35.1
97.02896	18.4
97.06547	8.1
97.10172	2.2
99.04485	5.2
99.08084	1.4
105.01868	26.0
105.07029	45.9
107.08599	24.2
109.02879	13.5
109.06506	2.1
109.10162	27.9
111.08093	1.1
117.01826	1.8
117.07037	2.3
119.08586	70.6
121.10152	15.3
123.08126	1.3
123.11708	19.7
127.03925	32.9
127.11147	1.1
129.01833	1.3
129.07022	1.3
131.08574	2.4
133.10147	26.5
135.11697	7.5
137.09630	1.2
137.13257	5.7
143.08582	1.2
145.04956	18.7
145.10101	4.8
147.02913	1.3
147.08000	1.2
147.11693	54.0
149.13272	4.7
151.11211	1.6
159.02885	9.4
159.11688	2.4
161.13245	13.4
163.14813	4.1
165.12752	3.8
173.13264	1.5
175.14835	2.5
177.16353	2.3
189.04018	1.4
201.16403	0.9
203.17963	100.0
205.19490	3.7
213.03897	1.1
221.19008	25.5
231.05017	16.4
248.07645	2.1
249.06065	6.8
266.08594	1.1
284.09750	19.1
311.20062	1.1
311.44907	0.9
328.68350	1.2
460.23135	2.2
504.24789	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	505.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96541	0.4
61.02913	0.3
67.05468	0.4
69.03424	0.5
69.89094	0.7
69.89513	0.9
70.06538	1.0
81.03382	0.3
84.08133	0.3
85.02865	1.1
85.32619	0.3
91.05456	0.9
93.07016	0.5
97.02842	0.8
98.97539	1.3
101.16042	0.3
107.08596	0.3
116.98571	0.4
127.03796	0.3
137.05939	0.6
147.04333	0.5
151.03833	0.8
155.03139	0.5
177.05469	0.4
181.73363	0.3
195.13527	0.3
201.03688	1.7
203.05295	0.6
205.64763	0.3
219.01746	0.4
237.02885	0.3
256.10007	0.4
275.07422	1.0
333.07922	45.5
334.08112	0.3
335.09479	20.8
343.13074	1.2
355.08258	0.4
373.18491	0.4
487.12659	0.3
501.84814	0.3
505.22592	100.0
506.22498	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20691	0.7
53.03931	1.3
55.01884	0.7
55.05516	5.8
56.96549	1.6
57.03435	1.4
59.04987	0.7
61.02905	2.3
62.06098	0.7
63.65460	0.8
67.05514	3.4
68.81480	0.7
69.03439	3.6
69.07056	3.0
70.06578	0.9
70.96420	0.6
71.04973	0.9
71.08630	7.2
71.28280	1.0
72.08147	1.3
73.02901	2.1
76.85255	0.6
79.05483	2.5
79.70363	0.6
81.03404	1.9
81.07057	5.8
81.14386	0.6
83.04978	4.9
83.08604	1.8
84.04453	0.7
84.08150	1.2
85.02909	5.8
85.06510	0.9
86.05587	0.8
86.06072	10.1
91.03945	1.3
91.05471	3.4
93.07027	2.8
95.04979	0.9
95.08627	5.9
96.08138	3.9
97.02906	4.8
97.06521	3.1
98.06035	1.4
98.09704	7.3
98.97575	2.3
99.04434	1.0
99.08097	5.3
101.06022	4.7
105.07043	4.0
107.08594	2.9
108.08108	1.5
109.02866	1.3
109.06506	1.4
109.10147	2.5
110.97549	0.8
111.04420	5.4
116.10731	21.9
119.04868	0.9
119.08569	4.6
121.10132	2.6
122.09633	1.4
123.11686	1.3
124.07585	1.0
126.09078	0.7
127.03910	3.0
129.05447	1.6
129.06955	0.7
130.94922	0.7
131.00186	1.7
131.08522	0.7
133.06468	0.7
133.10106	2.1
135.11676	1.9
136.11224	1.0
137.05994	0.8
137.09601	1.1
142.08636	5.8
143.10667	3.0
145.04974	1.5
145.10080	1.6
146.75082	0.8
147.06493	1.0
147.11694	3.6
149.01201	1.8
154.08647	0.7
154.15897	3.3
158.99635	1.3
163.14801	0.7
164.10623	1.3
166.15904	2.2
168.17435	1.4
169.06987	0.8
173.08119	1.6
175.14838	0.8
178.07512	0.8
178.15871	1.3
180.13788	0.7
182.15407	2.8
190.12206	1.6
196.16960	6.8
198.14867	0.7
203.18018	4.4
204.10164	1.2
208.13364	3.2
214.18024	100.0
215.18327	0.9
226.14395	15.9
244.15453	50.7
250.09731	4.3
256.13077	0.9
268.03787	0.6
324.21805	1.6
331.12247	17.5
331.62393	2.4
342.22769	20.8
376.23340	1.6
388.19687	1.4
406.20660	6.0
407.87903	0.7
414.22638	2.0
460.23062	2.9
486.27078	2.3
504.24579	8.1
505.11703	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.5
55.01860	4.6
55.05516	7.7
57.03426	3.1
57.07056	2.7
61.02903	5.0
67.05507	11.8
68.64042	1.1
68.99777	1.6
69.03148	1.2
69.03432	12.8
69.07066	15.6
71.04955	1.9
71.08623	1.2
71.56534	1.5
73.02901	4.2
79.05503	10.5
81.03419	15.5
81.06592	2.6
81.07056	48.7
83.04978	2.1
83.08620	5.1
85.02906	39.6
85.06538	3.2
87.00821	18.6
91.03934	1.9
91.05463	12.2
93.07049	22.5
95.04983	2.0
95.08603	41.1
97.02895	20.5
97.06525	11.0
97.10179	2.4
98.97545	1.5
99.04448	5.9
105.01867	22.7
105.07030	54.4
107.08592	24.7
109.02870	13.9
109.06529	1.8
109.10155	26.2
111.11707	2.5
116.30807	1.2
117.01840	2.9
117.06995	2.3
119.08582	74.6
121.10153	16.3
123.11720	19.9
127.03923	34.3
129.01794	1.6
131.08527	3.5
133.10129	27.1
135.11697	7.7
137.05998	2.2
137.13235	4.5
142.78290	1.2
145.04953	16.6
145.10072	4.2
147.02914	2.0
147.11690	52.6
149.13226	5.5
159.02914	9.4
161.13231	13.1
163.14809	3.5
165.12730	3.8
175.14830	2.3
190.12274	1.3
203.17958	100.0
205.19540	2.8
221.18985	20.0
231.04990	14.6
248.07614	1.4
249.06122	8.0
259.09787	1.4
266.08603	2.4
284.09775	15.1
331.12238	1.8
405.14703	1.4
414.23065	2.9
460.23215	2.2
504.18402	3.1
504.24866	17.6
532.72137	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.2
55.01865	5.4
55.05510	20.2
56.96569	3.8
57.03431	7.9
57.07068	3.2
61.02921	8.4
67.05510	49.4
69.03424	20.2
69.07073	38.6
70.07359	2.9
73.02908	9.0
79.05493	20.8
80.29733	2.8
81.03445	20.3
81.07057	70.0
81.28128	3.1
83.04968	4.0
83.08622	16.7
85.02907	38.0
85.06526	5.1
87.00819	16.1
91.03978	4.8
91.05485	35.2
93.07046	92.2
95.04979	21.8
95.08613	67.9
97.02903	17.7
97.06541	17.5
97.10166	7.2
98.97575	9.0
99.04458	5.5
105.01897	17.2
105.04444	3.3
105.07038	78.8
107.04929	3.1
107.08603	68.1
109.02879	12.4
109.06474	4.2
109.10159	99.9
111.08073	11.2
117.07005	8.1
119.08588	58.5
121.10156	32.8
123.07971	3.3
123.11707	17.4
125.09654	6.6
127.03930	19.6
131.00095	3.8
131.08543	7.3
133.10124	40.0
134.33139	3.5
135.11700	49.1
136.12085	3.9
137.05963	5.5
139.03716	3.3
145.04961	11.8
145.10114	7.9
147.11690	71.6
149.01231	3.9
149.13248	7.7
157.09985	4.5
159.02959	6.7
159.11734	7.4
161.13225	27.6
163.11185	4.8
164.07019	3.8
165.12750	5.9
173.13289	4.7
175.14833	16.9
181.61681	2.8
187.99551	3.0
189.09012	3.5
203.17969	100.0
221.19107	11.2
284.62970	4.6
293.13367	5.4
293.63498	3.7
353.14001	3.7
365.65234	5.0
374.66034	12.2
375.16248	4.5
458.33487	4.7
471.26416	3.3
504.32059	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	504.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.2
55.01865	5.4
55.05510	20.2
56.96569	3.8
57.03431	7.9
57.07068	3.2
61.02921	8.4
67.05510	49.4
69.03424	20.2
69.07073	38.6
70.07359	2.9
73.02908	9.0
79.05493	20.8
80.29733	2.8
81.03445	20.3
81.07057	70.0
81.28128	3.1
83.04968	4.0
83.08622	16.7
85.02907	38.0
85.06526	5.1
87.00819	16.1
91.03978	4.8
91.05485	35.2
93.07046	92.2
95.04979	21.8
95.08613	67.9
97.02903	17.7
97.06541	17.5
97.10166	7.2
98.97575	9.0
99.04458	5.5
105.01897	17.2
105.04444	3.3
105.07038	78.8
107.04929	3.1
107.08603	68.1
109.02879	12.4
109.06474	4.2
109.10159	99.9
111.08073	11.2
117.07005	8.1
119.08588	58.5
121.10156	32.8
123.07971	3.3
123.11707	17.4
125.09654	6.6
127.03930	19.6
131.00095	3.8
131.08543	7.3
133.10124	40.0
134.33139	3.5
135.11700	49.1
136.12085	3.9
137.05963	5.5
139.03716	3.3
145.04961	11.8
145.10114	7.9
147.11690	71.6
149.01231	3.9
149.13248	7.7
157.09985	4.5
159.02959	6.7
159.11734	7.4
161.13225	27.6
163.11185	4.8
164.07019	3.8
165.12750	5.9
173.13289	4.7
175.14833	16.9
181.61681	2.8
187.99551	3.0
189.09012	3.5
203.17969	100.0
221.19107	11.2
284.62970	4.6
293.13367	5.4
293.63498	3.7
353.14001	3.7
365.65234	5.0
374.66034	12.2
375.16248	4.5
458.33487	4.7
471.26416	3.3
504.32059	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	504.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49138	1.6
53.03945	13.4
55.01874	7.8
55.05515	10.0
57.03417	4.7
61.02918	4.2
65.03933	2.0
67.05503	21.1
68.23916	1.4
68.99785	4.4
69.03431	23.6
69.07069	12.7
70.81697	3.6
70.82038	1.5
71.04980	3.8
73.02914	4.1
73.80447	1.5
79.05495	16.0
81.03418	26.0
81.07059	58.4
83.08620	3.7
85.02907	63.4
87.00839	22.6
91.03952	2.9
91.05476	20.4
93.06480	2.5
93.07048	45.9
95.04961	3.1
95.08611	66.1
97.02899	25.9
97.06532	3.6
97.10161	2.6
97.21912	1.6
99.04454	13.7
99.17857	1.5
105.01871	22.1
105.07033	53.3
107.08596	67.3
109.02220	2.6
109.02890	27.5
109.06536	2.4
109.10153	52.5
117.01829	4.8
119.08587	42.8
121.04834	1.6
121.10155	20.4
123.11705	12.8
125.09573	1.7
127.03925	47.5
129.01833	3.9
131.08612	3.3
133.10149	23.1
133.64011	1.6
135.11703	19.6
137.05977	2.3
139.18469	1.4
143.08574	2.1
145.04979	19.4
145.10109	4.5
147.02936	2.9
147.11696	45.9
149.13251	4.5
151.11186	3.6
159.02919	20.0
159.11710	3.9
161.13264	19.8
163.14807	7.0
175.14845	9.6
203.17964	100.0
205.19511	2.0
221.19090	7.6
231.05055	10.1
275.00906	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.7
57.03433	0.9
61.02919	0.9
67.05503	1.0
69.03427	2.2
69.52599	1.4
69.53006	3.5
71.04997	1.7
79.05499	0.8
81.03401	1.0
81.07040	2.2
83.04978	0.8
85.02908	9.0
85.06537	1.5
91.05439	0.8
93.07023	1.5
95.05035	0.7
95.08608	7.3
97.02888	3.1
97.06481	0.8
98.97588	1.8
99.08098	2.7
101.06033	0.7
103.05477	7.3
107.04956	1.4
109.02838	0.9
111.08123	0.7
111.20035	0.8
111.28912	0.7
113.09663	1.6
120.08109	100.0
123.08080	4.4
127.03941	2.0
131.04939	3.8
134.56911	0.7
135.92674	0.7
140.07129	1.0
141.09114	18.8
143.10681	0.9
145.04977	2.6
147.04424	0.9
149.06000	2.3
159.10173	32.1
166.08646	45.0
191.13986	0.8
208.19096	0.7
219.01839	0.8
237.00211	0.7
237.02876	1.9
260.02078	0.9
321.15451	3.7
358.13806	0.9
362.78094	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01879	2.3
55.05263	1.9
55.05512	23.4
57.03419	1.7
57.07074	5.7
58.09113	1.2
67.05508	32.8
69.06721	2.2
69.07069	24.0
69.53433	8.4
71.08638	2.8
75.76603	1.2
79.05495	24.9
79.21217	1.0
81.03413	13.4
81.07061	40.3
83.04961	1.5
83.08613	22.9
84.94856	1.3
85.06554	3.7
91.05480	20.6
93.07043	36.9
94.13499	1.3
95.04955	7.2
95.08607	29.0
97.06529	3.4
97.10182	11.5
99.08090	1.6
105.06389	2.1
105.07033	25.4
107.04951	1.7
107.08597	22.1
109.06516	1.2
109.10157	10.4
111.08088	2.6
111.11719	1.8
117.07008	6.2
119.08585	29.5
121.06529	1.1
121.10152	15.8
123.08067	2.1
123.11732	3.0
125.09627	2.8
129.07004	4.9
131.08571	15.4
132.29099	1.2
133.10139	12.0
134.34941	1.4
135.11697	10.2
137.09645	2.1
137.13290	2.4
143.08566	5.2
145.10143	13.6
147.11655	7.9
149.09697	2.2
149.13199	6.2
155.08569	3.8
157.10118	7.6
159.11656	6.4
161.13307	6.0
163.11273	2.2
163.14816	5.4
169.10074	2.7
171.11688	4.4
173.13252	4.6
175.11275	1.4
175.14818	4.0
177.12817	1.7
177.16403	3.4
182.64011	1.1
183.11729	1.7
185.13252	3.5
187.14833	3.9
189.16338	2.4
193.12218	4.9
197.13258	2.3
199.14812	2.9
201.16386	3.9
205.15894	1.5
205.19418	1.5
211.14894	1.9
213.16339	2.9
221.84618	1.3
249.14853	1.2
255.21136	1.7
259.96063	1.2
269.22522	1.7
277.21582	1.6
287.23740	1.9
301.25189	1.1
305.24707	2.4
319.26367	2.3
333.27841	3.4
345.28067	1.9
347.29373	4.0
421.34647	7.7
439.35684	18.7
453.37698	2.7
471.38351	32.1
503.41376	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30801	3.5
53.03941	4.3
55.01871	5.3
55.03904	4.2
55.05518	18.0
56.96564	4.1
57.03443	4.7
61.02923	6.5
67.05510	28.7
69.03436	17.1
69.07069	32.6
69.80561	20.4
70.06609	4.7
71.04990	5.3
73.02922	9.3
79.05489	25.0
81.03418	10.0
81.07058	62.5
82.07384	6.0
82.15826	3.7
83.04983	6.1
83.08618	7.9
85.02915	18.1
91.03940	9.9
91.05470	27.6
93.07050	38.5
94.50768	3.9
95.04977	19.2
95.08608	54.7
97.02888	16.9
97.06540	32.0
97.10167	4.1
98.97583	8.3
99.08108	20.6
99.48655	3.9
103.05481	3.9
105.07041	67.7
107.08600	74.4
109.06526	17.4
109.10152	28.9
111.04430	6.2
111.08060	5.0
117.07018	13.2
119.08582	100.0
121.06516	11.7
121.10144	33.6
123.08101	12.0
123.11749	9.0
126.01767	4.7
127.03916	7.4
129.07033	6.9
130.04984	5.6
131.08568	64.5
132.95848	4.7
133.10133	57.1
135.08075	8.4
135.11696	25.5
137.05965	6.5
137.09653	5.0
137.13310	6.4
143.08615	18.2
145.10127	83.1
147.08057	6.6
147.11696	80.0
149.09633	7.6
149.13264	14.3
151.11301	4.1
157.10150	28.0
158.10878	4.9
159.11697	58.3
161.09668	14.2
161.13211	20.9
163.11177	21.9
163.14821	14.7
169.10138	14.2
171.11758	18.7
173.09708	8.4
173.13263	45.9
174.13628	4.5
174.96935	6.1
175.11261	7.9
175.14825	58.7
177.12732	28.2
177.16397	6.3
179.14288	6.0
183.11772	15.1
185.13313	21.5
187.14821	69.2
189.09087	4.4
189.12794	10.3
189.16437	8.5
191.14330	38.2
195.04387	4.5
195.11819	5.3
195.13689	6.2
197.13319	11.3
199.14777	18.0
201.12737	13.1
201.16397	61.8
203.14258	20.6
203.18008	7.3
205.15875	9.7
211.14822	7.8
213.16464	14.2
215.14360	11.4
215.17978	4.9
217.15930	6.2
219.13818	9.2
219.17453	20.8
223.14850	4.8
229.15916	7.0
234.99083	5.4
241.15973	7.6
247.16995	6.1
255.06499	9.7
259.09558	4.2
269.22812	4.7
319.01624	4.3
349.25211	7.9
353.13965	4.8
353.24637	5.2
365.28357	6.2
369.13388	6.3
383.29666	5.5
393.31476	12.3
399.29196	4.6
403.30002	19.8
411.32953	8.8
421.31039	52.3
429.29901	11.5
439.32111	65.3
441.29684	34.3
443.16977	4.7
449.30569	8.8
457.33118	20.5
467.31516	16.5
485.33243	21.5
503.24796	13.3
503.32034	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	503.238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.1
55.05502	7.7
56.96567	2.0
57.03428	2.9
58.96878	0.9
67.05508	13.8
69.03437	1.2
69.07079	4.8
70.67545	0.8
71.04981	1.3
71.08646	1.3
71.56489	1.5
73.02917	1.1
79.05500	8.7
80.56564	0.8
81.03416	2.1
81.07061	10.9
83.04983	2.9
83.08620	3.3
85.02910	2.4
85.06522	1.4
90.94794	1.4
91.05471	7.2
93.07042	8.2
95.04972	4.5
95.08604	5.5
97.06525	3.0
97.10197	1.6
98.21255	1.2
99.56455	1.0
105.07015	4.6
107.08586	5.3
109.06502	1.8
109.10162	3.9
117.07016	2.3
119.08576	1.9
121.10169	1.5
125.09638	1.1
131.08582	1.3
133.10162	2.1
134.98192	11.6
145.10150	2.3
147.11682	1.7
149.13324	1.0
154.94136	1.0
170.99129	1.2
176.99316	1.6
209.01895	3.2
213.03664	1.4
241.55547	0.9
253.12953	1.5
265.73499	1.0
275.80942	0.9
279.06821	2.8
281.10428	1.1
291.15659	1.3
297.02649	1.1
297.07837	9.1
305.10809	2.0
317.19937	1.5
320.09494	1.6
323.90494	1.0
335.21365	2.9
347.11191	1.9
349.16553	2.0
373.23486	6.0
389.12384	1.3
391.24527	100.0
403.14142	3.8
409.25519	2.4
429.19086	1.0
467.21616	1.8
471.21088	2.2
485.16470	1.8
485.22409	5.2
490.46512	1.2
503.23822	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.1
55.05502	7.7
56.96567	2.0
57.03428	2.9
58.96878	0.9
67.05508	13.8
69.03437	1.2
69.07079	4.8
70.67545	0.8
71.04981	1.3
71.08646	1.3
71.56489	1.5
73.02917	1.1
79.05500	8.7
80.56564	0.8
81.03416	2.1
81.07061	10.9
83.04983	2.9
83.08620	3.3
85.02910	2.4
85.06522	1.4
90.94794	1.4
91.05471	7.2
93.07042	8.2
95.04972	4.5
95.08604	5.5
97.06525	3.0
97.10197	1.6
98.21255	1.2
99.56455	1.0
105.07015	4.6
107.08586	5.3
109.06502	1.8
109.10162	3.9
117.07016	2.3
119.08576	1.9
121.10169	1.5
125.09638	1.1
131.08582	1.3
133.10162	2.1
134.98192	11.6
145.10150	2.3
147.11682	1.7
149.13324	1.0
154.94136	1.0
170.99129	1.2
176.99316	1.6
209.01895	3.2
213.03664	1.4
241.55547	0.9
253.12953	1.5
265.73499	1.0
275.80942	0.9
279.06821	2.8
281.10428	1.1
291.15659	1.3
297.02649	1.1
297.07837	9.1
305.10809	2.0
317.19937	1.5
320.09494	1.6
323.90494	1.0
335.21365	2.9
347.11191	1.9
349.16553	2.0
373.23486	6.0
389.12384	1.3
391.24527	100.0
403.14142	3.8
409.25519	2.4
429.19086	1.0
467.21616	1.8
471.21088	2.2
485.16470	1.8
485.22409	5.2
490.46512	1.2
503.23822	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
56.00912	0.6
56.96520	0.8
61.02905	0.7
69.03417	1.5
69.67018	3.5
70.06595	0.8
79.05482	2.0
81.03418	1.7
81.07053	1.4
85.02907	7.2
86.09657	0.7
87.56517	0.6
91.05460	4.1
94.04191	2.4
97.02885	2.1
98.97563	1.2
99.04459	0.9
103.05479	1.4
105.07045	4.6
107.04919	1.2
109.02847	1.3
109.06511	2.1
115.05460	3.3
117.03380	1.0
117.07022	1.7
119.08588	2.5
121.10109	0.9
122.03658	7.3
127.03915	1.0
128.06224	0.9
129.06996	2.7
131.04964	1.1
131.08586	1.3
132.05695	2.7
133.06474	4.2
137.05981	100.0
144.05699	0.7
145.06470	1.3
147.04381	1.1
147.08051	3.0
149.05986	1.1
159.08081	1.7
160.05226	1.5
161.05986	14.3
172.05266	1.2
175.07553	27.2
179.07065	1.3
184.05054	0.9
187.07571	8.6
189.09253	1.0
190.07756	2.4
191.08543	7.0
199.07607	8.5
202.07771	2.8
203.08604	5.4
205.06728	0.8
207.08153	0.8
208.08835	1.1
215.08888	0.8
218.07355	2.9
219.08034	11.6
220.08839	1.4
229.62395	0.7
230.07314	1.0
231.08105	5.9
232.08788	0.8
235.07605	0.9
236.08305	1.9
246.65100	1.0
247.07555	4.6
248.08328	3.4
249.09256	0.9
251.10703	14.6
253.08350	1.1
259.07550	3.4
260.08371	1.5
261.09088	0.8
263.10703	3.6
264.07898	1.3
265.08667	1.2
267.87131	0.7
276.07864	1.2
277.08649	3.1
279.10202	12.3
291.10120	10.2
291.13074	0.9
292.10971	2.2
295.13388	1.4
308.10352	1.0
311.12778	28.7
323.12762	14.1
485.19818	2.7
503.21039	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
56.71425	0.5
69.03419	1.6
69.65292	3.6
79.05502	2.1
81.03418	1.1
81.07056	1.2
85.02902	6.4
86.09701	0.9
91.05486	3.9
93.07026	0.8
94.04198	3.6
97.02902	1.9
98.21483	1.0
98.97581	1.6
103.05515	1.1
105.07037	6.4
107.04946	1.2
109.02835	0.6
109.06515	1.8
115.05477	2.6
117.07011	1.2
119.04929	0.9
119.08580	3.4
121.06509	0.7
122.03643	7.6
127.03915	1.1
128.06239	2.0
129.06976	1.8
131.04942	1.7
131.08621	0.8
132.05708	2.1
133.06505	4.0
137.05981	100.0
143.06058	0.8
145.04933	0.6
145.06467	0.9
146.03621	0.8
147.04425	1.1
147.08122	2.6
149.05978	1.3
155.04947	1.4
157.06519	0.8
159.08049	2.0
160.05222	1.1
161.05994	12.4
163.07564	1.0
165.46272	0.5
172.05151	0.9
175.07550	26.0
179.07091	1.3
184.05280	0.8
187.07555	9.3
189.07121	0.6
189.09018	0.7
190.07829	2.6
191.08530	6.9
199.07536	7.7
202.07803	2.0
203.08556	3.5
208.08832	0.9
217.08618	1.2
218.07355	1.5
219.08046	10.7
220.08839	1.6
223.11606	0.6
231.08060	5.5
232.08740	0.9
233.09741	1.1
235.07588	1.1
236.08336	1.4
237.02740	0.6
237.05873	0.7
237.09145	0.6
247.07588	3.5
248.08382	2.8
249.09181	1.3
251.10678	14.7
259.07458	2.7
260.08408	1.7
261.09143	1.2
263.10672	2.6
264.07855	1.0
265.08420	1.1
274.06680	0.6
276.07892	1.7
277.08594	1.6
279.10153	12.9
279.13110	1.0
280.11050	1.0
291.10150	9.1
292.10956	2.3
295.09692	0.6
295.13235	0.9
296.10471	1.6
308.10269	0.7
311.12796	25.9
323.12750	14.9
341.13919	1.5
390.09372	0.6
417.15881	1.1
485.19461	3.1
503.20859	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01867	1.9
56.96551	1.7
57.03433	2.1
61.02908	3.5
63.39125	0.8
69.03432	7.2
70.06604	1.7
70.80247	1.1
70.80556	1.5
73.02905	2.0
79.05492	2.6
79.05976	0.7
81.03400	3.0
81.07047	1.7
85.02431	1.2
85.02910	17.4
85.99823	0.8
87.04473	1.6
91.03939	1.1
91.05485	4.3
93.07026	1.6
94.04174	2.5
97.02906	7.0
98.84700	0.8
98.97572	2.4
103.05470	2.9
105.07024	3.3
107.04958	1.3
107.08543	1.0
109.02838	1.3
109.06487	2.1
112.99104	1.0
115.05455	3.7
117.07029	1.5
119.08570	3.0
122.03625	6.6
126.48063	0.9
127.03880	3.7
127.26069	1.0
128.06181	2.6
129.06989	2.3
131.04919	3.5
132.05704	2.9
133.06479	2.4
133.10060	1.3
137.05981	100.0
141.06909	1.4
145.04967	2.2
145.06494	1.2
146.85312	0.8
147.08054	3.3
149.05925	1.1
155.04901	1.5
158.99628	1.2
159.08046	2.4
160.05199	1.7
161.05988	9.8
163.07550	10.1
171.08040	1.7
175.07552	40.3
184.05142	1.3
187.07578	7.2
191.08559	4.8
191.14159	1.1
199.07553	14.0
201.09082	1.3
202.07751	4.4
203.08537	7.6
218.07240	1.7
219.08052	8.6
220.08830	2.5
226.77592	1.1
231.08041	7.9
232.08675	1.6
236.08234	0.9
237.09212	1.4
247.07466	3.3
248.08360	4.2
249.08913	0.9
251.10725	9.3
259.07602	4.8
261.09503	1.2
263.10638	3.7
264.07703	1.4
265.08447	1.6
267.08942	4.0
276.07867	2.0
277.08572	3.3
279.10135	9.7
285.10104	3.4
291.10223	11.2
292.10880	3.8
293.08258	1.3
293.11655	1.0
295.13211	1.1
308.10446	1.3
309.10156	2.0
311.12781	22.7
323.12750	20.6
325.14352	1.7
440.40927	0.9
485.19391	3.2
503.19974	15.1
503.32031	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01866	5.0
55.05513	50.0
57.03432	5.8
57.07077	2.3
59.04992	5.2
65.03933	2.9
67.05508	100.0
67.64207	1.7
69.03428	4.0
69.07071	16.5
71.01337	3.8
71.04986	5.9
71.56845	1.8
73.02901	5.3
79.05068	2.4
79.05494	30.4
81.03422	18.7
81.07061	59.4
83.04996	12.5
83.08624	32.4
85.02905	18.3
85.06538	3.8
87.04462	9.5
91.05492	28.0
93.07046	31.1
95.04979	8.7
95.08597	21.3
97.02872	6.9
97.06522	8.8
97.10178	43.8
99.08082	3.6
103.03927	1.8
105.07049	9.5
107.04963	5.3
107.08598	28.6
109.06528	4.2
109.10162	65.1
111.04478	4.8
111.08073	9.1
117.07043	8.5
119.08560	11.1
121.06523	2.6
121.10116	11.3
123.08058	5.0
123.11701	1.6
125.08775	3.4
125.09637	49.1
125.10555	2.8
131.08586	11.6
133.10118	16.1
135.08052	3.5
135.11702	13.4
137.09613	5.5
143.10660	7.4
145.10123	9.5
147.08044	4.0
147.11668	6.0
148.05792	1.9
149.09637	2.1
149.13268	18.1
151.11246	2.6
153.12741	4.8
155.10703	12.8
157.12230	4.9
159.11697	10.5
163.11169	17.7
165.12674	2.8
167.14371	1.8
168.95691	2.6
173.09671	3.1
173.11758	65.1
175.11078	2.3
177.12794	8.8
181.12291	4.5
186.96777	6.0
187.13293	26.0
191.10706	6.8
193.12285	10.4
195.13821	41.2
199.13255	2.2
204.97824	2.7
209.11719	18.2
213.14842	5.7
224.98422	1.8
225.14867	2.9
226.18082	2.9
227.12741	8.6
227.16350	8.3
269.10425	2.0
355.23227	1.9
367.17712	3.5
374.15839	1.8
444.46973	1.7
461.20132	2.2
502.36172	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01859	2.6
56.96555	2.8
57.03428	3.7
61.02922	4.9
63.81647	0.9
67.38401	0.8
69.03085	1.7
69.03432	18.0
70.06590	2.4
71.05009	5.2
71.56241	1.4
72.08132	1.5
73.02917	2.0
79.05442	1.0
81.02982	1.6
81.03419	19.9
81.63329	0.9
84.08153	2.5
84.96056	1.0
85.02439	1.9
85.02909	21.1
86.09714	1.1
87.04478	2.1
91.03989	1.2
91.05511	1.4
97.02909	8.1
98.46996	0.9
98.97580	10.5
99.04452	7.3
109.02882	2.2
116.98605	3.2
127.03909	3.9
130.66508	1.0
133.07603	2.2
137.05952	1.6
145.04938	3.6
147.04477	1.3
149.75468	1.1
158.99643	2.8
161.07126	5.1
163.08627	5.1
173.09386	1.2
177.00735	2.4
178.07463	1.3
179.03416	2.3
179.08249	1.2
189.06660	5.4
191.08133	5.6
207.07655	100.0
219.01666	2.2
237.02850	2.1
249.08789	1.3
263.09555	1.6
281.10522	2.6
287.10083	1.1
299.11664	1.5
305.10910	2.4
323.12354	28.9
326.48352	1.0
337.72079	1.2
341.13443	98.1
365.89145	1.0
390.99548	1.0
443.15982	4.0
503.20383	8.6
503.28635	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01877	7.6
55.05514	69.2
55.63581	1.6
57.03436	7.2
57.07074	8.4
59.04990	6.0
60.54192	1.5
60.89174	1.6
65.03951	2.1
67.05508	100.0
69.03426	8.2
69.07076	17.1
71.01357	2.9
71.04995	6.9
71.27905	2.1
73.02907	4.0
75.64059	1.4
78.59913	1.6
79.05496	36.0
81.03419	14.3
81.07057	65.9
83.04988	12.1
83.08619	30.3
85.02908	25.7
85.06560	10.9
87.04466	13.6
87.10605	1.5
91.04916	1.8
91.05479	34.1
93.07053	30.8
95.04948	7.5
95.08616	20.4
97.02876	4.6
97.06535	9.2
97.10172	50.8
99.08088	4.3
103.03941	3.8
104.55519	1.7
105.07032	11.2
107.04919	3.9
107.08604	27.6
109.06506	5.7
109.10155	64.0
111.04449	3.8
111.08089	10.7
112.61020	1.6
113.06031	2.1
117.07012	9.4
119.08617	10.7
121.06525	2.7
121.10137	9.4
123.08067	4.5
123.11685	2.9
125.09631	66.3
127.07549	4.8
129.06998	2.2
131.08589	9.6
133.10136	68.6
135.08075	4.0
135.11708	14.1
137.09610	5.4
141.09163	1.8
143.10704	11.1
145.10127	6.9
147.08041	4.8
147.11719	3.7
149.09619	16.8
149.13260	13.8
153.09145	4.2
153.12752	7.4
155.10655	17.2
157.10124	1.7
157.12242	6.8
159.11703	12.9
163.11185	17.7
171.10173	8.1
173.09607	4.3
173.11745	52.1
175.11302	1.8
177.12712	9.9
181.12245	4.2
187.13316	8.6
189.11235	7.6
191.10677	9.3
193.12311	7.2
195.13811	45.9
195.15500	3.3
197.10091	1.5
199.13306	4.8
204.78094	1.6
209.11774	18.9
213.14880	8.9
223.13383	3.4
227.12822	11.8
227.16408	3.9
273.86069	1.7
282.63141	1.4
393.60278	1.9
455.93042	1.9
502.34988	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
55.01871	1.8
55.05516	17.2
57.03430	0.9
57.07077	1.0
59.04986	1.9
65.03934	1.8
67.05508	31.6
69.03424	1.2
69.07071	14.6
69.72292	3.3
69.72716	1.3
71.05006	1.1
79.05501	17.6
79.64464	0.9
81.07061	34.9
83.04969	2.4
83.08617	6.5
84.79800	1.0
85.06561	2.7
85.74173	0.9
91.05479	21.8
93.07047	20.2
95.04974	2.9
95.08616	27.9
97.06541	3.5
97.10174	4.6
99.08089	1.3
103.05466	0.9
105.07033	35.0
107.08603	13.8
109.06557	1.5
109.10168	13.3
115.05503	0.9
117.07020	11.3
119.08588	30.5
121.10142	9.3
123.08089	1.2
123.11720	3.8
129.06996	5.1
130.07846	1.0
131.08565	21.7
133.10138	22.5
135.08066	1.3
135.11684	6.4
137.13268	1.0
139.11214	1.5
141.06947	1.5
143.08545	7.5
145.10123	18.4
147.11688	11.0
149.13284	3.0
155.08609	3.3
157.10156	7.0
159.11688	12.8
161.13274	7.4
163.11263	1.4
167.08615	1.2
169.10158	3.1
169.68054	0.9
171.11646	5.4
173.13260	10.7
175.14848	3.8
181.10187	1.7
183.11774	3.5
185.13277	5.3
187.13379	1.0
187.14761	5.0
189.16449	1.7
195.11755	2.0
197.13330	3.4
199.14882	2.6
201.16460	1.4
209.13211	2.4
211.14876	2.2
216.68663	0.9
223.14825	1.2
225.16508	1.7
243.17401	1.2
271.20551	1.3
285.22150	3.1
299.23737	2.2
303.23242	1.5
317.24734	3.6
331.26407	1.6
345.27911	1.6
349.77997	1.0
356.69733	0.8
401.32922	1.0
419.33148	3.9
431.31567	1.3
437.34299	13.1
451.35876	1.5
469.36792	16.9
479.97314	1.0
501.39456	100.0
502.40143	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	14.8
56.96577	3.2
59.04987	3.2
61.02930	3.2
66.33788	2.8
67.05500	28.0
69.07069	22.6
71.04990	5.6
71.23248	2.6
71.56771	4.0
79.05495	17.1
81.03434	5.1
81.07066	39.7
83.04987	4.3
83.08620	11.6
85.02892	8.3
85.06514	4.0
91.05495	22.5
93.07048	36.3
95.04976	6.2
95.08604	42.0
97.06525	7.0
99.08115	2.9
105.07026	49.1
107.08591	61.0
107.09302	4.6
109.02915	4.2
109.06489	4.5
109.10161	44.3
111.08022	2.8
117.07002	8.6
119.08576	100.0
121.06534	4.1
121.09306	4.8
121.10147	45.1
123.08050	7.8
123.11732	14.4
125.05986	3.5
125.09647	4.8
129.05528	3.7
129.06989	8.5
131.08568	47.6
133.10133	53.9
135.08076	8.8
135.11690	28.2
137.06007	5.9
137.09613	4.1
142.07800	5.1
143.08563	24.0
144.09254	3.5
145.10132	60.0
145.28622	3.0
147.08035	8.0
147.11708	28.8
149.09575	3.3
149.13243	9.0
151.07562	4.9
151.11246	4.6
153.09148	5.1
155.08563	5.6
156.09361	6.2
157.10117	21.4
159.08014	4.6
159.11670	24.8
161.09663	4.7
161.13255	22.0
163.07520	3.6
163.11194	7.3
163.14825	12.8
169.10088	7.0
170.10887	3.5
171.11687	12.0
173.09608	3.5
173.13258	39.2
175.11250	5.8
175.14821	46.1
177.12794	12.4
177.16357	12.2
181.10170	3.4
183.11671	7.9
185.13249	58.7
187.14830	73.8
189.09203	3.4
189.12738	8.8
189.16385	25.1
191.14301	28.5
191.17979	6.3
192.51192	2.9
193.16013	3.5
195.11844	3.7
197.13225	8.5
199.14815	27.1
201.12689	3.4
201.16408	47.5
203.14342	29.6
203.17944	12.9
205.12224	3.6
205.15932	11.5
211.14888	4.3
213.16397	18.8
215.14336	5.1
215.17892	7.0
217.15929	7.7
219.13957	3.8
219.17368	7.3
221.13350	2.9
225.16440	5.8
227.17982	7.7
229.19485	4.7
231.13875	6.3
231.17477	4.2
233.15425	7.3
235.13222	3.6
235.17007	5.1
239.18034	5.2
241.19574	4.3
245.15312	5.8
247.16934	12.1
249.14851	36.2
251.17967	4.2
259.16995	5.3
261.14877	9.6
263.16306	4.3
293.13309	4.5
293.62939	2.9
307.24292	7.0
353.24689	7.2
371.25732	13.1
373.29099	4.5
375.30319	5.5
381.27716	5.4
389.23056	3.4
391.29883	28.8
393.31406	4.1
409.31207	22.1
411.32407	5.7
419.29379	23.0
421.31012	7.0
437.30484	43.5
439.32040	5.1
449.43457	4.2
455.31604	41.1
457.27945	10.5
465.29922	9.9
483.30954	7.7
501.31180	22.9
516.44843	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	501.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
55.05516	11.3
57.03423	2.5
57.07067	3.7
59.30764	2.1
59.50728	2.2
65.03934	3.0
67.05213	2.0
67.05507	18.0
69.03408	4.3
69.07088	10.7
79.05494	16.0
79.05889	2.7
81.07063	31.4
82.65874	2.3
83.08614	8.8
91.05486	16.8
93.07059	35.5
95.05017	2.7
95.08615	50.5
97.06528	5.3
98.21486	5.7
99.08096	10.9
105.07036	53.4
107.08598	58.4
109.06506	5.3
109.10158	34.3
111.08044	2.9
115.53226	2.4
117.07005	7.9
117.54852	2.2
119.08589	100.0
121.06503	6.1
121.10159	34.4
123.08054	8.2
123.11710	7.9
125.05953	2.7
129.07027	5.2
130.07796	3.6
131.08591	44.3
133.10138	56.2
135.08044	8.8
135.11707	19.8
137.06021	3.0
137.09615	6.4
142.07803	3.9
143.08577	21.6
144.09332	4.6
145.10124	62.4
147.08043	3.5
147.11700	50.4
149.09615	7.1
149.13249	8.8
155.08580	5.2
156.09326	4.8
157.10114	29.0
158.10858	5.8
159.11705	39.4
161.09587	8.4
161.13246	24.6
163.07553	3.8
163.11208	6.9
163.14856	13.6
169.10115	8.3
170.10880	4.1
171.11693	23.3
173.13264	47.3
175.14847	43.3
177.12698	5.2
177.16414	10.6
179.14360	3.9
181.10173	2.7
183.11703	13.4
185.09680	3.0
185.13280	38.4
187.14827	66.8
189.12756	8.3
189.16399	14.1
191.14310	19.3
195.11740	4.1
197.13304	12.6
199.14844	38.7
201.12796	2.6
201.16388	52.2
203.14337	22.4
203.17992	4.7
205.15868	6.8
207.17508	2.2
209.13194	5.9
209.15112	2.2
211.14857	12.2
213.16426	25.4
215.14290	7.8
215.17830	4.0
217.15823	4.4
219.13853	4.7
219.17422	7.7
221.15236	3.6
223.14897	5.5
225.16277	6.6
227.14348	2.2
227.17889	7.3
229.16039	4.3
231.13835	3.3
231.17389	4.9
233.15337	7.8
235.13286	4.3
237.16393	6.7
239.18019	5.0
245.15411	15.9
247.16922	6.0
249.14856	21.6
251.18066	3.6
253.19611	5.8
259.16870	8.9
267.21021	5.2
273.10699	9.3
305.22562	2.6
307.24191	9.1
309.25778	3.2
325.25162	3.7
353.24713	14.0
363.26767	3.8
373.28958	8.5
375.30319	7.1
391.29968	40.9
393.31577	11.8
401.28052	2.7
403.30002	2.7
409.31213	18.8
419.29465	31.0
421.30972	3.2
437.24554	4.2
437.30536	61.8
455.31717	25.0
465.29752	8.4
483.31152	18.9
501.31256	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	500.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53224	1.6
55.01865	6.6
55.05506	4.5
56.96560	4.7
57.03439	14.7
57.07053	2.2
59.04991	2.0
61.02931	8.2
64.06343	1.5
67.05511	10.5
69.03429	19.7
69.07055	5.7
70.06593	4.3
71.01348	2.6
71.04994	17.0
71.08636	15.7
73.02922	33.3
77.61871	1.3
79.05489	2.4
81.03416	8.8
81.07070	7.7
83.04996	2.4
83.08612	5.3
85.02916	43.1
85.03431	2.1
86.09685	1.7
91.03956	1.5
91.05470	4.5
93.07033	3.4
95.04981	1.6
95.08592	4.7
97.02902	33.2
97.06516	2.6
98.97585	23.6
99.08105	18.7
99.97923	2.5
102.05708	1.4
105.07022	2.8
107.08609	3.9
109.02859	4.9
109.10162	36.2
112.09346	1.7
112.99107	5.1
115.03956	13.5
116.98615	7.6
121.10183	2.6
125.02387	2.6
127.03911	12.6
127.11237	7.7
131.00139	2.2
132.00539	1.5
133.04987	17.2
133.10109	1.8
136.07552	2.9
137.05989	2.9
140.07164	1.5
145.04964	15.6
145.12245	100.0
149.01213	2.5
153.12750	3.1
158.99678	9.8
160.00069	2.1
163.06071	7.0
164.07048	5.2
171.13791	15.7
173.01196	4.6
174.01501	1.7
177.00732	4.6
182.08119	5.0
187.07904	1.9
189.14870	67.7
189.93175	1.6
219.01674	2.5
223.06027	4.7
237.02936	2.2
241.07040	4.4
241.14406	1.8
259.08163	5.8
267.15891	5.7
268.10880	1.5
285.09964	1.6
285.16763	5.4
295.10181	2.1
311.15274	1.6
312.15335	2.1
414.18817	4.9
431.19470	3.3
432.19925	15.6
456.19849	5.2
474.21057	9.6
500.20090	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	500.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.05511	0.6
56.96566	0.7
57.03431	0.6
57.06871	0.4
57.07084	5.1
61.02913	1.3
65.73075	0.4
67.05485	0.7
69.03423	1.2
69.07076	0.5
71.81479	0.4
76.04002	1.7
79.05491	1.1
81.03411	1.3
81.07050	1.6
85.02901	1.9
86.09695	0.5
87.00811	0.8
87.08092	0.6
91.05467	3.3
93.07047	6.3
95.04981	1.1
95.08620	0.7
97.02887	1.4
97.06535	1.3
98.97599	0.9
103.05459	3.1
105.07072	0.9
107.04942	0.6
107.08571	0.6
110.97589	0.4
112.99194	0.5
119.04925	0.5
119.08581	0.9
121.06506	100.0
127.03880	0.6
128.98543	0.4
130.43057	0.4
131.00108	0.6
131.08589	0.6
133.06474	1.3
133.10150	0.5
138.09138	1.3
142.12270	0.9
143.12653	0.5
145.05017	0.5
145.06467	0.5
145.10106	0.7
147.11624	0.4
150.09151	6.8
159.02884	0.6
161.05977	0.8
178.08661	0.5
196.09692	18.6
213.21007	0.4
252.15950	91.0
259.09531	0.5
272.15009	0.4
294.62991	0.5
389.82870	0.4
425.20554	0.4
456.27463	0.5
500.20389	4.4
500.29498	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.5
56.05032	1.6
56.96560	0.6
57.03439	1.0
58.06599	1.5
60.08165	17.6
62.99075	0.6
67.05510	1.8
69.07069	0.7
70.06606	1.4
71.05005	1.0
71.07380	6.1
71.56624	0.8
72.08167	0.7
79.05481	2.0
81.03429	2.9
81.07064	1.7
83.08611	0.8
85.02912	2.1
86.09708	50.9
91.03925	0.6
91.05489	2.5
93.07048	1.9
95.04980	1.3
95.08637	0.8
97.06532	1.3
98.97588	0.8
98.98466	3.4
104.10744	100.0
105.07024	2.0
107.04960	0.8
107.08615	1.2
111.04427	0.5
111.08108	0.5
119.08585	1.6
119.91881	0.4
121.06516	0.6
121.10126	1.0
125.00006	26.5
129.06952	0.7
131.08582	1.0
133.10103	0.8
137.05945	1.1
147.11678	0.9
149.09579	0.8
157.10100	1.1
184.07341	93.5
200.32294	0.5
253.14217	0.6
258.10938	1.4
267.15875	2.3
271.15338	0.6
285.16910	1.1
325.12677	0.9
432.21399	7.7
450.22522	60.8
451.22861	0.7
482.34122	0.9
500.20255	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.2
55.01870	6.2
55.05515	26.9
57.03195	1.9
57.03444	30.1
57.07061	7.2
58.06584	8.0
59.07361	2.5
60.08174	4.5
61.02930	63.5
65.03940	2.6
67.05506	85.1
69.03085	2.2
69.03436	35.2
69.06728	2.7
69.07069	34.8
71.01341	5.8
71.04984	8.0
71.08609	3.4
73.02925	28.8
75.04460	2.6
79.05502	27.2
81.03424	26.0
81.07060	82.9
83.04972	5.2
83.08620	20.7
85.02906	68.6
85.10164	2.9
86.09705	5.5
87.04453	2.9
90.13066	1.8
91.03957	40.2
91.05486	19.8
93.07053	27.8
95.04959	4.5
95.08610	63.7
97.02892	51.5
97.06511	6.1
97.10174	12.5
98.98466	2.5
99.04440	8.2
99.08108	3.4
101.02387	12.4
103.03957	9.5
104.10739	6.5
105.07049	13.7
105.11098	3.8
107.04946	2.4
107.08597	15.3
109.02903	10.2
109.06522	4.1
109.10162	26.4
111.08060	4.1
111.11720	3.6
113.09652	3.1
115.03913	5.6
117.05501	2.5
117.07043	3.7
119.08585	13.7
121.10146	16.9
123.08035	2.8
123.11709	17.4
125.09617	3.5
127.03924	19.9
129.05460	6.1
131.08574	5.9
133.10144	15.1
135.11728	10.6
137.13229	5.2
143.08594	2.8
144.10182	2.2
144.47586	1.7
145.04970	13.4
147.11665	8.8
149.13246	6.8
151.11211	2.5
151.14824	3.9
157.10063	2.4
159.06479	3.4
159.11740	2.8
161.13275	6.0
163.14827	7.1
171.11685	2.0
175.11137	2.2
175.14787	5.7
177.16492	2.0
179.14351	3.5
183.06522	7.6
184.07300	4.7
185.07729	1.9
186.07750	2.4
201.07578	5.8
236.14934	15.6
237.15279	8.4
245.22632	11.5
261.22104	2.1
263.23682	24.9
270.48489	1.8
317.24725	2.3
337.27374	100.0
365.26611	3.0
371.25626	3.3
445.29138	2.3
481.31223	7.4
481.37381	4.1
499.31989	31.6
499.38245	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	499.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43238	2.1
53.03947	3.7
55.01876	5.9
55.05511	34.0
57.03442	26.2
57.07067	7.8
61.02927	60.5
65.03958	3.8
67.05506	88.3
69.03427	33.4
69.07068	43.3
71.01359	6.3
71.04993	5.2
71.08620	5.3
71.57127	4.4
73.02921	28.0
79.05487	31.2
81.03418	28.9
81.07057	100.0
83.04990	8.0
83.08623	27.3
85.02903	54.9
85.06525	5.3
87.04497	3.2
91.03954	35.0
91.05476	27.9
92.36954	2.5
93.07040	33.7
95.04956	6.2
95.08604	76.1
97.02895	42.5
97.06543	8.7
97.10186	16.3
98.98466	4.9
99.04473	8.4
99.08092	3.6
101.02396	11.3
103.03960	8.1
103.05490	3.0
105.07024	22.9
107.08587	24.1
109.02892	9.5
109.06535	4.7
109.10145	27.7
111.04433	6.3
111.08106	4.0
111.11745	3.8
117.07016	7.8
119.08582	16.1
121.10159	16.4
123.08042	2.8
123.11724	11.7
125.09590	3.9
127.03912	24.5
129.05481	4.9
129.07008	4.4
130.20462	2.5
131.08521	6.4
133.10133	17.7
135.08044	3.4
135.11681	11.9
137.09624	3.9
137.13251	5.7
143.08640	2.9
145.04967	8.8
145.10112	6.8
147.11694	14.7
149.13226	8.5
151.14827	5.5
154.00946	2.9
159.06577	3.0
159.11702	5.2
161.13263	9.9
163.14861	5.1
165.16367	3.3
169.10110	2.5
173.13199	5.9
175.14912	6.4
179.18187	3.2
183.06543	6.6
183.11601	3.2
185.13304	3.1
187.14835	3.1
189.16374	4.5
197.13539	2.6
197.85353	2.9
201.07564	4.3
221.15295	3.0
245.22696	14.3
263.23715	23.8
305.24890	5.0
309.24240	19.0
327.25351	10.7
329.24716	3.6
337.27359	89.4
365.26944	5.9
371.25800	5.0
389.26563	4.2
407.27402	3.3
421.29858	3.2
445.29391	3.6
481.31638	6.1
499.32944	40.6
499.39340	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	499.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06310	1.0
55.05500	2.2
56.96572	0.9
57.03448	1.4
57.73463	1.1
61.02918	1.2
65.03941	1.4
67.05499	1.4
69.03429	3.5
69.07069	2.6
70.06595	6.5
71.56280	1.3
72.08136	3.1
73.02931	2.8
76.32415	1.2
79.05489	2.3
81.03412	1.5
81.07053	3.9
83.08620	1.4
84.08147	1.5
85.02898	8.3
86.09690	2.3
91.05487	2.0
92.05021	1.5
93.07008	1.5
94.06577	1.3
95.04958	2.1
97.02895	3.6
97.06533	2.5
98.06071	1.4
98.06845	1.4
98.97591	2.2
105.07035	1.6
108.08128	1.6
108.66778	1.0
109.02852	1.1
109.06538	3.2
109.26868	0.9
111.08114	1.4
120.04451	2.0
121.06506	1.2
122.06051	1.1
124.07593	2.4
126.09161	100.0
127.03934	2.4
129.10265	1.1
136.06192	1.2
137.05949	3.0
137.09679	1.1
138.05507	11.8
138.09145	2.9
145.04968	2.3
146.54250	1.1
148.03903	7.8
150.05524	9.9
154.08650	1.7
162.05501	1.3
164.07086	2.3
166.05011	72.5
189.09134	1.3
194.04497	46.8
209.11742	1.3
212.05556	31.7
226.10948	1.4
227.11801	2.0
230.11525	1.3
233.11681	2.3
234.12027	1.8
237.02844	1.4
250.14560	1.7
251.14748	3.0
255.11301	3.2
270.09998	4.8
272.11493	5.3
273.12402	6.1
282.75357	1.2
283.10864	3.6
301.11844	41.8
319.12888	38.0
321.07700	1.2
323.24246	1.2
347.09198	3.1
349.07053	1.5
481.10782	2.3
481.26990	1.4
499.13571	20.5
499.28085	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	499.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.5
56.25600	1.3
56.96563	1.9
60.69623	1.5
61.02914	2.2
63.17585	1.3
65.03923	1.6
67.05468	1.3
69.03429	2.5
69.07059	2.4
69.48557	1.3
70.06584	3.7
71.16762	3.8
73.02895	1.5
79.05492	3.1
79.07204	1.3
81.03395	1.7
81.07045	5.7
83.04987	1.8
83.08618	2.8
84.08107	1.9
85.02919	10.1
89.38216	1.4
91.05479	1.6
93.07037	1.9
94.06582	2.4
97.02888	5.3
98.06049	2.2
98.97578	5.9
105.07050	2.2
107.08627	1.6
108.08102	2.5
109.06506	6.9
119.08558	1.6
120.04450	3.4
121.02885	10.9
122.06035	1.8
124.07575	2.9
126.09156	100.0
127.03942	1.6
138.05484	10.2
138.09125	3.8
140.07074	1.5
148.03944	10.4
150.05479	8.8
158.99652	3.3
160.25343	1.4
163.03870	3.9
166.05008	83.0
176.03436	1.8
188.07219	1.4
194.04497	52.6
203.03427	2.0
206.54640	1.3
212.05528	22.9
219.01665	2.3
221.04674	1.5
226.10913	3.1
227.11761	5.1
228.10213	1.9
255.11317	7.1
270.10010	7.4
271.10745	4.0
272.11569	17.8
273.12289	17.1
283.10727	11.2
285.03986	2.8
287.14084	1.5
301.11826	86.7
319.12888	79.8
319.16693	3.6
321.07532	3.3
327.04474	1.6
337.14182	3.3
337.20578	4.3
349.07114	2.2
351.08472	2.2
361.06967	1.8
363.07169	2.8
379.07803	1.7
463.09998	3.4
481.11426	7.1
488.19806	1.6
499.11554	2.4
499.18622	2.5
499.25494	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	499.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06310	1.0
55.05500	2.2
56.96572	0.9
57.03448	1.4
57.73463	1.1
61.02918	1.2
65.03941	1.4
67.05499	1.4
69.03429	3.5
69.07069	2.6
70.06595	6.5
71.56280	1.3
72.08136	3.1
73.02931	2.8
76.32415	1.2
79.05489	2.3
81.03412	1.5
81.07053	3.9
83.08620	1.4
84.08147	1.5
85.02898	8.3
86.09690	2.3
91.05487	2.0
92.05021	1.5
93.07008	1.5
94.06577	1.3
95.04958	2.1
97.02895	3.6
97.06533	2.5
98.06071	1.4
98.06845	1.4
98.97591	2.2
105.07035	1.6
108.08128	1.6
108.66778	1.0
109.02852	1.1
109.06538	3.2
109.26868	0.9
111.08114	1.4
120.04451	2.0
121.06506	1.2
122.06051	1.1
124.07593	2.4
126.09161	100.0
127.03934	2.4
129.10265	1.1
136.06192	1.2
137.05949	3.0
137.09679	1.1
138.05507	11.8
138.09145	2.9
145.04968	2.3
146.54250	1.1
148.03903	7.8
150.05524	9.9
154.08650	1.7
162.05501	1.3
164.07086	2.3
166.05011	72.5
189.09134	1.3
194.04497	46.8
209.11742	1.3
212.05556	31.7
226.10948	1.4
227.11801	2.0
230.11525	1.3
233.11681	2.3
234.12027	1.8
237.02844	1.4
250.14560	1.7
251.14748	3.0
255.11301	3.2
270.09998	4.8
272.11493	5.3
273.12402	6.1
282.75357	1.2
283.10864	3.6
301.11844	41.8
319.12888	38.0
321.07700	1.2
323.24246	1.2
347.09198	3.1
349.07053	1.5
481.10782	2.3
481.26990	1.4
499.13571	20.5
499.28085	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	499.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	17.4
59.60829	1.4
69.03411	2.8
69.39633	10.6
70.48701	1.1
82.99818	1.6
84.96043	8.8
85.02903	5.1
85.80583	1.2
87.89300	1.0
97.02895	3.4
98.97582	85.6
102.83391	1.2
107.04878	1.1
109.51500	1.0
110.97575	33.6
112.99170	2.4
116.98630	28.7
119.01913	2.2
124.99131	3.5
127.03880	3.1
128.98607	30.5
131.00192	3.7
133.03470	2.3
134.99649	5.5
138.05487	1.3
138.52821	1.2
140.98625	8.4
143.00186	17.5
143.01898	2.8
145.01744	1.5
145.03479	1.9
145.04956	2.0
146.99640	11.7
149.01152	1.6
152.98616	6.7
155.01897	3.1
156.98093	2.0
158.99655	27.9
161.01233	11.6
161.02856	2.8
167.02141	1.4
170.99664	31.5
173.01204	3.8
173.02922	3.5
174.99091	6.9
177.00723	18.4
182.99655	21.6
185.01247	1.8
185.02956	5.0
189.00725	20.3
191.02309	3.4
193.00307	7.0
195.01775	1.8
199.02831	1.9
201.00711	65.8
203.02260	1.8
207.01785	2.9
210.01137	1.3
213.00784	6.9
217.00122	3.6
217.01971	4.4
217.03825	2.5
219.01772	51.7
220.02112	1.7
228.05733	1.9
231.01674	5.8
232.03355	1.9
235.01242	5.3
237.02818	26.6
237.06319	1.7
243.01779	24.0
245.04994	6.4
255.03737	3.9
261.02823	100.0
272.94778	1.2
273.02765	11.2
277.02209	2.0
277.07318	1.4
279.03870	40.8
291.03836	18.2
293.05566	2.2
302.05582	2.9
303.03809	1.5
309.05066	2.3
319.03482	1.5
319.06934	3.4
321.04944	57.4
333.04935	9.4
337.04547	4.0
337.08319	1.6
351.06052	13.9
368.39346	1.3
381.07065	9.9
399.08054	9.4
438.57358	1.4
439.13095	1.5
499.09821	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	498.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.4
54.66576	1.0
55.01860	4.2
55.05508	10.8
57.03422	4.1
57.07082	8.0
59.04707	2.0
59.05001	39.1
61.02915	4.4
66.42443	1.1
67.05502	7.2
69.03438	12.9
69.07070	62.5
70.88963	1.5
70.89296	2.3
71.04974	3.5
71.08632	12.8
73.02904	6.5
73.06560	8.0
77.06017	3.5
79.05498	3.2
81.02992	1.2
81.03423	14.2
81.07058	14.2
83.04990	1.1
83.08604	4.6
85.02906	38.5
85.06533	1.5
85.10191	9.9
87.00835	15.2
87.04452	4.9
91.03943	2.8
91.05465	3.4
93.07032	3.5
95.08599	3.3
97.02889	18.6
97.06512	4.3
97.10179	3.6
98.94376	1.2
98.97590	1.8
99.04449	5.8
105.01868	16.6
105.05511	23.8
105.07005	2.2
107.08612	1.8
108.04457	2.9
109.02894	10.2
109.10152	6.9
111.11723	73.2
115.11195	1.1
117.01810	1.8
117.05476	3.0
123.06557	1.3
123.11671	1.7
127.02979	1.4
127.03917	24.9
127.11175	10.9
129.01817	1.3
129.12759	100.0
131.08453	1.5
133.10106	2.6
137.05986	2.5
140.06984	1.1
144.74158	1.4
145.04974	13.0
145.12222	2.1
146.05966	2.7
146.76036	1.2
147.06732	1.3
149.13234	1.9
156.03442	1.5
159.02898	5.8
159.11674	2.9
168.06563	2.8
169.10139	1.3
176.07048	1.6
177.12767	2.7
187.16885	4.1
195.13751	1.2
204.06602	2.2
206.08109	2.5
211.08600	3.4
213.04057	2.1
215.16434	40.5
225.10274	3.6
231.05057	9.5
233.11847	1.5
233.17453	6.6
239.11742	5.8
240.57707	1.4
243.15874	6.1
249.05966	1.3
249.10138	1.3
252.08937	1.9
253.09851	2.3
259.09583	1.4
267.11237	6.6
269.17474	20.8
295.10675	3.9
295.17209	1.2
297.12241	2.8
301.20023	2.3
313.11823	20.7
323.10178	1.5
324.10498	1.5
341.11298	11.7
355.12921	2.0
373.13974	43.9
416.24316	2.6
418.25067	7.7
436.25821	4.2
462.28006	1.5
466.19498	2.8
480.28214	4.1
498.28595	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01848	5.0
55.05300	1.4
55.05507	12.9
57.03437	8.7
57.07075	12.9
59.05001	36.4
61.02913	6.2
67.05505	17.5
68.99746	1.6
69.03432	16.8
69.07066	74.8
70.06582	1.5
71.01324	1.9
71.04980	4.4
71.08640	15.2
71.56529	1.8
73.02892	5.1
73.06560	7.7
77.06030	3.9
79.05479	5.2
81.03418	14.7
81.07053	22.9
83.08616	6.9
85.02904	41.8
85.06533	2.5
85.10178	9.4
87.00829	16.0
87.03933	1.6
87.04450	6.1
89.05988	1.7
91.03943	2.0
91.05467	6.7
93.07037	6.0
94.76492	1.5
95.04982	1.7
95.08582	3.5
97.02888	23.6
97.06525	5.8
97.10181	8.7
98.97594	2.4
99.04448	7.6
101.02475	1.4
105.01204	1.5
105.01862	21.3
105.05504	25.1
105.06986	3.8
107.08565	3.9
108.04475	2.7
109.02864	13.4
109.09473	1.7
109.10161	17.0
111.11719	73.3
115.11195	6.0
115.87593	1.4
117.05476	4.8
117.07031	2.3
119.08549	1.7
121.10099	4.5
123.11656	2.3
127.03907	26.2
127.10312	2.3
127.11189	34.4
129.01761	1.7
129.12753	100.0
131.08554	1.9
133.10117	5.4
137.05962	3.6
145.04961	12.2
145.12236	4.6
149.13171	3.1
159.02864	7.1
159.11676	6.3
161.13257	2.3
165.16418	1.4
168.06531	3.7
169.10066	1.6
170.15335	1.5
177.12770	8.5
178.78423	1.4
179.14307	3.3
187.16977	2.3
204.06662	3.1
206.08171	1.7
211.08585	2.9
213.03937	1.8
215.14348	2.4
215.16405	38.9
225.10229	3.4
231.04987	8.8
233.17502	14.1
239.11678	4.7
239.44807	1.5
241.09807	2.0
243.15843	17.5
249.06030	3.5
251.16302	2.3
253.09692	5.2
267.11331	6.4
269.17468	41.7
295.10712	3.7
297.12329	1.9
301.20029	6.2
313.11832	29.0
313.15607	2.7
323.10211	1.6
341.11337	14.8
373.09235	3.3
373.13937	61.2
418.24820	11.6
436.25922	4.9
462.28278	2.3
466.19553	6.1
480.28366	5.4
498.15280	2.0
498.22244	4.3
498.30014	3.3
502.84140	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.9
53.42225	2.3
55.01873	25.8
55.05265	3.2
55.05515	40.9
56.96565	3.3
57.03432	13.3
58.49255	2.4
59.04993	4.0
61.02930	19.3
65.03944	3.1
67.05508	65.3
69.03430	13.0
69.07070	20.8
70.06580	6.0
71.01350	10.7
71.04992	5.1
71.56634	4.4
73.02918	23.5
75.31860	2.1
79.05068	4.6
79.05495	60.3
81.03419	86.3
81.07059	47.7
83.04984	38.2
83.08607	16.1
85.02906	35.3
85.06514	2.8
91.03960	13.1
91.05480	32.8
93.07048	48.2
95.04967	21.9
95.08616	32.0
97.02891	65.0
97.06532	18.0
97.10140	13.1
98.97578	7.0
99.04455	4.8
103.03944	3.7
105.07036	15.9
107.04962	59.5
107.08591	34.4
109.02863	2.9
109.06519	7.2
109.10153	40.3
111.04448	22.5
111.08069	11.3
115.05492	2.4
117.07018	21.0
119.08596	21.9
121.06493	8.8
121.10141	18.9
122.06020	2.5
123.04417	5.1
125.06028	3.8
125.09660	12.2
127.03917	9.4
129.07031	10.5
130.07823	4.4
131.04922	4.4
131.08577	19.9
133.10155	5.1
135.04439	5.3
135.08081	4.1
135.11696	37.6
137.05980	6.8
137.09583	3.1
145.04941	3.1
145.10115	37.0
147.06575	8.5
147.08037	9.0
147.11703	4.8
148.07544	3.2
149.09630	3.4
153.12749	51.9
155.08566	6.6
155.10629	5.5
163.09843	5.7
163.11176	84.1
173.09657	20.6
173.11746	15.6
181.12271	22.2
191.10681	26.1
204.10225	2.7
209.11774	19.7
227.12697	9.8
229.14360	100.0
283.15411	7.8
289.73041	3.1
301.16571	6.3
399.22333	3.4
408.22751	3.3
498.20221	13.1
498.28745	2.8
499.21295	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	498.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41189	5.8
53.03926	8.1
55.01869	21.1
55.05511	38.9
57.03424	13.5
61.02924	18.4
64.06372	5.3
67.05513	79.6
69.03418	12.7
69.07066	16.7
71.01345	8.9
71.04988	9.9
71.07129	5.9
71.14809	9.9
72.41151	5.5
73.02898	15.0
79.05492	45.1
81.03416	56.4
81.07066	35.3
83.04982	40.3
83.08609	13.0
85.02909	24.9
91.03988	9.8
91.05490	34.7
93.07040	32.0
95.04961	15.7
95.08621	27.1
97.02913	37.3
97.06527	12.4
97.10186	12.8
98.97592	17.7
100.48015	5.6
103.05444	5.1
105.07012	8.2
106.92876	5.7
107.04981	40.5
107.08601	28.3
109.10162	55.8
111.04443	15.9
111.08080	8.6
116.98621	5.1
117.07021	16.0
119.08590	24.5
121.06516	8.0
121.10141	15.4
125.09645	16.2
129.06964	5.4
131.00145	7.4
131.08595	11.4
135.11668	26.2
137.05939	7.6
137.09668	6.9
139.10057	4.9
145.10112	32.4
153.12740	31.4
155.10661	12.9
158.99654	6.8
163.11186	74.8
165.81004	5.3
173.09592	10.7
173.11763	35.5
181.12260	20.3
184.07324	5.8
191.10707	21.8
198.89761	4.8
209.11725	16.0
219.01624	5.9
227.12817	15.4
229.14348	100.0
244.99686	11.1
283.15271	7.2
297.64133	5.6
301.16602	13.3
336.18323	9.5
498.18655	9.8
513.46155	7.0
514.46161	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	497.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.3
55.01888	9.9
55.05511	24.6
57.03439	33.9
57.07071	6.1
61.02928	63.5
65.03922	4.5
67.05504	91.4
69.03085	2.5
69.03432	39.6
69.07068	21.3
70.01066	9.7
71.01348	6.8
71.04990	6.4
71.08638	3.8
73.02917	39.0
78.50687	1.8
79.05066	4.2
79.05494	59.1
81.03414	29.0
81.07059	94.0
83.04991	7.0
83.08624	12.0
84.08149	6.2
85.02908	60.9
85.06541	3.0
86.09695	9.2
87.04451	5.4
91.03959	43.7
91.05482	46.5
93.07040	77.2
95.04977	10.1
95.08609	72.9
97.02895	52.8
97.06540	7.3
97.10172	5.9
97.60336	2.4
99.04482	10.2
99.08129	2.7
101.02393	11.4
103.03934	9.1
105.04517	2.1
105.07033	43.6
107.04956	6.1
107.08591	41.7
109.02888	6.8
109.06540	6.2
109.10159	28.0
111.04440	4.1
111.08091	3.7
113.06021	2.8
115.03928	6.2
115.05434	5.2
116.30908	2.0
117.07019	24.6
119.04961	4.3
119.08575	35.2
121.06562	5.2
121.10143	30.0
123.08073	3.8
123.11700	10.8
124.99984	7.2
125.09621	5.2
127.03921	18.5
128.06235	3.1
129.05504	9.9
129.07013	16.1
131.08569	35.2
133.06480	8.2
133.10133	29.0
135.08058	4.9
135.11696	22.8
137.09671	3.4
137.13248	6.6
139.11128	2.2
141.06993	5.2
142.07814	2.8
143.08583	14.4
145.04944	6.2
145.06496	5.2
145.10115	31.6
147.08057	5.2
147.11676	19.9
149.09625	5.1
149.13274	17.4
151.11218	2.9
151.14723	2.4
155.08600	5.1
157.06467	3.3
157.10100	11.4
159.06731	2.1
159.08093	5.9
159.11708	16.1
161.09650	3.6
161.13203	13.0
163.11150	4.4
163.14844	10.9
167.08540	3.2
169.10153	5.2
171.08032	4.0
171.11752	8.3
173.09673	4.2
173.13263	14.9
175.11223	2.6
175.14896	8.7
177.12798	3.9
177.16379	6.1
177.55989	2.3
181.10173	4.1
183.06514	2.8
183.08141	2.2
183.11798	4.9
184.07330	26.1
185.09634	2.7
185.13275	7.4
187.11259	3.2
187.14819	8.3
189.12791	3.2
191.14436	3.8
193.10150	2.7
195.11864	2.1
197.09602	2.7
197.13315	3.8
199.11188	2.8
199.14919	4.7
201.12796	3.9
201.16368	3.6
203.14412	3.0
205.15891	3.1
211.14850	4.4
213.12704	2.9
215.85416	1.9
225.12721	2.1
227.14439	2.5
233.15236	2.1
233.22705	3.4
243.21121	14.3
247.17067	2.6
253.16112	3.0
255.21172	4.1
259.20593	6.6
261.22134	30.9
273.22180	7.0
275.23718	5.2
277.21469	2.3
279.23224	4.6
285.22131	4.0
287.23462	2.5
291.23300	4.1
297.22217	3.6
299.23392	2.7
301.21747	4.1
303.23215	12.3
315.23212	9.5
317.24680	10.7
327.23218	6.7
333.24451	5.7
335.19376	3.0
335.25787	54.9
341.24927	4.5
345.24234	5.5
347.25760	2.6
351.23230	9.2
357.24414	4.1
359.25717	3.4
363.25372	3.2
365.26944	2.8
369.24219	19.1
377.26828	8.3
387.25348	7.9
389.26974	6.8
401.27014	3.9
405.26340	6.0
419.27740	11.4
425.26895	7.3
431.27866	10.7
443.27948	49.4
461.28946	30.0
479.30136	28.0
497.19427	5.6
497.31125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.5
55.01873	10.7
55.05514	29.7
57.03438	43.3
57.07061	7.9
60.08159	11.8
60.78070	3.5
61.02928	67.2
65.03978	4.6
67.05507	84.3
69.03426	36.1
69.07072	31.0
71.01363	8.6
71.04991	6.7
71.08608	6.6
71.56873	4.5
73.02928	37.7
79.05490	65.8
81.03425	30.3
81.07066	100.0
83.04988	11.0
83.08620	17.2
85.02905	68.8
85.06512	5.0
86.09710	40.9
91.03970	37.8
91.05485	53.4
93.07049	73.2
95.04991	21.0
95.08615	72.1
97.02895	46.0
97.06549	15.0
97.10179	10.4
99.04465	9.1
101.02370	6.4
103.03934	9.0
105.07038	59.0
106.07342	4.9
107.04962	10.8
107.08579	35.9
109.02908	7.8
109.06513	8.3
109.10158	28.4
111.04485	8.2
111.08072	5.6
117.07012	23.7
119.08566	39.0
121.06533	10.6
121.10161	35.4
123.08064	5.2
123.11716	12.2
125.00007	18.7
127.03925	13.2
129.05463	7.7
129.07005	14.0
131.08595	37.5
131.29778	3.7
133.06502	7.6
133.10162	20.2
135.08011	6.0
135.11714	28.6
137.05972	6.3
137.13264	9.0
143.08557	12.5
145.06570	5.2
145.10127	31.1
147.08046	8.2
147.11685	22.2
149.05930	4.1
149.09653	7.0
149.13210	19.7
157.10164	12.5
159.07993	7.4
159.11687	19.5
161.06021	5.2
161.09659	5.8
161.13271	14.7
161.49817	4.5
163.11198	5.2
163.14816	8.9
169.10109	8.9
171.08022	6.9
171.11674	7.9
173.13264	15.0
175.14903	9.9
182.55650	4.0
183.11682	7.4
184.07350	100.0
185.13278	8.7
187.14734	9.5
191.14291	6.5
199.11328	5.1
199.14864	6.3
203.14383	5.5
211.14928	5.0
211.68152	4.4
243.21147	15.2
259.20627	7.8
261.22226	25.5
273.21927	4.9
275.23590	6.7
303.23141	13.0
315.23300	7.7
317.24765	9.7
327.23352	5.4
333.24203	5.7
335.25851	44.3
341.24646	8.4
345.24045	4.8
347.25696	5.0
351.22998	8.7
355.54941	4.5
363.25146	5.9
369.24414	18.5
377.26465	8.5
387.25336	7.5
389.26764	12.7
394.26688	4.2
405.26654	5.4
419.28018	12.1
425.26566	6.8
431.27231	9.4
443.27869	51.8
454.25620	5.5
461.28757	29.4
466.07022	4.4
479.30243	30.4
497.31079	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74364	0.5
55.05498	1.4
55.54482	0.5
56.96569	3.2
57.03429	1.0
61.02913	2.4
67.05489	1.6
69.03443	1.3
69.07060	1.3
70.06587	1.0
71.04993	0.8
79.05494	1.7
81.03417	1.5
81.07082	2.5
83.04974	1.5
83.08622	0.8
84.96021	1.6
85.02908	3.0
86.09688	0.7
91.03946	1.0
91.05468	2.0
93.07037	2.8
95.04961	0.5
95.08621	2.2
97.02900	1.4
97.06542	2.1
98.20721	1.2
98.97581	6.1
104.10665	0.6
105.07018	1.8
107.08593	3.2
109.06506	0.7
109.10141	1.3
110.97569	1.7
111.08083	0.6
116.98626	2.0
119.08574	2.6
120.08041	0.7
121.10153	2.3
123.08042	0.8
123.11709	0.5
124.99153	0.9
125.09665	1.3
127.03902	1.1
128.98605	1.7
131.00122	0.6
131.08557	1.0
133.10138	1.3
135.11702	1.7
137.05997	1.2
140.98672	0.7
143.00179	1.3
144.98073	0.5
145.04974	0.7
147.04417	0.6
158.99689	2.8
161.01276	1.6
161.13237	3.6
163.11189	0.6
164.07057	0.6
167.14261	0.7
176.69525	0.6
177.00755	2.7
179.14291	5.9
185.01271	1.1
185.04195	0.7
189.00751	0.9
201.00758	1.3
201.12535	0.7
203.05325	2.9
206.11810	0.6
218.99614	0.7
219.01810	2.3
219.13609	2.3
227.05255	1.0
229.36092	0.7
231.13669	0.7
232.09927	0.6
237.02907	2.3
245.06354	4.8
249.14757	3.5
261.13492	0.6
289.05298	24.7
333.04916	0.9
351.05981	1.7
373.22272	0.7
381.18893	2.2
383.10422	0.8
391.21661	0.9
397.81241	0.5
411.19858	2.2
417.24713	2.2
423.19949	7.1
435.20300	0.8
435.25851	1.1
453.20712	9.6
461.27463	1.0
467.18945	27.5
468.19135	0.7
479.28632	0.7
497.13977	7.9
497.19998	100.0
498.20456	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1995
Annotation	Trp Glu Tyr
Peak:m/z	Relative Intensity
50.00871	0.6
55.05506	0.8
69.60638	3.1
69.61049	1.3
71.81125	0.7
81.07039	0.8
85.02923	0.9
97.14905	0.7
105.07039	0.9
107.08606	0.9
109.06554	0.8
109.10211	0.9
133.10127	0.8
137.05968	0.9
153.07497	0.7
189.10880	0.8
203.05333	1.0
245.06493	1.3
249.14711	1.9
271.04306	2.3
287.03781	1.0
289.05276	6.0
393.19159	0.9
411.20383	4.0
453.21402	10.5
497.20078	100.0
498.19952	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38231	0.5
57.03446	0.7
59.23279	0.4
67.05503	0.9
69.03429	0.8
69.07072	0.5
70.60322	1.5
79.05494	0.5
81.07055	0.5
83.04985	1.2
83.96930	0.5
85.02901	1.0
88.67014	0.4
88.97100	0.4
91.05465	0.7
93.07044	0.8
95.08634	0.6
97.02866	0.6
97.06541	0.7
97.21973	0.6
98.97598	0.7
101.00881	1.6
107.08588	1.1
111.08102	0.9
119.01920	1.8
121.10178	0.7
127.03926	0.5
131.00281	0.5
135.08090	1.0
137.04704	0.5
143.01910	4.3
157.03508	1.4
161.02997	3.1
173.03120	0.5
175.04559	1.0
187.08199	0.6
191.14359	0.9
203.03946	1.0
227.05264	0.9
245.06563	0.9
260.09229	0.9
267.14508	0.9
271.04364	0.7
289.05164	2.7
291.14325	4.6
305.15796	0.9
309.15460	3.7
333.15527	2.3
350.09482	0.4
351.16510	1.5
363.16574	0.7
365.18146	1.3
393.18121	0.5
411.19617	5.9
435.20352	0.6
453.20911	13.4
497.19968	100.0
498.20245	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
54.74630	0.5
55.01879	0.5
56.09751	0.4
57.03425	0.6
60.44516	0.4
61.02916	1.2
65.03944	0.8
67.05493	2.2
67.45425	0.5
69.03444	2.8
69.07073	37.7
69.72118	2.8
71.04982	0.8
79.05477	0.9
80.05019	0.6
81.03398	1.5
81.07066	3.5
85.02917	6.3
85.08440	0.4
87.00829	0.5
92.04988	0.6
93.06998	0.5
94.06578	1.7
95.04964	0.8
97.02895	2.6
97.06533	6.8
98.20895	0.9
102.51606	0.4
107.08514	0.5
109.02890	0.6
121.05231	0.8
122.06036	3.9
124.07565	1.8
125.05984	0.8
127.03931	1.1
132.08118	0.8
137.05968	1.7
138.05513	2.5
140.07063	4.3
144.08054	1.2
145.08887	1.2
145.10037	0.5
146.09689	2.4
148.03951	1.1
150.05516	48.0
152.26515	0.5
157.08911	0.9
158.09653	0.8
159.10431	0.5
160.07600	0.7
161.08357	2.2
162.09137	1.7
166.04997	8.9
168.06665	0.8
172.07590	1.3
172.11221	1.3
173.08379	1.0
174.09206	1.0
174.12804	3.8
176.03445	3.2
176.10814	0.5
178.05037	0.7
182.04546	0.8
185.08415	1.1
188.10719	1.1
190.08559	0.5
190.12268	3.9
192.02875	0.6
194.04482	1.3
194.12480	0.5
200.07109	0.8
200.09196	0.5
200.10741	3.7
202.12265	4.6
206.11819	0.8
213.10185	0.7
216.10258	2.2
218.08304	0.8
218.11768	14.8
225.10117	0.6
226.08714	0.6
228.10217	8.9
229.13358	0.6
234.11183	1.6
243.11398	1.1
244.09732	1.1
245.12839	0.8
246.11287	11.9
254.08199	0.7
255.11356	0.9
257.09158	0.9
262.10641	0.7
269.09366	0.5
271.10788	3.4
272.09180	2.1
273.12354	1.5
274.10736	1.6
287.10287	4.7
289.11819	5.4
290.10318	1.4
291.12949	0.8
299.10233	5.2
317.11353	19.5
318.09497	1.2
335.12384	100.0
336.12747	1.0
373.21622	0.6
417.24677	0.7
427.43188	0.5
453.21033	0.8
497.18839	4.6
497.26404	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96300	0.8
56.96566	12.5
57.03425	1.2
61.02910	1.9
67.05485	2.2
69.03423	1.9
69.07050	1.5
69.59991	4.1
70.06559	1.0
71.95269	0.8
79.05472	0.9
81.03406	1.2
81.07042	1.7
83.08585	0.8
84.96034	9.3
85.02887	3.0
87.53060	0.9
90.24979	0.7
91.03947	1.2
91.05472	1.4
93.07023	2.2
95.08611	5.3
95.94480	0.8
97.02898	1.4
97.06498	1.4
97.96793	1.7
98.97581	65.6
107.08553	1.6
109.10126	2.1
110.97555	13.5
112.99117	5.0
116.98621	14.8
119.08629	1.2
121.10134	1.9
124.99121	2.1
126.97073	1.9
127.03846	1.1
128.98598	9.3
131.00137	2.8
134.99684	1.5
137.05980	1.1
139.11195	0.8
140.00194	1.7
140.98578	3.2
143.00177	2.8
144.98090	2.1
146.99632	1.7
149.01225	1.3
152.98502	1.1
155.00203	1.0
158.99648	10.1
161.01221	1.2
161.05899	0.8
170.99655	3.9
173.01256	2.3
177.00728	6.1
183.63058	0.9
189.00706	2.1
200.02165	0.8
201.00679	3.8
219.01759	25.2
225.07953	0.8
237.02808	22.5
242.03366	1.1
243.08777	1.2
244.09557	3.4
248.49867	0.8
249.11597	8.4
265.11069	2.6
267.12677	14.3
278.03802	0.8
283.12033	1.3
285.13757	7.3
291.12646	14.1
295.12143	2.5
309.13721	34.8
313.13068	1.4
321.13635	1.6
323.15204	1.9
327.14792	7.1
332.15295	2.1
333.13611	2.2
335.21884	0.8
351.15005	3.9
379.16061	1.7
411.16879	100.0
416.23975	2.2
417.24606	8.2
429.12427	1.6
429.18005	25.1
435.25732	4.1
453.17947	66.2
454.18320	1.1
461.27045	1.0
467.18692	0.9
471.19040	4.7
479.28036	3.4
497.18448	26.2
497.28116	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3398
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
52.44312	0.2
55.05519	0.3
55.41146	0.2
56.05032	1.3
57.03444	0.4
57.07072	3.4
58.06583	1.1
59.07380	0.4
60.08164	15.6
67.05502	0.8
69.07060	0.6
71.07375	5.7
71.08624	2.0
71.26814	0.5
81.07049	1.0
83.08620	0.7
85.10188	0.9
86.09705	48.9
93.07037	0.3
95.08612	1.3
97.10174	0.3
98.98476	3.8
104.10744	100.0
109.10150	0.5
125.00005	26.8
132.93277	0.3
148.21558	0.2
156.71741	0.3
163.01569	0.9
166.06380	0.4
176.47609	0.2
181.02608	0.4
184.07339	93.8
258.11050	1.1
313.27338	1.9
345.34885	0.2
365.88428	0.2
401.27499	0.3
433.29416	0.3
478.32941	9.2
496.33978	41.1
497.34296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.2
56.05028	0.5
57.03444	0.2
57.07073	0.8
58.06361	0.2
58.06636	0.4
59.23200	0.1
60.08163	5.7
62.81886	0.1
67.05491	0.3
69.07055	0.2
71.07372	2.6
71.08660	0.3
81.07056	0.3
83.08624	0.2
85.10191	0.3
86.09702	27.3
91.05489	0.1
95.08598	0.4
98.20778	0.2
98.98466	2.6
104.10739	2.8
125.00001	19.3
129.64760	0.1
184.07332	100.0
185.07626	0.2
258.10971	0.3
264.99826	0.1
278.20258	0.1
313.27237	0.2
318.90500	0.1
478.33014	1.3
496.33987	3.8
496.78436	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.7
55.01872	11.3
55.05265	1.9
55.05513	26.7
57.03436	37.3
57.07066	4.8
61.02605	2.1
61.02925	56.9
65.03936	3.9
67.05504	63.2
69.03431	39.8
69.07069	28.5
71.01360	9.8
71.04993	9.9
71.08634	2.0
73.02916	34.5
75.04482	2.6
75.81904	1.1
77.03873	1.5
79.05492	70.4
81.03419	31.9
81.07055	68.5
83.04984	11.4
83.08191	1.6
83.08628	13.9
85.02905	59.9
85.06541	6.2
87.04474	5.1
91.03959	31.1
91.05479	83.6
93.07046	76.0
95.01328	1.1
95.04965	17.7
95.08609	45.6
95.56919	1.0
97.02889	51.1
97.06530	9.0
97.10168	4.9
98.21474	3.0
99.04456	9.2
99.08094	3.1
101.02400	7.5
101.06013	1.2
103.03949	9.6
103.05444	4.1
104.06328	1.3
105.04520	2.2
105.07029	82.9
107.04963	9.1
107.08591	51.5
109.02888	8.0
109.06521	8.7
109.10150	22.0
111.04435	6.2
111.08084	4.8
111.11710	1.5
113.06001	1.4
115.03979	5.1
115.04720	1.1
115.05447	6.4
116.06182	1.2
117.05536	2.4
117.06211	2.4
117.07016	41.6
119.04922	2.9
119.08579	67.5
121.06483	8.1
121.10142	36.5
121.11027	1.5
123.04424	3.2
123.08096	6.6
123.11703	3.5
125.05997	3.0
125.09634	3.6
127.03083	1.4
127.03928	14.5
127.07549	1.9
128.06200	9.1
129.05559	6.4
129.07002	32.3
130.07771	2.8
131.03387	1.3
131.04948	3.0
131.08565	61.0
133.06494	8.9
133.10130	48.6
135.08072	9.7
135.11685	28.4
137.05937	3.3
137.09608	4.6
139.07535	2.4
139.11137	1.7
141.06999	10.2
142.07771	6.4
143.08562	32.2
144.09346	2.1
145.04959	4.9
145.06479	8.3
145.10118	48.2
147.08040	10.9
147.11688	30.9
149.05969	1.6
149.09602	8.4
149.13274	14.8
151.07526	2.3
151.11148	2.5
153.07002	3.0
153.09108	1.7
154.07745	2.2
155.08553	15.1
156.09369	3.0
157.05226	1.1
157.06468	5.4
157.10124	28.6
158.07185	1.4
159.08051	10.7
159.11682	37.4
161.06021	1.4
161.09639	8.1
161.13261	22.0
163.07550	1.8
163.11200	5.0
163.14819	5.0
165.07051	3.2
165.09099	1.6
166.07820	1.6
167.07298	1.5
167.08553	7.1
168.09386	1.4
169.06506	1.8
169.10110	17.5
170.10928	1.3
171.06738	1.9
171.08034	7.4
171.11691	26.3
173.05986	1.6
173.09608	8.3
173.13258	23.3
175.07588	1.6
175.11275	7.1
175.14825	9.7
177.09076	2.5
177.12788	3.9
179.08539	3.3
179.10715	1.9
179.14259	1.7
180.09361	2.6
181.06532	2.6
181.08620	1.6
181.10106	9.8
182.10974	1.6
183.06555	2.6
183.08098	4.5
183.10173	1.8
183.11668	15.3
183.93182	1.3
185.08171	1.8
185.09668	6.1
185.13243	20.4
187.11220	8.6
187.14839	10.1
189.09064	1.8
189.12791	7.4
189.16406	1.5
191.08525	2.0
191.10605	2.1
191.14362	2.7
192.63638	1.3
193.10132	3.5
193.12271	1.4
195.08090	2.4
195.11732	10.7
195.13531	2.2
197.09579	5.4
197.13272	10.9
199.09604	2.2
199.11232	6.8
199.13106	1.5
199.14806	10.9
201.09157	1.2
201.12741	6.1
201.16406	3.7
203.08589	1.2
203.10590	2.6
203.14322	4.2
205.10243	2.3
205.15738	1.8
207.11729	2.6
207.13731	1.2
209.09729	2.8
209.13287	6.9
211.11188	4.5
211.14764	6.3
213.09320	1.2
213.12762	5.0
213.16359	4.5
215.10757	1.5
215.14325	4.4
215.18071	1.5
217.12373	1.3
217.15886	1.6
217.19598	1.9
219.11765	2.7
219.13846	1.8
221.13255	3.9
221.15318	2.3
223.11246	2.4
223.14857	4.5
225.12720	3.8
225.16426	2.4
227.14384	3.6
227.17958	2.1
229.12297	1.5
229.15956	2.0
229.19585	2.5
231.17445	2.1
231.21097	3.0
233.15463	1.9
237.12756	2.7
239.14316	2.9
239.17963	3.1
241.15923	2.1
241.19501	14.8
243.13866	1.8
243.21072	2.2
245.15428	2.5
249.14862	2.1
251.14305	2.7
251.18120	1.6
253.19496	3.5
255.13852	1.6
255.21190	3.8
257.15857	1.2
257.18890	5.9
259.20566	24.0
261.22250	1.5
265.19473	1.5
267.15646	1.4
269.18976	2.2
271.20532	8.5
273.18463	1.8
273.22144	5.2
275.20068	6.4
277.18994	1.4
277.21738	7.2
281.19028	1.2
283.20502	6.8
285.22144	3.5
287.20105	4.3
289.21692	6.8
295.20587	4.5
297.22293	3.0
299.20065	4.8
301.21613	15.4
303.23346	1.9
307.20587	3.3
311.20340	2.2
311.23679	2.2
313.21677	9.3
315.23251	6.9
317.21124	3.4
319.22607	2.4
321.22244	3.8
325.21613	10.8
329.21240	2.1
329.24869	1.3
331.23099	8.1
333.24240	53.5
337.21719	4.0
339.23196	8.3
343.22668	8.3
345.24222	6.8
349.21082	12.2
351.25333	3.2
355.22720	4.5
357.24380	4.0
361.23563	10.9
363.25244	7.8
367.22702	22.5
369.19156	1.3
369.24149	1.9
373.23615	3.1
375.25351	17.8
377.27008	1.7
385.23618	16.6
387.25223	9.5
399.25330	5.3
403.24841	11.0
405.26343	4.5
411.25555	2.1
413.26447	1.3
415.24530	2.0
417.26410	12.6
421.25735	2.0
423.25275	4.7
429.26413	9.6
433.26712	2.4
441.26337	44.0
459.27399	34.1
477.21399	1.9
477.28430	44.5
495.29504	100.0
496.29922	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36039	1.2
53.02975	1.5
53.03193	2.6
53.03933	4.3
53.22122	1.4
55.05513	24.0
56.28164	1.4
57.03435	20.9
57.07073	3.8
61.02929	26.2
62.76144	1.2
62.95009	1.3
65.03939	1.6
67.05174	2.5
67.05509	37.0
68.99812	1.3
69.03429	19.7
69.07069	17.1
71.01048	2.6
71.01364	4.8
71.04992	6.0
73.02920	19.4
75.04471	1.9
77.03960	1.6
79.05497	45.8
79.05965	2.2
81.03416	19.3
81.07058	43.6
83.04958	7.8
83.08622	9.2
85.02912	26.1
85.06524	3.3
87.04438	1.8
91.03970	11.4
91.05483	50.0
93.07040	45.7
95.04975	10.8
95.08605	29.7
97.02895	20.1
97.06528	7.0
97.10184	3.7
98.15536	1.3
99.04463	4.1
99.08118	2.1
101.02393	2.0
101.77970	1.3
103.03960	6.3
103.05463	2.8
105.04572	1.7
105.07035	49.3
107.04946	10.8
107.08603	28.9
109.02884	3.4
109.06517	7.1
109.10141	12.2
111.04459	5.0
111.08076	3.6
115.03947	3.1
115.05466	5.3
116.06242	1.6
117.07017	29.0
119.04961	1.7
119.08591	40.2
121.06514	8.1
121.10151	17.5
123.04495	2.1
123.08077	4.9
123.11713	3.9
127.03921	6.0
128.06212	7.2
129.05502	4.2
129.07010	26.2
129.07924	2.2
130.07784	1.7
131.04939	2.3
131.08568	44.7
133.06506	9.0
133.10132	29.8
135.08052	7.4
135.11694	13.7
137.06012	2.1
137.09657	4.1
141.07005	10.8
142.07791	6.5
143.08557	27.6
145.04984	2.3
145.06508	9.7
145.10120	37.3
147.08049	8.1
147.11678	18.3
148.96503	1.4
149.09627	5.8
149.13272	5.9
151.07529	2.1
153.06970	3.1
154.07773	3.1
155.08559	19.2
156.09378	3.0
157.06511	4.6
157.10114	23.1
159.08049	11.0
159.11699	25.8
161.09659	4.9
161.13252	10.1
161.92079	1.6
163.11182	3.1
165.07054	2.9
165.09131	1.4
167.08556	6.7
168.09360	3.5
169.06526	2.5
169.10124	15.1
170.10913	1.6
171.08104	6.6
171.11697	20.3
173.09570	11.1
173.13271	14.4
175.11166	6.7
175.14871	5.8
177.09190	2.7
177.12752	3.1
179.08633	5.2
181.06480	1.7
181.10097	8.6
181.19109	1.4
182.10994	1.5
183.08104	3.7
183.11694	14.2
185.08163	1.9
185.09599	6.9
185.13277	16.1
187.09735	1.6
187.11162	6.9
187.14795	6.5
189.09074	1.9
189.12796	4.6
191.08688	1.4
191.14359	2.5
195.08087	3.0
195.11745	8.0
197.09639	5.4
197.13261	8.7
199.07605	2.0
199.11237	5.8
199.14835	7.6
201.12761	6.4
201.16479	2.1
203.14383	2.8
205.10188	1.6
207.11717	3.6
209.09674	3.3
209.13318	4.6
211.11258	2.8
211.14864	5.7
213.12836	4.8
213.16309	2.9
215.14331	3.1
219.13832	2.1
221.13330	3.1
223.11246	4.1
223.14905	4.0
225.12778	3.7
225.16539	2.0
227.14391	2.7
229.15889	1.8
231.21194	1.9
237.12769	2.0
239.14192	2.0
239.18074	1.7
241.15967	1.7
241.19591	5.5
247.14816	1.5
249.16440	1.4
253.19443	2.8
255.17465	2.3
255.21350	1.5
257.19028	4.2
257.94556	1.4
259.20496	11.9
269.15277	1.5
269.19016	5.0
271.20590	6.9
273.22144	3.4
275.20093	3.1
277.21664	4.1
281.19177	1.9
283.20474	6.7
285.22147	4.3
287.20151	2.9
288.64655	1.5
289.21753	2.3
295.20642	3.8
297.22125	2.2
299.20016	4.0
301.21719	11.1
307.20563	3.5
311.24042	1.5
313.21591	8.9
315.19672	2.0
315.23080	3.3
317.21133	2.1
321.22134	4.4
325.21579	9.4
327.23187	2.7
331.22861	3.7
333.24298	17.9
337.21597	2.9
339.23221	8.0
343.22598	6.4
345.24234	4.1
347.25977	1.6
349.21802	9.0
355.22800	2.6
357.24313	4.6
361.23785	9.9
363.25156	7.3
367.22699	22.7
375.25385	13.9
377.26913	3.3
385.23773	10.6
387.25357	8.6
389.26895	2.6
399.25421	4.8
403.24695	12.9
405.26511	5.1
413.26862	1.9
417.26334	14.8
423.25424	3.6
429.26364	15.2
441.26373	39.6
447.27240	1.5
459.27390	35.1
477.28479	42.7
495.29550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03197	2.7
53.03933	10.2
55.01869	11.5
55.05519	34.9
57.03438	43.5
57.07075	3.6
61.02929	59.8
65.03943	5.3
67.05509	65.3
69.03078	4.0
69.03430	46.4
69.07079	23.5
71.01363	11.9
71.05009	11.5
73.02918	38.2
78.91074	2.1
79.05496	78.5
81.02983	3.4
81.03420	27.7
81.07061	64.0
83.04990	10.7
83.08622	13.4
85.02431	4.4
85.02910	62.8
85.06536	5.9
87.04461	4.9
91.03964	36.7
91.05486	86.3
93.07047	88.2
95.04951	16.6
95.08614	50.4
97.02894	57.1
97.06522	11.7
97.10159	7.3
99.04469	9.1
99.08112	4.3
101.02402	7.9
103.03949	10.3
103.05456	4.8
105.03418	2.3
105.07030	79.8
107.04954	7.8
107.08594	50.2
109.02879	8.3
109.06515	8.5
109.10172	20.1
111.04459	7.6
111.08088	4.8
113.98572	2.2
115.03919	7.4
115.05490	6.1
116.06277	3.0
117.05498	2.0
117.07030	40.8
119.04965	5.5
119.08586	68.8
119.09464	3.6
121.06506	8.9
121.10144	37.6
123.04411	4.7
123.08080	6.6
123.11729	5.0
125.05976	3.1
125.09657	3.6
127.03903	14.8
128.06239	7.6
129.05476	10.1
129.07005	30.4
130.07790	4.4
131.04918	2.5
131.08572	63.8
132.09451	2.2
133.06479	10.1
133.10136	53.1
135.08040	8.6
135.11705	31.0
137.05960	4.3
137.09650	6.3
141.06999	14.3
142.07814	7.3
143.08575	35.2
144.09364	3.5
145.04942	5.6
145.06499	8.8
145.10133	52.6
147.08014	10.9
147.11705	34.5
149.09637	10.0
149.13272	12.8
151.07513	2.6
151.11194	3.1
153.06972	2.7
153.09114	3.3
154.07739	3.8
155.07442	2.4
155.08543	17.7
156.09348	3.4
157.06494	5.5
157.10127	29.2
159.08032	13.5
159.11693	41.0
161.09653	8.6
161.13284	20.4
163.07542	2.8
163.11212	4.6
163.14816	5.4
165.06993	4.8
165.09105	4.3
167.08601	9.1
169.10130	16.0
171.08052	7.6
171.11678	23.9
173.09613	9.1
173.13295	26.0
175.11195	8.8
175.14865	10.3
177.09120	3.6
177.12773	7.3
179.08530	5.7
179.10721	2.9
180.09254	3.0
181.06544	2.3
181.10178	10.0
182.10951	3.0
183.06432	2.4
183.08035	5.3
183.11725	15.1
184.12558	2.4
185.09700	7.0
185.13249	20.3
187.11230	10.1
187.14830	11.8
189.09175	2.7
189.12772	5.6
189.16522	3.5
191.14311	3.3
193.10091	2.4
195.11729	9.3
197.09648	6.1
197.11647	2.5
197.13309	9.3
199.11292	4.5
199.14781	13.3
201.12706	4.2
203.14262	2.7
207.11716	4.3
209.09543	4.2
209.13306	7.1
211.11232	6.1
211.14835	8.3
213.12767	6.4
213.16437	2.9
215.14302	4.3
215.17918	4.1
217.12048	3.7
217.19600	4.0
221.13408	3.2
223.14929	5.1
225.12767	2.9
225.16376	3.8
227.14436	5.1
227.18030	3.2
231.21094	2.8
233.15558	2.6
239.14346	2.8
239.18015	3.9
241.19533	15.9
253.19635	5.3
257.19080	7.3
259.17859	3.7
259.20544	29.0
269.18921	2.8
271.20480	12.4
273.22195	4.5
275.20059	5.8
277.21658	8.0
283.20575	6.3
287.20010	5.7
289.21738	6.7
295.20477	5.5
297.22318	3.3
299.20151	5.5
301.21576	13.1
307.20444	3.1
311.24075	2.6
313.21658	9.5
315.23190	8.2
317.21204	4.1
319.22778	2.9
321.22272	2.4
325.21616	11.1
327.23059	3.7
329.21268	2.8
331.22876	6.5
333.24252	54.6
337.21912	3.0
339.23145	7.4
343.22690	6.6
345.24347	7.6
349.21368	8.1
349.24225	3.5
355.17844	2.6
357.24292	6.3
361.23712	8.4
363.25336	8.4
367.22638	27.0
373.23898	3.2
375.25275	16.3
385.23917	19.3
387.25256	7.8
399.25571	4.6
403.24707	10.6
405.26501	4.1
417.26303	9.4
421.25876	3.1
423.25415	5.8
429.26303	14.4
441.26361	56.0
453.76575	2.7
459.27417	41.2
477.28455	48.2
495.29556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03197	1.9
53.03936	5.0
55.02084	1.6
55.05515	18.5
57.02359	1.5
57.03193	1.6
57.03444	23.8
57.07076	2.8
61.02640	2.5
61.02927	33.1
65.03938	3.8
67.05174	2.6
67.05505	41.4
69.03426	20.7
69.07075	15.2
69.07427	2.7
69.75684	8.5
71.01350	7.1
71.04985	6.2
73.02923	22.2
75.04467	2.5
79.05066	2.5
79.05499	44.8
81.03416	22.0
81.07054	39.4
83.04976	7.0
83.08617	9.3
85.02909	35.8
85.06541	2.7
87.04469	4.3
91.03962	17.0
91.05482	61.1
93.07045	45.7
95.04974	10.1
95.07987	1.7
95.08609	32.5
97.02898	27.1
97.06533	6.5
97.10171	4.2
98.21484	2.6
99.04461	6.0
101.02380	5.6
103.03938	3.1
103.05463	2.6
104.21214	1.4
104.82108	1.5
105.04534	1.5
105.06313	2.8
105.07029	52.6
107.04974	11.6
107.08594	29.7
109.02892	4.2
109.06527	5.4
109.10149	13.9
111.04459	4.3
111.08057	2.6
113.02299	1.6
115.03965	3.7
115.05465	5.7
117.05548	2.0
117.07024	29.1
119.04947	1.5
119.08584	45.1
121.06464	7.9
121.10139	23.2
123.08066	5.5
125.09654	1.8
127.03928	10.2
128.06226	6.3
129.05473	5.7
129.06990	22.8
130.07869	2.3
131.04973	1.6
131.08563	45.5
133.06506	6.9
133.10130	30.4
135.08037	8.9
135.11708	12.0
137.05974	4.3
141.07018	7.1
142.07764	6.6
143.08565	27.8
144.05629	1.7
145.04947	2.0
145.06499	9.8
145.10117	39.8
147.07976	7.2
147.11700	20.4
149.09641	4.0
149.13252	9.3
151.07565	1.6
151.11168	2.1
153.06966	2.3
155.08562	17.7
156.09326	2.7
157.06529	4.6
157.10136	22.1
158.11000	1.5
159.08047	11.7
159.11699	24.7
161.09589	6.2
161.13251	13.2
163.07597	2.5
163.11168	4.7
163.14774	3.9
166.07832	2.2
167.08580	6.4
168.09335	3.2
169.06383	2.7
169.10092	14.6
171.08064	8.5
171.11681	21.8
173.09642	8.5
173.13249	20.3
175.11176	5.5
175.14876	4.2
179.08574	2.1
180.09331	1.9
181.10161	6.4
183.08089	5.3
183.11700	15.4
185.09612	7.8
185.13258	11.9
187.07561	1.6
187.11174	6.5
187.14825	5.8
187.47984	1.8
189.12790	3.1
193.10181	2.5
195.07967	1.5
195.11703	5.7
197.09540	7.2
197.13281	8.5
199.11168	5.3
199.14818	5.7
201.12820	6.4
203.14426	2.2
205.12047	1.6
206.54663	1.6
207.11697	3.3
209.09645	4.1
209.13240	6.1
211.11311	4.1
211.14857	5.9
213.09184	1.9
213.12723	5.7
213.16566	2.1
215.14323	4.7
219.11768	2.2
221.13284	2.1
223.14879	3.3
225.12799	3.7
225.16367	3.4
227.14392	3.1
227.17999	2.2
229.15891	1.7
231.21248	1.8
237.12686	2.4
239.14366	2.9
239.17885	2.3
241.19547	6.3
243.21201	2.0
255.21054	1.6
257.19031	6.5
259.20560	15.0
269.19122	2.3
271.20593	6.7
273.22244	2.0
275.20139	3.3
277.21692	2.9
283.20517	7.0
285.18652	1.6
285.21945	3.3
287.20126	2.5
289.21707	3.6
295.20532	3.5
297.22037	3.0
299.20163	2.1
301.21536	7.5
307.20493	3.3
311.20221	2.0
313.21741	9.1
315.23221	5.7
321.21921	2.2
325.21600	9.1
331.19290	1.9
331.22916	3.5
331.60373	1.8
333.24255	27.2
337.21567	4.3
339.23190	6.7
343.22815	6.4
345.24066	2.2
349.17496	2.9
349.21655	9.2
355.22711	1.9
357.24228	2.6
361.23999	8.7
363.25406	7.9
367.22733	20.9
373.23654	2.5
375.25400	13.4
377.26932	2.5
385.23770	10.9
387.25519	7.3
399.25378	3.8
403.24734	8.5
405.26471	4.1
417.26392	16.2
421.25461	2.2
423.25327	3.1
429.26526	14.5
431.27869	3.4
441.26385	42.2
459.27448	32.6
477.28424	36.5
495.29529	100.0
496.30368	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60267	1.6
53.03940	7.6
55.01870	13.3
55.05513	28.8
57.03440	40.9
57.07071	5.8
61.02929	73.2
65.03937	4.1
67.05506	66.8
69.03075	3.1
69.03432	48.6
69.07068	26.6
69.27752	9.8
69.28174	6.0
71.01344	9.5
71.04993	9.2
71.08653	1.9
73.02921	44.3
75.04474	2.7
79.05494	78.7
81.03423	31.7
81.07059	71.9
83.04981	12.7
83.08610	10.5
85.02907	71.8
85.06543	4.8
87.04488	2.8
88.53267	1.6
91.03957	41.4
91.05482	89.4
93.07045	88.2
95.04978	15.1
95.08609	49.3
97.02895	66.8
97.03520	3.4
97.06530	6.9
97.10172	6.2
99.04456	14.8
101.02388	14.7
103.03942	13.1
103.05448	4.6
105.04539	1.9
105.07034	94.3
107.04945	13.1
107.08599	53.3
107.09301	3.6
109.02892	7.7
109.06572	8.7
109.10150	21.3
111.04456	5.5
111.08109	5.7
114.54013	1.9
115.03932	7.9
115.05472	7.3
117.05537	3.7
117.07020	44.9
119.04971	3.3
119.08585	71.0
119.11211	1.6
121.06469	8.6
121.10146	39.9
123.04469	2.8
123.08092	6.8
123.11720	4.2
125.05993	1.9
125.09612	2.4
127.03909	18.0
128.06238	8.1
129.05530	9.7
129.07005	26.8
130.07777	3.7
131.03436	1.7
131.04935	2.8
131.08571	63.2
133.06529	5.7
133.10132	52.4
135.08049	8.1
135.11707	33.8
137.05986	2.0
137.09596	4.3
139.07599	2.5
141.06996	11.1
142.07770	6.8
143.08556	35.9
144.09389	2.0
145.04942	8.8
145.06471	8.9
145.10130	54.1
147.08040	9.5
147.11688	32.9
149.05983	1.9
149.09621	7.3
149.13277	15.2
153.06978	3.2
154.07747	3.4
155.08548	17.5
156.09410	2.8
157.06548	4.5
157.10130	25.5
159.06851	2.5
159.08041	10.8
159.11690	38.2
161.09598	9.1
161.13278	21.3
163.11234	6.7
163.14830	5.0
165.07123	1.9
166.07803	3.5
167.08624	7.0
168.09422	2.3
169.06430	2.5
169.10139	17.6
171.08080	6.0
171.11676	28.2
173.09634	9.0
173.13268	23.4
175.11208	6.1
175.14821	11.9
177.12737	3.6
179.08615	2.9
179.14258	1.8
181.10123	9.9
182.10931	2.0
183.06601	3.0
183.08142	5.2
183.11679	16.5
185.09637	7.8
185.13243	17.8
187.07535	2.2
187.11214	6.7
187.14830	11.3
189.09032	2.9
189.12799	5.8
189.16437	1.9
195.11696	8.1
197.09714	4.6
197.13286	11.9
199.11198	5.1
199.14838	6.7
201.07468	1.7
201.12793	6.9
201.16464	1.9
203.14378	4.8
207.11797	4.0
209.09642	3.1
209.13351	5.4
211.11185	4.8
211.14854	6.1
213.12709	3.4
213.16397	4.1
215.10664	2.3
215.14294	3.3
215.17958	2.9
217.15869	1.8
223.11168	2.9
223.14792	3.0
225.12868	3.3
227.14415	2.8
227.18056	2.9
231.21062	2.7
237.12811	3.7
239.14407	3.0
239.18018	2.4
241.15878	2.3
241.19545	15.9
253.19533	2.8
257.19122	7.5
259.20566	38.0
269.18976	2.6
271.20624	7.5
273.22272	4.7
275.20203	5.4
277.21643	6.4
283.20651	5.8
285.22137	4.2
287.20181	5.1
289.21695	2.9
295.20612	3.4
297.22305	4.5
299.20142	3.5
301.21606	17.5
307.20554	3.7
311.20200	2.6
313.21680	7.7
315.23041	10.4
317.21149	2.3
321.22113	4.6
325.21545	9.6
331.22653	6.0
333.24274	64.9
337.21585	3.8
339.23239	7.6
343.22778	7.7
345.24252	4.3
349.21799	11.5
351.25412	3.3
357.24417	6.3
361.23843	6.3
363.25479	7.9
367.22647	19.1
373.23767	2.9
375.25330	14.2
385.23734	13.5
387.25201	8.7
399.25464	2.7
403.24899	10.8
405.26407	4.0
413.26538	2.1
417.26358	14.0
423.25275	5.4
429.26343	9.6
441.26389	52.9
451.11508	2.1
459.27490	36.4
477.28497	43.4
477.35538	2.4
495.29541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
56.50355	0.5
56.96566	34.2
61.02915	0.6
67.05491	1.8
69.03431	1.2
69.07065	1.1
69.46608	3.3
71.95267	4.7
72.96049	3.2
73.29685	0.5
79.05471	1.5
81.03409	0.6
81.07047	1.8
84.96021	2.3
85.02910	0.9
91.05479	1.3
92.96407	0.5
93.07047	0.5
95.08614	0.9
96.23018	0.5
97.02879	0.6
97.06539	5.0
97.96823	1.0
98.20756	1.0
102.20599	0.5
105.07012	0.6
107.08622	0.8
110.97572	1.2
115.00671	0.8
115.43627	0.5
118.30151	0.5
119.01682	0.9
119.08587	1.0
121.10101	0.9
127.00681	0.5
128.98601	1.0
132.38550	0.5
133.10086	0.5
137.02721	2.2
137.05959	1.7
138.06276	0.5
139.00673	1.0
141.02211	2.4
147.06723	0.6
149.09631	0.8
149.13248	0.8
153.02219	1.6
155.03760	1.0
155.98257	0.5
157.01700	1.1
159.03310	2.0
167.03836	1.1
169.01646	0.7
171.03278	2.6
173.04732	0.6
175.02803	0.7
176.10735	1.1
177.11026	0.8
177.12527	0.6
181.01796	0.6
181.05353	0.6
185.01208	0.7
185.04831	1.6
189.04323	1.4
193.09056	0.6
195.06944	0.7
195.13824	0.9
199.02744	2.3
199.06436	1.7
203.05949	1.3
204.10248	1.1
205.10678	0.9
206.11462	0.7
211.06419	2.3
217.03865	1.4
217.07491	1.4
223.10039	10.0
229.07562	0.9
233.11824	1.2
234.12085	0.8
237.08018	1.1
241.11115	100.0
242.11435	0.7
249.08009	1.7
250.14395	1.2
259.12180	72.0
261.12766	0.8
264.12711	6.4
267.09036	16.4
273.13513	0.9
274.13977	1.1
282.13748	4.0
285.10095	68.1
302.17493	4.1
303.11151	33.9
303.17804	11.1
308.11765	4.9
321.18915	1.8
326.12738	2.9
346.20169	0.9
347.20456	3.8
365.21051	0.7
433.24142	1.1
451.23969	0.6
477.21725	2.0
477.27487	1.0
477.71182	0.6
495.22519	80.5
495.27899	5.3
496.22992	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40793	0.9
56.05038	68.3
58.06603	5.7
61.01133	1.1
70.02965	2.3
70.79522	3.0
73.04031	1.0
74.06083	75.4
76.87306	0.9
80.05016	1.4
82.02928	3.0
82.06563	5.2
84.04503	11.3
85.02905	1.6
86.06072	1.2
86.09707	17.3
88.03984	3.5
94.06415	1.0
97.04003	3.9
99.05582	4.7
100.03942	2.1
100.07638	1.1
101.07140	6.1
102.03739	2.0
102.05533	2.1
108.04466	3.7
109.07652	2.2
110.06043	13.4
111.05565	7.5
112.11237	1.4
119.89011	0.9
124.32682	0.9
125.03472	2.7
125.07140	1.9
126.05495	4.0
127.08681	15.2
130.03214	2.6
130.05011	2.6
130.08598	1.5
132.10201	9.6
136.03963	4.5
137.07085	3.6
138.05505	2.0
139.05017	6.5
141.13872	2.6
143.04509	3.4
144.06548	3.9
153.06581	23.9
154.04971	2.3
158.11794	1.7
163.05046	1.1
164.04610	0.9
164.08209	1.0
165.06616	2.1
169.13403	3.0
171.07706	5.1
180.02905	1.2
181.06075	21.3
181.07660	1.1
183.04022	1.2
183.07674	2.7
187.14450	3.4
189.08707	3.2
191.08487	5.3
197.12828	3.9
199.05286	2.0
199.07133	37.0
208.07275	1.6
210.08623	1.4
211.07074	1.7
215.13902	24.3
217.06422	15.7
217.08241	4.1
220.07175	1.2
226.08290	2.2
227.06644	4.0
230.67657	1.1
233.14929	12.8
235.07451	4.5
238.08214	5.5
238.11865	1.4
239.10283	1.1
243.13382	5.3
244.09578	1.1
245.05907	6.6
246.04308	1.9
254.07677	1.1
254.11436	1.8
255.06166	1.8
263.06979	100.0
264.09763	1.2
272.08661	2.0
272.12238	2.3
282.10843	4.3
284.16052	1.0
300.11920	9.5
302.08051	3.6
330.16672	2.9
333.11783	1.3
336.12125	1.5
340.14941	5.8
346.10709	9.5
348.17642	2.4
358.16089	4.4
359.11197	1.0
364.11719	40.4
368.14658	2.1
375.94968	1.1
382.12915	1.2
386.15466	2.2
394.16180	1.2
395.19125	1.3
413.20215	4.7
431.20718	6.8
459.18777	6.1
477.20175	18.1
478.18243	1.3
495.21417	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.184
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
51.88316	0.3
57.03429	0.5
67.05495	1.1
69.03429	0.5
69.07056	0.5
69.80068	1.6
73.02950	0.4
79.05495	0.4
81.03407	0.5
81.07058	1.0
84.55877	0.4
85.02886	0.4
85.06555	0.4
86.09701	0.4
91.05473	0.4
93.07043	0.5
95.08610	0.7
96.08916	0.4
97.02889	0.5
97.06524	0.9
98.97581	0.5
105.07064	0.6
106.16727	0.3
107.08575	0.9
108.08903	0.4
109.10155	1.4
110.10487	0.5
121.10140	0.6
133.10130	0.3
135.11697	1.2
136.11993	0.7
147.04309	0.3
149.13280	0.5
153.12784	0.8
154.13045	0.5
162.07903	0.5
176.15182	0.4
203.10506	0.5
211.16934	3.3
212.17255	5.0
214.59360	0.4
229.12024	0.8
247.13011	5.0
261.07346	0.9
275.11002	1.8
275.12704	1.6
296.89743	0.3
302.17645	0.4
303.17783	0.9
327.10403	0.4
333.13199	0.9
391.17255	1.4
409.18405	7.8
423.12665	0.9
451.19403	23.7
453.17996	0.3
495.18378	100.0
496.18640	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24151	0.3
53.03926	0.6
54.40875	0.3
55.01865	1.1
55.05513	4.6
56.96551	0.6
57.03426	1.3
57.07057	0.7
58.06586	1.1
58.30104	0.4
61.02917	0.5
62.06096	2.1
67.05183	0.5
67.05506	7.5
69.03426	0.5
69.06721	0.6
69.07069	6.5
70.06558	0.5
70.14742	1.5
71.04974	0.5
71.08623	0.4
79.05492	8.7
81.03419	0.6
81.07059	8.7
82.06604	1.8
82.31612	0.3
83.04974	0.4
83.08615	2.1
85.02903	0.6
85.05294	1.3
87.17176	0.3
91.05484	2.8
93.07052	4.2
95.04990	0.7
95.08617	4.0
96.08135	1.1
97.02878	0.4
97.06522	2.0
97.10157	1.0
98.06056	6.1
98.10483	0.3
98.20927	0.4
98.98465	9.1
105.07021	1.8
107.08597	4.6
109.10151	2.5
110.09693	0.8
112.07613	0.5
116.99593	0.5
117.06996	1.0
119.08583	1.3
120.08108	0.4
121.10133	1.8
121.31718	0.4
123.11712	0.6
124.10367	0.7
124.11229	8.1
131.08580	1.2
133.10123	1.3
134.09668	0.9
135.11728	0.5
137.05952	0.9
138.12781	2.7
139.48293	0.4
140.10727	0.7
145.10136	1.0
147.11655	0.5
149.13237	0.5
152.10657	0.6
154.12259	0.9
159.08101	0.5
162.12747	0.5
168.13889	1.0
170.11760	1.5
173.02054	0.7
173.13188	0.4
177.09145	1.0
182.15414	1.1
183.73624	0.3
196.13341	5.6
198.14911	2.7
210.14935	1.5
212.16435	0.6
222.18602	0.6
232.05544	0.4
238.18030	0.4
279.23389	0.4
288.19626	0.4
302.17532	0.6
304.26346	16.0
313.40857	0.3
320.18738	0.6
322.27408	100.0
323.27740	1.0
340.28531	1.5
344.18689	1.1
348.85004	0.4
362.19534	0.6
402.23923	1.7
438.74652	0.3
476.27472	2.1
494.28610	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	494.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.6
55.05279	2.8
55.05511	12.7
57.03436	10.0
60.04519	18.1
61.02904	5.2
67.05500	24.7
69.03424	11.4
69.07070	22.1
71.04985	7.9
71.56707	2.3
72.08156	5.8
73.02914	6.0
74.06065	2.3
79.05492	17.8
81.03416	10.3
81.07063	27.4
83.04958	2.8
83.08617	8.0
85.02906	21.8
85.06530	2.6
87.00824	3.9
91.05477	15.2
93.07050	23.6
95.04974	20.3
95.08610	26.9
97.02889	9.0
97.06525	18.0
97.10158	9.1
98.09743	1.9
98.97579	4.5
99.04456	15.9
99.08072	2.9
105.01875	6.7
105.07034	12.9
105.22025	2.2
107.04980	5.1
107.08607	19.1
109.02902	5.1
109.06531	6.1
109.10161	24.2
111.08027	3.5
113.09619	3.4
115.07587	4.2
117.07027	5.8
119.08593	19.4
121.06525	6.1
121.10148	10.8
123.08060	3.8
123.11716	10.8
125.09628	7.8
127.03899	11.1
131.08598	5.7
133.10138	29.5
135.11691	23.7
137.05988	5.5
137.09615	5.8
145.04962	5.7
145.10165	2.5
147.11703	3.9
149.13242	8.7
153.12766	2.2
159.11729	4.7
169.10117	3.0
175.14845	33.7
176.07039	2.2
177.07828	4.0
177.16373	2.7
187.11272	3.1
189.09235	2.8
189.11223	2.6
193.15877	48.5
206.11832	5.4
211.16931	96.5
223.13264	25.5
229.11064	3.1
229.14302	7.1
254.24773	6.9
258.14893	6.3
263.02826	2.2
266.14050	2.4
273.13638	3.7
273.65591	4.1
278.24817	2.6
297.16971	100.0
302.17474	35.3
314.26898	5.6
320.18613	11.1
332.28006	23.0
346.20209	10.2
364.21255	4.5
403.73779	2.6
416.24301	2.8
476.26431	8.1
494.27380	29.5
494.34067	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	494.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01870	4.2
55.05518	14.0
55.35083	2.1
57.03433	9.0
57.07072	4.6
59.05007	3.7
61.02922	5.9
62.06084	2.9
67.05508	30.8
69.03427	13.9
69.07077	32.4
69.90021	5.3
69.90415	5.6
70.06587	5.2
71.04994	13.1
73.02912	3.8
74.67042	2.3
79.05500	14.0
81.03407	14.7
81.07062	32.7
83.08618	22.2
84.08129	2.5
84.38259	2.8
85.02911	29.0
85.06544	12.3
86.06087	2.2
86.09702	5.8
87.00831	7.5
91.05479	13.7
92.05799	2.2
93.07040	27.0
95.04977	23.4
95.08614	47.6
97.02899	12.3
97.06531	25.3
97.10195	3.3
98.97583	3.3
99.04451	13.8
102.05546	2.9
105.01862	13.0
105.07025	15.7
107.04976	4.4
107.08607	29.5
109.02874	6.9
109.06506	5.6
109.10165	78.1
111.08096	4.6
111.11728	5.0
113.09695	3.1
115.03935	3.5
115.07606	7.5
117.07046	4.1
119.08596	22.4
120.08086	2.2
121.06480	6.0
121.10145	18.4
123.08089	5.4
123.11730	10.9
125.09635	9.2
125.29706	2.1
127.03931	15.7
127.11181	9.6
128.06194	2.7
129.06998	2.4
131.08582	7.0
133.10127	26.8
135.11705	36.0
137.05962	9.1
137.09587	11.9
141.12624	2.4
145.04976	8.8
145.06435	2.9
145.10126	7.6
147.11682	7.0
149.09595	3.2
149.13283	7.1
151.14812	3.9
153.12732	5.8
155.10707	2.9
155.14211	2.7
157.10146	4.5
159.02951	3.0
159.11702	7.0
161.09697	2.8
165.12740	3.3
165.16467	2.7
173.11766	6.1
175.07513	3.0
175.14842	54.9
177.07840	3.4
177.16360	7.2
189.09106	4.7
193.15884	100.0
206.11797	4.5
211.16949	65.6
215.10825	4.2
223.13335	6.7
229.10867	5.6
229.14394	7.5
229.17903	2.7
231.05013	5.6
249.06064	2.7
258.14792	12.9
260.12936	3.3
273.13574	10.6
297.17023	40.4
301.21561	11.3
302.17499	66.2
312.07672	2.3
319.22635	7.9
320.18555	23.3
346.20013	15.6
346.38562	2.3
364.21259	13.0
416.24652	4.0
423.20178	2.9
432.23862	3.5
440.24725	6.4
458.25229	6.7
476.26385	12.8
494.27774	42.9
503.89066	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	494.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
55.05513	2.3
57.03436	1.0
59.04998	0.7
61.02933	1.1
65.57140	0.5
67.05515	3.7
69.03416	1.5
69.07066	3.7
70.06573	1.2
70.15604	1.0
70.16000	1.1
71.04989	3.7
73.02914	0.9
75.25239	0.6
77.85339	0.5
79.05498	2.7
80.05042	0.5
81.03409	1.7
81.07066	4.9
83.04997	1.2
83.08632	1.4
84.08131	0.9
85.02914	5.7
85.06544	7.0
85.53631	0.5
87.00813	1.4
89.93314	0.5
91.05476	1.9
93.07047	6.9
95.04994	1.1
95.08617	6.6
97.02908	1.6
97.06541	4.1
98.21454	0.7
98.97575	0.9
99.04415	1.0
99.08109	5.0
105.07037	2.6
107.08596	10.0
109.02894	0.9
109.06506	1.5
109.10156	15.5
111.08089	1.0
113.06029	1.2
119.08582	4.4
121.10136	2.8
123.00807	0.6
123.11720	3.7
124.03961	1.8
127.03886	2.3
127.11163	1.7
131.08548	0.8
133.10130	4.9
135.11694	22.8
137.05963	2.2
137.09599	1.6
139.11189	0.7
143.94527	0.6
145.05002	0.6
145.06439	0.8
145.10098	0.8
147.08034	0.6
147.11700	1.4
149.13258	7.2
151.14799	1.0
153.12747	13.5
161.05942	0.6
167.14323	2.0
173.06117	0.6
175.07547	1.2
175.14825	9.4
176.07005	0.7
177.07791	0.6
185.09590	1.0
189.09128	1.1
193.15883	2.4
199.07565	0.7
201.09187	0.8
204.10278	0.7
205.36919	0.6
211.16940	100.0
229.10941	1.3
229.14342	0.6
241.12209	0.6
258.14899	2.5
260.12906	0.9
273.13571	2.1
296.28256	0.6
302.17490	12.6
311.12677	0.5
320.18661	3.8
345.82370	0.6
346.20181	3.2
364.21216	1.9
414.22720	4.3
432.23807	2.5
458.25226	2.1
476.26508	4.8
494.27710	10.5
495.18478	0.8
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
55.01865	1.7
55.05513	2.3
57.03436	1.0
59.04998	0.7
61.02933	1.1
65.57140	0.5
67.05515	3.7
69.03416	1.5
69.07066	3.7
70.06573	1.2
70.15604	1.0
70.16000	1.1
71.04989	3.7
73.02914	0.9
75.25239	0.6
77.85339	0.5
79.05498	2.7
80.05042	0.5
81.03409	1.7
81.07066	4.9
83.04997	1.2
83.08632	1.4
84.08131	0.9
85.02914	5.7
85.06544	7.0
85.53631	0.5
87.00813	1.4
89.93314	0.5
91.05476	1.9
93.07047	6.9
95.04994	1.1
95.08617	6.6
97.02908	1.6
97.06541	4.1
98.21454	0.7
98.97575	0.9
99.04415	1.0
99.08109	5.0
105.07037	2.6
107.08596	10.0
109.02894	0.9
109.06506	1.5
109.10156	15.5
111.08089	1.0
113.06029	1.2
119.08582	4.4
121.10136	2.8
123.00807	0.6
123.11720	3.7
124.03961	1.8
127.03886	2.3
127.11163	1.7
131.08548	0.8
133.10130	4.9
135.11694	22.8
137.05963	2.2
137.09599	1.6
139.11189	0.7
143.94527	0.6
145.05002	0.6
145.06439	0.8
145.10098	0.8
147.08034	0.6
147.11700	1.4
149.13258	7.2
151.14799	1.0
153.12747	13.5
161.05942	0.6
167.14323	2.0
173.06117	0.6
175.07547	1.2
175.14825	9.4
176.07005	0.7
177.07791	0.6
185.09590	1.0
189.09128	1.1
193.15883	2.4
199.07565	0.7
201.09187	0.8
204.10278	0.7
205.36919	0.6
211.16940	100.0
229.10941	1.3
229.14342	0.6
241.12209	0.6
258.14899	2.5
260.12906	0.9
273.13571	2.1
296.28256	0.6
302.17490	12.6
311.12677	0.5
320.18661	3.8
345.82370	0.6
346.20181	3.2
364.21216	1.9
414.22720	4.3
432.23807	2.5
458.25226	2.1
476.26508	4.8
494.27710	10.5
495.18478	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.01869	3.5
55.05512	15.9
57.03432	10.0
57.07067	1.8
59.04984	2.6
60.04518	13.9
61.02915	5.9
65.03938	2.0
67.05167	2.8
67.05503	26.6
69.03426	11.6
69.07063	25.1
71.04993	10.7
71.56647	2.4
72.08150	7.3
73.02919	4.2
79.05495	19.4
81.03422	12.4
81.07049	28.7
83.04970	4.9
83.08620	11.9
85.02897	25.1
85.06550	3.5
87.00835	4.2
91.03923	2.8
91.05476	16.0
93.07034	23.0
95.04962	17.1
95.08611	24.7
97.02903	8.1
97.06533	20.3
97.10173	8.8
98.97571	5.1
99.04444	11.3
105.01853	5.3
105.07025	11.3
107.04942	3.9
107.08594	23.4
109.02853	5.4
109.06538	7.5
109.10144	24.5
111.08061	3.0
111.11691	1.9
115.07549	4.0
117.06992	7.9
119.08570	16.2
121.06493	5.7
121.10113	9.7
123.04402	1.9
123.08041	4.5
123.11662	9.7
125.09641	6.4
127.03934	9.8
127.11192	3.2
129.06990	2.1
131.08545	9.3
133.10129	29.2
135.08058	2.6
135.11693	26.5
135.86134	1.7
137.05968	3.7
137.09587	5.3
137.13280	1.8
145.04929	4.8
145.06456	1.8
145.10117	3.7
147.11670	4.4
149.13271	6.7
153.12740	4.3
159.02888	2.8
159.08018	1.8
159.11710	2.2
161.05969	1.5
165.06955	1.7
165.12730	2.8
173.11710	1.8
175.14821	33.9
177.07858	2.4
177.12814	2.1
177.16370	2.1
184.07422	1.9
187.11243	2.3
189.09183	2.5
189.11218	3.4
193.15886	46.8
194.79089	1.4
205.12289	4.3
211.16925	98.7
223.13275	23.5
227.12709	2.5
229.10863	3.2
229.14365	5.2
233.11816	1.6
254.24886	4.4
258.14911	3.6
269.17493	3.3
273.65536	2.9
279.16025	2.1
282.15912	2.0
282.66010	4.8
297.16956	100.0
302.17450	26.4
314.26971	5.9
320.18497	9.0
332.27972	18.7
346.20163	6.2
364.21173	3.1
416.24335	2.5
432.23428	2.1
441.20966	2.5
458.25439	2.0
459.22226	2.7
476.26352	8.1
494.27472	21.1
494.34161	13.0
501.21091	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1657
Annotation	CHEBI:69649
Peak:m/z	Relative Intensity
53.03929	1.7
55.01873	3.5
56.96551	1.2
57.03434	4.5
61.02926	6.8
61.94563	0.5
63.58445	0.5
65.03915	1.3
66.49120	0.6
68.45940	0.5
68.99781	1.0
69.03429	21.9
69.03806	1.0
70.02261	1.7
70.02663	1.1
71.01324	0.7
71.04961	2.3
73.02906	4.2
79.05492	1.0
81.02991	0.7
81.03423	10.7
83.01336	0.6
84.08142	0.9
85.02908	51.7
87.04487	2.8
91.03950	3.1
91.05480	11.6
94.06528	1.4
95.04945	1.6
97.02895	19.2
98.97583	3.7
99.04453	3.6
101.00872	1.0
103.05482	1.1
104.07092	0.9
105.06985	0.8
107.01296	0.7
107.04942	3.7
108.08082	0.7
109.02876	6.1
109.06489	0.8
110.97544	1.8
115.05413	0.7
116.98607	0.8
117.07043	1.1
119.01859	1.0
119.04942	6.4
121.02879	0.7
121.06483	1.0
123.04418	3.0
125.02374	0.6
127.03918	12.1
128.98596	1.7
129.07034	0.8
131.00174	1.0
131.01846	0.9
131.04898	1.4
131.08604	0.6
133.02829	5.6
133.06451	0.8
134.05997	1.9
135.04411	6.7
135.06795	4.5
136.05234	0.7
137.05981	50.9
138.05499	4.0
141.06955	1.9
143.00085	0.7
143.01888	2.0
145.04959	8.7
145.06454	2.8
147.04431	1.1
149.01204	0.9
149.02301	1.1
151.03906	4.3
153.05515	0.7
155.01892	1.1
157.06450	0.6
158.06691	0.6
158.99634	0.9
159.04402	0.6
159.08116	1.1
161.03064	0.8
161.05963	1.9
162.03113	1.8
163.03909	2.2
167.02042	0.7
167.08549	1.0
169.03569	0.9
169.06436	1.3
169.53873	0.9
170.03835	0.8
170.99640	1.4
171.08069	1.5
171.53563	0.6
173.02972	1.1
173.05959	1.3
174.04396	0.7
174.90425	0.7
177.01823	1.6
178.54379	0.9
179.03360	6.5
179.08516	0.9
181.03474	0.8
181.06445	1.0
182.03352	1.1
183.07887	0.6
184.47978	0.5
185.02963	1.6
185.05997	0.9
185.09552	1.2
187.07527	3.2
188.07562	0.7
189.00708	1.4
190.54413	2.9
191.04160	1.2
195.08058	4.1
196.04555	1.1
196.54398	1.3
197.02921	0.9
197.05994	2.9
198.03024	0.6
198.06807	0.8
199.07587	2.5
200.04547	1.0
201.00706	1.1
201.05765	0.7
202.05199	0.6
203.04037	2.2
207.08122	0.7
211.54912	1.5
212.07684	7.8
213.05463	10.0
213.08969	2.9
215.07013	13.4
219.01776	1.7
220.02129	0.6
220.55418	0.7
221.05202	1.0
223.07523	4.6
224.08324	0.7
225.05452	3.9
225.09109	1.6
227.07069	5.4
230.08759	1.3
231.06667	0.8
237.02885	0.9
241.08591	7.4
241.55974	2.7
242.05942	1.3
242.08299	3.6
243.06531	45.6
244.07166	1.2
244.09706	23.7
245.05098	5.1
251.07034	3.0
253.08572	2.3
255.06566	1.3
260.09204	27.6
261.02899	1.3
264.07809	0.7
269.08075	19.2
270.36621	0.7
271.09634	4.6
272.06772	1.0
272.09665	1.3
273.08096	2.3
273.58325	0.9
275.05737	0.6
281.07025	3.2
286.07773	0.6
286.10724	17.6
288.12292	2.9
296.09265	0.8
297.07568	10.9
305.07108	0.8
312.07019	0.8
314.10406	1.0
315.08633	56.8
316.09064	0.8
322.58673	0.6
323.09204	0.7
332.11288	100.0
333.11560	1.2
362.09674	1.3
456.11395	1.2
458.14862	2.8
476.15256	4.1
494.16580	54.0
509.01300	0.6
510.29367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1661
Annotation	CHEBI:69649
Peak:m/z	Relative Intensity
53.03964	0.7
55.01867	2.6
57.03434	2.5
61.02929	6.3
63.23804	0.8
65.03947	0.9
67.65979	0.7
67.84111	0.6
69.03084	1.4
69.03433	17.4
69.28101	6.3
70.60831	0.7
71.04984	3.0
73.02910	3.5
79.05476	1.5
79.12778	0.7
81.03416	9.5
83.01325	1.2
85.02909	42.0
87.04471	2.0
91.03960	2.3
91.05485	12.2
95.04960	0.9
97.02892	17.3
99.04458	3.0
105.03406	1.2
107.04961	3.5
109.02883	5.8
109.06503	1.2
117.06998	0.9
119.04939	7.7
120.05753	1.1
121.06532	0.7
123.04433	3.0
127.03915	8.9
129.06955	1.0
131.04916	1.2
133.02869	7.4
133.06534	1.1
135.04405	7.2
135.06786	2.9
137.05983	65.2
145.04939	7.4
151.03920	3.9
153.06979	0.8
157.06575	1.1
159.04413	1.1
161.02460	1.0
161.05988	2.3
162.03125	2.3
163.03903	2.8
167.08569	1.3
171.08044	2.4
175.03935	1.0
176.72629	0.8
177.01846	2.5
179.03398	8.2
181.06480	1.2
185.09630	0.8
187.07545	0.9
195.08034	3.6
197.06044	2.4
199.07544	3.1
200.37616	0.8
205.06581	1.1
207.08093	1.4
213.05467	5.0
213.09006	3.6
215.07024	5.6
223.07533	5.0
225.05493	2.0
225.09074	2.6
226.06306	1.2
227.07120	4.0
241.08600	7.8
243.06517	16.7
244.09714	8.9
251.06984	4.2
251.19783	0.7
253.08563	3.0
255.06488	2.9
260.09125	6.6
269.08105	24.5
271.09659	2.5
286.10745	4.6
288.12137	1.5
292.19009	0.8
297.07562	15.8
314.09967	1.1
315.04764	1.0
315.08624	74.8
332.11285	100.0
333.11847	1.2
458.14465	1.5
476.15402	2.5
494.16568	48.8
495.16562	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1663
Annotation	CHEBI:69649
Peak:m/z	Relative Intensity
53.03932	3.0
55.01872	3.8
56.96540	0.9
57.03434	3.9
61.02926	6.8
65.03941	0.8
67.51069	0.6
69.03091	1.2
69.03429	15.3
69.67515	2.8
69.67919	1.7
70.06573	2.8
71.01329	1.0
71.04975	1.3
71.78463	0.6
72.08125	0.8
73.02925	3.4
79.05479	1.5
81.03422	10.6
84.08145	0.7
85.02909	41.7
87.04433	2.8
91.03928	2.5
91.05479	11.5
95.04919	2.1
97.02300	1.3
97.02895	18.2
98.97557	1.6
99.04450	3.4
107.04971	3.7
109.02892	5.2
109.06504	0.8
115.03902	1.2
119.04945	7.0
120.05722	1.3
120.08113	0.9
121.06481	1.1
123.04408	2.6
125.02285	1.1
127.03945	6.9
129.15231	0.8
130.15915	0.9
131.04921	2.1
133.02832	9.5
133.06509	1.2
134.06033	1.6
134.31189	0.7
135.04410	7.6
135.06766	2.6
136.05243	0.9
137.05978	56.6
141.06970	0.9
145.04930	9.2
145.06435	1.9
147.04395	2.0
149.05963	0.8
151.03915	4.5
157.06454	0.8
159.04407	1.5
161.02435	1.3
161.05959	1.9
162.03123	2.3
163.03975	3.4
167.08551	2.2
169.06496	1.5
171.08044	1.7
173.05957	0.8
175.07437	1.2
177.01805	2.2
179.03391	7.6
179.08690	0.9
181.06433	1.1
183.08075	0.7
185.05969	1.0
185.09627	0.9
187.07486	1.8
195.08087	3.7
197.05972	3.0
198.06720	0.8
199.07532	2.3
205.04956	1.0
213.05530	7.5
213.09061	3.0
215.07034	9.2
223.07607	5.4
225.05464	1.9
225.09134	1.5
227.07047	2.9
241.08633	8.2
242.08080	2.0
243.06525	21.0
244.09677	16.3
246.18567	0.7
248.14986	0.8
251.07101	3.6
253.08624	2.3
255.06602	1.8
260.09207	10.6
269.08075	17.5
271.09708	5.6
279.06369	0.9
286.10742	15.3
288.12311	2.3
292.23709	0.7
297.07547	11.3
314.10065	1.1
315.08624	74.5
316.09079	1.1
328.12567	0.8
332.11279	100.0
403.12909	0.9
458.14194	1.5
471.58383	0.8
476.15533	3.8
494.16550	25.4
494.23700	1.5
509.25424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01873	4.7
57.03430	3.5
61.02931	5.0
66.84686	0.8
69.03434	12.9
69.76852	4.9
71.04998	1.7
73.02918	2.0
74.06091	1.3
79.05476	1.2
81.03419	8.3
85.02908	37.4
87.04457	2.5
91.03945	1.9
91.05470	6.1
93.82681	0.8
95.04976	2.0
97.02893	16.7
99.04443	2.3
99.85372	0.9
107.04949	3.5
109.02898	5.8
109.06511	1.0
115.05465	1.4
117.07021	1.0
119.04947	5.1
121.06535	1.1
123.04419	4.7
127.03932	7.4
133.02882	1.3
133.06522	1.8
134.05974	6.3
135.04449	5.0
135.06802	14.7
137.05983	22.7
139.04004	0.9
141.06992	2.8
145.04974	6.9
145.06502	4.8
147.04391	1.1
147.08052	1.6
150.05527	0.9
151.03900	1.9
153.06775	0.9
157.06493	1.3
159.08073	1.4
163.03928	1.7
169.06516	2.6
173.06046	2.1
175.07646	1.4
179.03435	5.4
185.06004	5.1
187.07602	5.3
187.58620	0.8
197.06044	6.1
198.06880	1.2
199.07486	2.9
213.05475	27.9
215.07024	31.5
223.07545	1.7
225.05515	5.2
225.09016	1.9
227.07034	8.1
231.06514	2.4
241.08665	3.0
242.08090	6.3
243.06541	72.2
244.09706	63.5
245.10039	1.2
253.08553	1.0
255.06447	1.1
260.09186	34.1
263.07007	2.0
269.08066	8.5
271.09668	23.5
286.10739	44.1
288.12320	13.7
297.07687	4.4
314.10400	3.0
315.08636	31.7
315.12393	1.5
330.73566	0.9
332.11292	100.0
374.12399	1.4
404.13623	1.1
458.14496	3.3
468.03107	0.9
476.15555	6.2
494.16583	40.1
514.84509	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2956
Annotation	Epothilone G2
Peak:m/z	Relative Intensity
55.05511	0.8
56.05035	0.4
62.24368	0.4
65.38266	0.4
67.05508	2.3
69.07074	0.5
69.42989	2.9
71.08605	0.6
79.05486	1.4
81.03416	1.5
81.06649	0.3
81.07039	2.3
81.57544	0.3
91.05486	2.0
93.07041	1.6
95.04976	0.7
95.08612	0.6
97.06545	1.0
97.10183	0.5
98.70254	0.4
105.07043	1.2
107.04977	0.4
107.08607	0.6
113.30213	0.4
119.08584	0.5
119.35687	0.4
120.08146	0.5
120.21470	0.3
121.06507	0.5
121.10186	0.5
129.06993	0.7
130.06476	0.7
131.08595	1.0
132.05690	0.7
133.10127	0.5
134.06058	0.5
134.09651	0.5
137.05959	1.0
145.06554	0.6
146.05984	1.2
147.06804	5.7
147.07927	0.7
148.07576	3.8
148.11183	1.4
149.11972	1.2
157.06493	0.4
159.08066	0.9
160.11263	0.7
161.06009	0.9
162.05553	0.5
163.06297	0.6
164.07057	0.8
171.08063	0.6
172.11308	0.4
173.09608	0.4
174.09215	0.6
176.07083	14.5
176.10707	25.6
177.07881	2.9
177.11496	3.1
186.09167	0.6
187.07556	0.8
188.06937	0.4
188.10747	0.9
189.09137	0.7
189.11429	0.6
190.08662	2.5
197.84511	0.4
202.12309	2.2
204.10204	19.7
205.10991	16.6
206.11710	2.2
213.26302	0.4
215.10802	0.5
216.10246	0.5
229.10846	0.5
239.28748	0.5
255.12540	0.5
260.12729	0.4
302.17441	0.5
320.25772	1.9
351.25299	1.8
352.22763	0.6
354.20532	0.5
370.23978	0.5
380.21860	0.7
386.23413	2.7
388.21130	0.5
398.23331	1.5
401.22009	3.0
411.41534	0.5
412.24829	9.4
430.25912	100.0
431.26236	0.8
448.26871	1.4
456.27460	0.6
474.28531	38.8
475.28931	0.5
492.29678	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	493.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48316	4.2
51.73630	4.0
54.87524	4.0
55.05508	9.2
57.03440	9.7
57.06832	4.2
57.07081	60.7
67.05499	17.5
67.23103	3.9
69.07053	9.0
69.70803	21.3
71.08633	43.7
79.05476	6.6
81.07069	21.9
83.08616	21.1
85.10184	23.8
86.44604	3.6
92.21064	3.7
93.07018	6.4
95.08609	34.5
97.10151	11.1
100.90635	3.9
105.07027	5.9
107.08612	4.3
109.10163	22.6
121.10133	4.9
123.11655	5.6
131.00206	4.8
146.73961	3.9
149.23395	3.4
151.14883	4.0
151.81125	3.8
159.13080	3.7
216.51949	4.0
239.23688	47.4
267.71707	4.4
275.38651	4.4
313.27399	100.0
331.28384	8.7
334.28186	5.3
347.17200	15.3
347.67630	5.3
493.33026	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	492.2722
Annotation	Zygosporin G
Peak:m/z	Relative Intensity
53.03942	1.1
55.01870	1.4
55.05509	7.2
57.03446	3.6
57.07065	1.1
61.02915	0.6
62.06086	0.8
65.03933	1.2
67.05183	1.0
67.05507	16.8
69.07071	7.2
69.24723	0.6
71.04971	1.3
71.08234	1.1
71.08634	22.0
71.56792	0.9
79.05491	17.0
79.05956	1.0
81.03419	4.0
81.06590	1.0
81.07059	19.5
83.04985	3.9
83.08617	4.3
86.06030	0.6
91.05481	12.4
93.06475	1.2
93.07043	20.3
94.07381	0.7
95.04983	4.5
95.08607	14.1
97.02890	1.0
97.06525	5.0
97.10168	1.9
98.06052	2.3
98.98458	2.5
99.07493	0.9
99.08092	14.2
105.07037	8.6
107.04949	2.4
107.08595	12.6
109.06506	1.6
109.10151	5.5
109.64329	0.7
111.08093	0.9
113.09641	1.3
117.07008	2.3
119.08580	7.5
119.60910	0.7
121.06503	0.9
121.10143	9.8
123.08060	0.8
123.11662	1.2
125.09631	0.7
126.43806	0.6
129.06979	1.6
131.08563	2.1
133.10117	6.6
134.00969	0.6
135.08037	0.7
135.11690	10.3
137.06007	1.0
137.09586	1.1
141.09053	1.5
143.08525	0.8
145.10150	2.3
147.11656	3.7
149.13242	2.9
151.11188	8.5
153.12761	1.1
157.10139	1.2
159.11719	1.8
161.09537	0.8
161.13239	5.5
163.11147	2.1
163.14790	0.7
165.12759	0.9
167.10692	1.0
171.11784	0.9
175.14841	1.1
176.07039	0.9
176.10771	1.0
177.12762	1.4
179.14314	30.8
185.13249	1.6
189.12740	1.0
204.10234	1.0
205.10890	0.7
207.13838	0.9
216.06241	1.3
222.18550	3.3
241.19531	0.8
259.20541	1.4
277.21634	20.6
282.17548	1.1
291.19296	0.9
302.24765	1.8
320.25842	36.3
351.25287	100.0
352.25546	1.0
386.23236	0.9
413.21152	0.7
430.25693	6.7
431.21872	2.8
474.28946	4.0
492.26563	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	492.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00603	1.9
55.01865	2.0
55.05500	5.3
56.96555	2.3
57.03422	4.3
58.92410	1.6
59.04990	2.0
61.02918	4.0
63.57375	1.9
67.05487	6.1
69.03419	8.3
69.07054	8.4
69.18385	4.7
69.18787	16.4
70.06591	4.3
71.05000	2.1
73.02899	2.4
74.20319	1.9
76.69782	1.7
79.05495	18.4
81.03397	7.2
81.07059	28.8
83.04982	2.8
83.08595	2.5
85.02904	18.6
85.06512	2.4
87.00826	4.7
91.05450	8.4
93.07033	13.7
95.04960	9.4
95.08593	12.7
97.02880	7.6
97.06516	8.6
98.97566	2.3
99.04459	3.4
105.01860	4.5
105.07030	11.5
107.07871	3.9
107.08593	67.1
109.02880	4.3
109.06525	10.2
109.10143	6.4
119.08549	8.5
121.10136	23.8
123.08056	4.2
123.11684	3.3
123.44649	1.8
124.03938	6.8
125.09618	3.9
127.03904	7.9
131.08574	4.7
133.10121	8.5
135.08015	2.2
135.11671	7.2
137.05971	5.9
137.09560	2.6
143.00186	1.8
145.04936	5.7
147.11652	5.8
149.05997	2.5
149.13226	2.6
151.11215	2.1
153.09064	4.2
159.02901	3.0
161.13289	15.9
163.14824	6.4
165.12708	9.1
169.01239	2.3
173.13193	5.7
179.14314	100.0
191.14302	16.8
209.15364	42.5
227.16388	14.6
248.12729	4.7
249.06146	2.9
302.17487	2.1
372.21878	3.3
492.18323	4.0
492.24615	4.1
492.29709	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
53.26657	1.1
53.92397	1.0
55.05515	8.1
57.03428	3.6
62.06087	8.3
63.29419	0.9
63.66399	0.8
67.05502	20.0
69.07068	7.6
69.28146	9.6
71.05000	2.6
71.08633	24.5
71.45533	0.9
79.05492	23.9
81.03413	3.5
81.07058	27.2
83.04967	4.1
83.08632	6.3
83.09048	0.9
85.06548	2.2
91.05481	15.8
93.07047	27.4
95.04964	4.5
95.08605	18.8
97.06531	6.1
97.10183	2.5
98.06091	1.2
98.98466	12.1
99.08098	18.7
99.08718	0.7
100.43339	1.0
105.07024	10.8
107.04962	4.2
107.08590	16.2
109.06527	2.7
109.10158	5.8
111.08096	1.6
113.09649	1.8
117.07034	2.7
119.08593	10.3
121.10142	15.8
123.08070	2.4
123.11719	1.3
129.06996	2.2
131.08524	2.7
133.06564	1.3
133.10152	7.0
135.11687	16.7
136.06206	4.1
137.09612	1.9
139.07597	1.2
139.11198	1.3
141.09126	2.1
142.02623	1.8
145.10167	2.4
147.11696	3.4
149.13243	3.8
151.11166	12.4
155.01079	7.2
157.10109	1.2
159.11621	1.8
161.13254	10.8
163.11165	4.9
163.14711	1.7
165.12711	1.5
171.11656	2.0
173.02049	2.2
176.10631	1.0
177.12823	1.9
179.14307	54.8
185.13345	1.4
189.12733	1.8
198.05309	1.5
199.08147	1.1
199.14693	1.3
204.12436	1.5
216.06354	3.6
221.15375	1.4
222.18513	2.4
231.21187	2.0
234.13548	2.2
235.17113	1.4
241.19569	1.8
259.20438	5.2
262.66098	1.1
277.21631	42.5
291.18900	1.1
293.07626	1.5
295.76443	1.0
320.25800	9.7
333.14645	6.8
351.25296	100.0
352.25687	1.3
413.20871	4.1
430.25885	8.4
431.21936	64.2
449.22925	9.3
474.26050	10.1
492.27325	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	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01867	4.3
55.05505	8.3
55.34473	1.1
56.56905	1.1
56.67942	1.1
57.03436	2.4
57.97704	1.1
59.95959	1.1
61.02915	3.3
64.35735	1.3
65.13014	1.1
67.05494	3.3
68.99795	1.3
69.03435	20.8
69.07056	3.8
69.88800	2.1
69.89194	3.4
71.04979	3.8
73.02902	2.6
76.08691	1.1
79.05480	5.3
81.03058	1.3
81.03429	13.6
81.07042	3.5
83.04987	16.5
83.08597	4.0
85.02907	58.0
85.06537	1.5
87.00305	1.8
87.00832	28.2
91.05473	4.9
93.07037	5.1
95.08614	6.3
97.02891	22.9
97.06529	2.3
97.10170	2.2
98.20803	1.5
99.04422	6.5
105.01870	46.0
105.07011	4.6
107.04896	1.2
107.08596	54.7
109.02880	19.3
109.06528	3.1
109.10151	6.5
111.08070	7.0
113.30791	1.4
119.08598	1.8
121.06540	2.3
121.10156	11.2
123.08057	2.3
123.11698	1.4
125.09605	2.2
127.03928	39.3
127.07531	3.8
131.08556	2.8
133.09114	1.8
133.10130	27.5
135.08089	7.1
135.11694	5.7
137.09607	11.8
145.04953	15.1
147.11674	4.8
149.09589	1.4
149.13281	8.9
151.11240	7.5
153.09105	9.6
159.02965	6.7
163.14839	5.3
173.13255	5.9
189.03925	2.1
191.14310	100.0
209.15372	25.5
213.03976	2.9
231.05003	16.6
249.06128	6.5
447.46707	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01866	3.0
55.05518	10.9
57.03424	2.0
57.07063	3.5
67.05493	6.1
69.03433	12.6
69.07057	4.8
69.46502	9.4
71.04985	2.3
78.70647	1.4
79.05499	8.7
81.03418	6.8
81.07059	17.4
83.04980	15.1
83.08624	9.8
85.02905	20.0
85.06531	4.0
87.00830	10.5
91.05481	5.9
93.07044	8.7
95.04971	21.0
95.08613	6.8
97.02896	7.1
97.06536	10.8
99.04436	9.0
104.51458	1.5
105.01868	7.5
105.07040	13.4
107.08590	18.6
109.02895	6.8
109.06522	22.2
109.10151	22.5
111.08076	4.5
113.09700	1.6
115.07564	3.2
117.07030	1.5
119.08627	8.4
121.10139	19.1
123.08054	3.3
123.11665	6.7
125.09608	4.0
127.03918	11.9
127.07656	1.5
131.08577	7.1
133.10133	37.3
133.45811	1.5
135.08043	6.2
135.11670	4.5
137.09563	1.6
139.11189	3.0
145.04938	4.7
145.10135	6.1
147.11713	8.4
149.13240	7.8
151.11165	16.2
153.09099	13.3
158.10927	4.8
159.02899	4.9
163.14809	4.9
165.12752	3.4
167.13026	1.5
167.14326	18.2
173.13283	21.7
175.14786	5.1
181.15770	1.4
182.82492	1.3
191.10606	2.0
191.14331	22.5
209.15367	100.0
227.12804	2.1
227.16408	15.7
231.04933	2.8
268.59158	1.4
296.51730	1.6
502.96884	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.9
53.03942	0.9
55.01867	0.7
55.05513	1.6
56.96562	0.6
57.03442	0.8
61.02933	0.6
67.05500	6.2
68.35729	0.4
68.99797	0.8
69.03436	2.6
69.07063	2.1
70.06584	1.1
71.05007	0.8
71.56607	0.5
72.08128	0.6
73.02925	0.7
73.30914	0.4
74.09708	0.7
75.77643	0.4
78.03457	7.1
79.01850	0.5
79.05490	2.6
80.05021	1.9
81.03418	7.6
81.07061	4.9
83.04980	0.7
83.08626	1.3
84.04513	0.5
84.08116	0.6
85.02908	2.0
85.06581	0.5
86.09704	0.7
91.03926	0.9
91.05486	3.8
92.05820	0.4
92.99149	0.5
93.07040	2.1
95.01327	6.6
95.04980	2.0
95.08604	3.4
96.04513	1.8
96.08127	0.5
96.25491	0.5
97.02892	11.0
97.06524	2.6
97.10194	0.5
98.97594	1.1
99.00787	0.5
99.08100	0.8
104.10771	1.1
105.07018	2.3
106.02914	25.7
107.04997	0.6
107.08591	1.9
109.02885	0.6
109.06511	0.9
109.10147	6.4
116.98647	0.7
117.07018	0.4
119.04940	0.5
119.08569	1.5
121.10127	0.8
123.00789	59.4
123.11729	0.9
124.03951	100.0
124.11311	0.5
125.02350	58.5
127.03905	0.7
129.07010	0.8
131.04915	0.5
131.08553	1.2
133.06427	0.5
133.10123	0.7
135.04518	0.5
135.11731	0.8
137.05986	4.1
137.09607	7.8
141.01817	31.4
145.04994	0.6
145.06552	0.6
145.10159	0.7
147.04362	0.5
147.06792	0.5
147.11684	0.9
149.05956	0.5
149.09689	0.4
149.13260	0.5
149.79214	0.4
153.05438	1.1
157.10086	0.8
159.08029	1.0
161.06032	0.5
163.11122	0.5
164.07040	0.6
165.09100	4.5
165.12810	0.8
169.01318	97.6
170.01707	0.5
175.07629	0.5
175.11142	0.6
176.06985	0.8
176.10695	1.0
177.07797	0.7
178.80028	0.4
180.13797	0.8
181.06612	0.4
184.07346	1.0
187.02324	0.9
187.07556	0.5
188.10728	0.7
189.09029	0.6
193.12253	0.6
197.09482	0.6
198.14844	1.2
201.11119	0.7
202.10672	0.5
202.12366	0.6
204.10117	0.6
205.10876	0.9
206.11714	0.7
209.06009	0.5
209.15385	0.8
210.62268	0.5
214.08687	0.5
216.10170	0.5
218.04420	0.4
230.11620	0.5
242.11867	0.6
244.09612	1.1
246.03954	5.0
248.12756	0.5
267.15848	0.5
282.15808	0.8
282.66043	0.7
292.04507	40.4
293.05185	0.5
300.15692	0.7
302.17560	0.7
310.05484	2.8
318.16928	1.7
320.25986	0.5
343.17975	0.5
351.25311	0.8
354.20538	0.7
362.19431	0.8
364.21228	0.8
365.21710	0.5
372.21756	2.6
377.84250	0.5
384.21396	2.2
387.20251	0.7
398.23239	0.9
416.24396	8.8
430.25821	1.5
448.26913	3.6
460.26749	2.2
474.24048	0.9
492.14655	0.9
492.23373	8.1
492.29636	7.7
509.75381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.01857	3.7
55.05511	29.3
56.96557	4.8
57.03444	5.6
57.07076	12.2
57.09884	2.1
61.02932	5.6
63.56386	2.7
67.05511	29.1
69.03440	10.9
69.07070	60.2
69.24422	13.5
69.24855	9.9
71.08625	3.8
73.02921	4.0
79.05498	20.9
81.03414	9.3
81.06585	5.1
81.07059	94.3
81.96451	2.5
83.04990	3.1
83.08627	34.7
85.02422	4.4
85.02901	46.4
85.03378	3.8
85.06535	6.8
85.39516	2.3
87.04446	2.8
91.04987	2.7
91.05444	13.8
93.07040	21.6
95.04967	8.1
95.08607	100.0
97.02898	13.5
97.06549	18.1
97.10169	27.6
98.97591	4.1
99.04446	3.7
99.08083	6.4
105.07040	15.1
107.04970	7.8
107.08606	18.1
109.02898	5.2
109.06503	2.8
109.10162	65.2
111.08083	5.0
111.11722	22.2
113.09667	2.7
117.07024	4.7
119.08598	8.6
121.06524	5.9
121.10147	12.8
123.11705	32.8
125.09690	4.2
125.13287	16.1
127.03903	12.6
131.08549	4.8
133.10124	6.4
135.08160	2.7
135.11685	10.7
137.06001	9.8
137.13274	28.3
143.08519	3.3
145.02925	2.3
145.04955	15.6
145.10126	4.9
147.06839	4.4
147.11697	2.7
149.13274	10.6
151.11130	2.9
151.14796	18.0
157.10133	4.9
159.08043	4.1
161.05998	3.8
161.09583	3.3
161.13239	2.7
163.03894	3.1
163.06000	13.1
163.14868	5.3
165.09151	4.2
165.16399	7.7
169.15837	4.4
173.13184	2.4
177.16467	2.9
179.17932	4.9
183.11673	2.8
189.11310	3.5
191.17897	3.1
193.12283	3.6
193.19598	4.4
205.19537	2.6
219.13809	3.6
219.21072	3.1
227.12772	9.7
232.00204	2.3
233.62445	2.9
247.13234	6.8
271.06552	2.7
275.27319	9.2
293.28369	18.5
294.63116	3.1
300.92947	2.4
307.01215	3.3
329.06604	2.4
333.06534	6.8
351.07501	4.4
369.08459	2.5
386.23148	2.8
387.07394	2.9
405.07834	2.4
430.25998	20.6
443.33838	4.7
448.26740	6.9
455.24939	2.5
466.21075	2.5
473.25555	5.2
474.28043	3.0
491.17636	4.1
491.26892	16.0
491.35403	6.5
492.29486	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	490.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.01864	2.1
55.05515	8.3
56.05033	1.7
56.96560	2.0
57.03435	1.4
61.02932	1.5
61.55745	1.1
64.27922	1.1
65.03955	1.0
67.05508	14.8
68.05020	4.5
69.03422	2.8
69.07072	7.9
69.74147	6.5
70.06564	1.5
71.05014	1.4
79.05497	13.7
79.36884	1.3
81.03421	11.0
81.07060	17.7
83.04960	3.4
83.08611	3.9
85.02895	1.8
85.06544	1.9
86.09703	2.1
91.05487	22.9
93.07044	11.4
95.04987	8.6
95.08591	7.2
97.00461	1.1
97.06539	11.4
97.10173	3.0
98.20845	2.3
105.07036	11.5
107.04966	3.6
107.08586	6.4
109.06506	2.8
109.10179	2.2
111.08096	2.0
112.58739	1.1
115.05447	1.8
116.06213	1.5
117.07030	2.4
119.04954	3.4
119.08592	9.0
121.06487	2.5
121.10180	6.2
123.08054	2.0
125.00013	1.7
128.06276	1.5
129.06993	7.0
131.04991	2.6
131.08574	24.8
133.06508	2.7
133.10146	4.8
133.32294	1.1
134.06047	2.0
135.11737	2.3
137.05986	10.5
137.09622	1.4
141.06978	2.2
143.08582	2.2
144.05702	2.8
145.06535	5.4
145.10135	4.2
147.03183	1.0
147.04417	3.4
147.06990	1.3
147.07996	6.2
147.11678	3.8
148.07558	5.2
149.06017	4.2
149.09613	2.1
151.11153	1.3
155.08554	2.7
157.06520	2.8
157.10156	2.3
158.07233	1.3
159.08064	27.2
160.07556	1.5
161.05991	8.2
162.09145	1.8
163.06284	5.3
163.07593	3.8
163.11154	1.9
164.07079	6.4
164.08296	1.3
171.08093	1.9
171.11775	1.8
173.06027	1.4
173.09570	5.4
174.05453	1.6
174.09158	6.0
175.06323	1.6
175.07600	10.1
175.11215	2.5
176.07066	12.9
176.08385	6.6
176.10640	7.5
177.07790	1.3
177.09132	20.5
184.07327	5.3
187.07558	4.9
188.07108	2.0
189.09160	2.6
190.08630	5.3
191.10742	1.7
193.12280	2.8
199.07639	2.1
201.09172	3.5
202.08701	3.3
202.12212	1.3
203.09393	4.9
204.10286	9.8
205.10944	3.5
213.09178	3.3
215.10722	1.9
218.08179	5.0
218.11731	2.1
219.12498	1.4
227.10693	2.8
233.11751	3.4
246.11406	1.5
247.12053	12.9
248.12839	2.6
333.65875	2.1
351.18661	1.8
362.33917	1.3
383.22055	2.6
388.21259	3.2
400.21402	6.4
401.22540	1.5
410.23560	2.5
412.24634	1.2
412.34158	1.3
422.23282	7.5
428.24258	8.9
429.25198	1.3
430.25961	22.0
436.25018	2.1
440.24411	7.7
444.27429	10.2
446.25452	6.6
454.25949	24.9
454.33310	1.6
472.26993	100.0
490.27979	43.2
490.35638	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	490.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10467	1.2
53.03940	2.6
55.01871	4.5
55.05504	4.1
57.03427	3.7
61.02933	6.6
67.05491	5.0
68.01648	1.4
69.03430	13.7
69.07058	2.4
71.04987	3.8
72.96928	1.1
73.02901	4.8
73.75689	1.1
79.05488	3.3
79.81999	1.2
81.03426	11.1
81.07056	4.4
83.04975	4.4
85.02905	34.1
85.71732	1.3
87.00819	12.3
91.03933	3.7
91.05467	3.7
93.07047	4.5
95.05031	2.6
95.08583	6.6
97.02879	14.6
97.06532	4.2
98.97630	1.4
99.04459	3.8
99.08076	2.3
105.01874	11.6
105.07021	3.5
107.08594	3.6
109.02881	8.5
109.06516	4.5
109.10188	1.8
111.04432	2.9
119.08578	3.3
119.49792	1.4
121.06528	2.9
121.10120	6.0
123.08070	100.0
127.03920	20.5
129.01805	2.0
131.08586	2.0
133.10144	3.0
134.10577	1.1
135.11687	2.1
136.07707	1.3
137.05963	3.5
137.09547	1.9
145.04977	8.2
147.06783	1.7
147.11632	3.0
148.82011	1.3
149.02344	11.6
149.09615	9.4
151.07501	2.6
151.11212	6.5
159.02875	5.0
161.13216	1.7
163.11183	1.9
165.12744	1.9
167.10721	3.1
175.07550	1.7
175.77275	1.4
176.10721	1.4
181.12245	8.6
181.23769	1.4
189.12755	3.8
203.07030	2.4
207.13803	19.2
210.76979	1.3
225.14850	55.9
231.04996	6.3
257.19745	1.3
264.23172	2.2
293.13773	7.1
328.25143	2.6
400.22379	2.2
459.65405	1.4
490.28305	13.2
514.18140	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2798
Annotation	Isomigrastatin
Peak:m/z	Relative Intensity
53.03944	1.0
55.01862	2.5
55.05516	4.6
57.03423	1.4
65.03941	1.4
67.05505	10.3
68.05022	3.0
69.03427	1.4
69.07060	3.1
69.51704	3.2
69.52135	3.4
70.21463	1.0
71.05000	1.0
79.05499	10.9
81.03423	16.2
81.07056	10.7
83.04981	2.5
83.08625	5.7
84.04512	1.4
85.02892	0.9
85.06519	1.9
86.09684	1.8
87.07687	0.8
91.05482	15.1
93.07037	7.2
93.37537	1.0
95.04951	8.4
95.08588	4.9
95.22742	0.8
97.02926	1.0
97.06541	6.1
97.10179	1.4
97.15510	0.9
103.05442	1.9
105.07039	9.0
107.04952	2.5
107.08571	5.3
109.06505	1.7
109.10160	2.5
111.08088	1.9
115.05465	1.3
116.06190	1.1
117.07014	3.2
119.04926	1.9
119.08570	7.8
121.06519	1.1
121.10148	4.1
123.08128	1.9
123.11736	1.0
129.07001	7.0
130.07791	1.2
131.04919	1.7
131.08563	19.3
132.05750	1.0
133.06497	2.5
133.10110	4.0
135.11633	1.1
137.05983	5.3
137.09570	1.2
141.07066	1.3
143.08507	1.5
144.05734	2.2
145.06503	3.6
145.10130	3.2
147.04358	1.1
147.06857	2.1
147.08066	4.1
147.11688	4.0
149.05971	2.3
149.09624	3.2
155.08598	1.7
157.06516	1.5
157.10144	3.5
158.07178	1.0
158.96718	0.9
159.08055	17.6
161.06006	5.2
161.08366	1.4
161.09663	1.2
163.06343	2.1
163.07590	1.7
163.11143	1.1
164.07077	4.3
166.07991	0.9
171.08072	2.0
173.05933	1.0
173.09645	6.8
174.09154	5.5
175.07571	8.9
175.09874	1.4
175.11192	2.1
176.07062	8.8
176.08348	2.3
176.10744	4.0
177.09114	13.8
184.07356	4.2
185.09613	1.0
187.07510	7.1
189.09158	2.7
190.08632	3.3
193.12260	5.6
195.13902	1.3
197.09590	3.2
199.07487	1.9
199.11111	1.1
200.10753	1.0
201.09138	5.0
201.77693	1.1
202.08650	2.6
203.09447	3.0
204.10190	7.7
205.10925	1.6
213.09099	2.8
218.08084	3.3
218.11874	1.5
223.11450	1.2
227.10718	2.2
246.10719	1.1
247.12038	8.0
248.12898	1.4
291.90936	1.0
325.18118	2.6
351.19617	0.9
357.20538	2.8
369.20499	1.1
388.21127	6.7
395.74823	1.1
400.21146	8.8
401.22443	4.1
412.24979	1.9
414.23254	1.4
422.23160	2.3
426.26144	1.2
428.24402	18.1
429.24969	2.5
430.25912	20.4
440.24350	9.2
444.27576	11.5
446.25479	4.5
454.25864	11.6
472.26965	100.0
473.27414	1.8
490.27957	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	490.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01875	2.1
55.05509	8.1
57.03429	5.0
61.02928	5.2
65.03927	2.0
67.05514	4.7
69.03426	9.6
69.07056	3.3
70.02084	4.3
71.05016	2.7
73.02914	2.3
73.06552	3.7
79.05485	3.0
81.03410	7.9
81.07047	7.1
83.05005	6.6
83.08644	2.2
85.02911	35.9
87.00834	7.2
91.03967	3.9
91.05493	5.5
93.07056	4.5
95.04979	2.5
95.08601	5.2
97.02892	13.3
97.06519	5.7
98.21268	3.0
98.97603	2.0
99.04455	4.6
105.01881	9.2
105.03391	11.3
105.07037	8.3
107.04974	1.8
107.08614	7.1
109.02882	9.5
109.06522	13.4
109.10146	5.2
111.08105	4.8
115.03912	1.3
117.07061	1.5
119.08620	7.4
119.53382	1.7
121.10151	15.5
123.00780	1.8
123.04406	1.8
123.08076	4.8
123.11718	15.9
124.03931	3.0
125.02381	1.6
125.05990	3.3
127.03924	12.3
131.08572	2.6
133.10104	1.9
135.08063	2.7
135.11676	3.0
137.05992	3.0
137.09624	25.1
137.10597	2.2
137.13240	2.2
143.08376	1.6
145.04968	6.3
145.10042	3.0
147.07996	1.9
147.11684	14.1
149.01164	2.8
149.02357	56.9
149.09631	7.2
151.07487	2.3
156.09239	1.9
159.02917	3.0
161.13269	7.2
162.95007	1.4
163.11192	1.5
165.12764	100.0
169.01358	4.1
171.11745	2.8
174.10379	2.5
179.14343	8.4
189.02177	1.3
189.12744	19.6
203.07101	4.1
204.10139	3.0
205.10919	1.5
207.13824	63.6
221.08073	8.8
224.10750	5.5
225.14890	5.4
231.05022	3.0
293.13818	14.9
370.23816	1.9
389.39658	1.5
392.21317	1.5
446.25272	1.9
490.16919	6.6
490.28571	19.8
490.34839	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3576
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
51.21932	2.7
55.05499	8.9
67.05489	13.2
69.07063	11.1
70.73690	9.2
79.05477	11.3
81.07052	22.1
83.08612	6.3
85.06518	4.0
86.09684	8.9
87.76184	3.2
91.05476	17.4
93.07037	25.6
95.08602	33.4
99.08089	11.9
101.75874	2.6
105.07032	35.8
107.08590	45.6
109.10149	15.3
117.07024	7.1
119.08581	67.0
121.10122	24.3
123.11682	4.6
125.00003	4.2
131.08554	31.9
133.10112	40.7
135.11661	16.2
145.10123	35.4
147.11674	59.7
149.09637	3.4
149.13257	8.8
159.11687	24.0
161.13258	13.7
163.11157	10.8
163.14819	12.6
171.11703	8.3
173.13303	17.1
175.14836	18.0
177.12752	3.3
177.16388	18.9
184.07422	16.9
185.13179	7.9
187.14822	57.3
189.16379	55.6
191.14369	3.6
191.17999	6.7
199.14796	5.1
201.16382	100.0
203.17874	5.6
205.15884	69.3
207.17438	12.7
213.16454	5.3
215.17885	7.6
219.17418	17.8
227.17896	3.2
228.26550	3.1
231.17494	4.8
248.39703	3.0
347.84415	3.2
353.28317	4.8
388.33127	2.8
389.32098	7.9
407.32990	51.6
425.34238	27.6
435.32278	7.2
453.33582	43.2
458.77878	3.1
471.34464	10.6
489.34680	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	489.3581
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
55.05515	11.3
57.07052	3.8
62.92019	1.7
67.05505	18.9
69.06714	1.5
69.07071	10.6
69.80553	6.3
69.80962	3.8
71.07372	2.2
71.31241	1.6
73.26389	1.5
79.05495	12.4
81.07053	20.7
83.04988	2.9
83.08627	8.6
85.06535	3.4
86.09705	7.3
91.05485	21.2
93.07047	30.7
94.40459	1.7
95.04976	3.5
95.08614	29.7
97.06515	5.5
97.10149	3.3
98.98421	2.0
99.08105	9.6
104.10759	2.0
105.07034	40.5
107.08601	42.1
109.10165	18.5
111.08121	1.7
117.07015	6.3
119.08586	66.7
121.10147	31.4
123.08025	4.5
123.11679	5.2
124.99992	5.3
128.06200	1.8
129.07063	1.8
131.08566	39.3
133.10132	41.7
135.08055	2.4
135.11694	19.9
137.05917	2.5
137.13283	2.3
143.08546	3.9
145.09047	3.0
145.10126	40.3
147.11693	62.5
149.02316	1.7
149.13257	8.8
151.11183	1.7
157.10078	6.9
158.10907	2.3
159.11711	26.6
161.13271	14.2
163.11191	11.2
163.14786	6.7
169.10130	3.5
171.11658	6.8
172.12396	2.2
173.12068	1.7
173.13284	14.9
175.11192	2.6
175.14838	14.6
177.16422	19.9
179.14308	3.1
183.11613	2.3
184.07359	22.6
185.13226	6.1
187.14839	46.3
189.16393	45.6
191.14313	2.5
191.17967	5.2
199.14845	5.1
201.16386	100.0
202.16719	2.0
203.17920	5.0
205.15880	78.0
207.17426	16.7
213.16304	7.8
215.14217	3.1
215.17923	5.9
217.15942	3.1
217.19427	2.2
219.17488	14.5
223.16843	3.0
227.17953	3.7
229.19484	2.6
231.17426	4.7
241.19588	1.8
245.18982	2.6
259.21097	1.7
353.28342	8.0
365.28119	2.9
389.31979	6.1
407.33081	43.6
425.34155	37.4
435.32693	2.2
443.35046	6.2
453.33661	37.0
471.34705	9.5
489.27921	3.0
489.34811	7.5
490.27557	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3576
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.03949	4.2
55.01869	4.5
55.05513	52.5
56.96547	2.9
57.03421	2.1
57.07072	8.8
65.03937	2.7
67.05508	70.4
69.07071	53.4
71.04999	4.8
71.08643	9.5
77.53576	1.7
79.05499	38.0
81.03427	3.4
81.06583	4.6
81.07061	80.7
83.04981	7.3
83.08620	31.0
85.06540	4.9
91.05487	45.8
93.07052	46.1
95.04965	13.8
95.08614	48.6
97.06540	9.1
97.10165	20.3
99.08114	6.8
100.06003	1.8
105.07049	38.3
106.24789	1.9
107.04977	6.3
107.08605	29.2
109.06506	5.1
109.10173	24.1
111.08097	7.6
111.11744	8.6
115.05485	4.3
117.07007	17.0
119.08591	34.4
121.06525	7.5
121.10156	22.2
123.08088	3.9
123.11701	10.6
125.09631	5.7
129.07022	13.9
131.08583	30.4
133.06526	4.7
133.10132	29.1
135.08089	6.4
135.11723	15.9
137.09647	6.8
137.13275	6.4
139.11244	6.0
141.07048	3.1
142.07797	2.6
143.08565	18.2
143.10553	1.9
145.06511	2.9
145.10100	21.9
147.08081	3.5
147.11705	13.9
149.09660	3.4
149.13268	8.0
151.11192	9.4
151.14821	3.1
153.12724	3.4
155.08611	8.1
157.10144	10.2
159.08102	6.1
159.11653	10.8
161.09653	2.5
161.13287	10.0
163.11214	5.3
163.14819	2.4
165.12766	6.1
169.10168	7.4
171.11725	8.2
173.09720	2.8
173.13289	7.7
175.11134	2.2
175.14822	6.3
177.09148	1.9
177.12747	3.0
179.14380	3.5
181.10162	3.2
183.11725	6.4
185.13327	6.1
187.14853	8.7
189.16441	3.9
193.19516	2.0
195.12019	2.1
195.13824	2.5
197.13327	4.5
199.14859	8.0
201.12778	3.1
201.16362	2.7
211.14841	3.5
213.16487	3.7
217.19563	18.3
223.14859	2.7
225.16350	2.1
227.14334	2.2
227.18027	3.7
235.20561	10.4
261.22076	2.0
263.17783	2.1
264.74884	2.1
265.21725	5.4
269.10632	4.5
270.10886	3.1
277.21600	3.6
279.54886	2.3
327.23169	2.9
329.24677	3.5
333.24554	2.7
341.24734	2.2
351.18646	2.3
355.26437	5.7
369.19421	4.5
369.28119	2.3
373.27570	2.2
407.32813	3.0
417.31558	6.5
425.34311	8.8
435.32614	15.9
443.35205	5.4
453.33707	45.1
461.36365	6.4
471.34741	100.0
489.35852	66.7
509.44031	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	489.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01866	2.5
55.05512	13.0
56.96568	3.0
57.03433	4.0
57.07077	4.7
59.04983	0.9
59.13652	0.8
61.02929	4.3
65.03932	1.4
67.05505	24.6
69.03427	9.2
69.06724	1.6
69.07070	20.4
71.04993	4.7
71.08625	1.9
71.57072	1.3
73.02922	1.5
79.05497	13.8
81.03426	5.8
81.07058	47.7
83.04981	3.8
83.08610	8.9
84.08154	1.2
85.02908	15.6
85.06547	25.6
87.00834	3.6
91.03976	1.1
91.05479	8.2
93.07040	18.8
95.04965	7.7
95.08609	52.7
97.02903	6.8
97.06534	22.5
97.10171	6.9
98.97582	3.6
99.04455	3.4
99.08083	4.7
101.06000	1.1
105.01884	2.9
105.07040	9.0
107.08595	18.4
109.02884	3.6
109.06504	2.0
109.07185	0.9
109.10157	33.1
110.10547	1.0
111.08077	2.5
111.11719	2.8
113.09610	2.3
115.05406	1.4
117.06998	2.0
119.08588	11.3
121.06547	2.4
121.10156	13.1
122.07303	2.0
123.08041	3.5
123.11720	18.5
125.09635	2.3
125.13282	1.3
127.03940	6.7
127.11189	2.5
129.07013	2.6
130.07845	1.0
131.08582	3.1
133.06525	1.4
133.10147	7.5
135.08069	2.1
135.11696	11.8
137.05980	3.8
137.09628	14.8
137.13269	4.9
139.11185	2.1
141.07022	1.0
141.09138	1.1
143.08542	2.1
145.04929	2.7
145.10068	4.3
147.11708	5.2
149.05974	1.0
149.09627	3.7
149.13249	12.5
151.07582	1.5
151.11217	2.1
151.14807	2.2
153.06969	1.2
153.12720	1.0
157.10150	1.4
159.02942	1.5
159.08069	1.8
159.11705	3.0
161.09550	1.6
161.13258	3.2
163.03877	1.0
163.14839	7.7
165.09120	100.0
165.16374	1.3
167.08585	1.1
169.10176	1.3
171.08040	1.3
171.11736	1.5
173.06024	1.5
173.13231	2.0
175.11209	1.2
175.14896	2.0
176.10724	1.4
177.09164	1.5
177.16428	2.4
179.17867	1.5
181.06781	0.9
181.10205	0.9
183.11713	1.1
184.07341	1.1
185.06010	1.8
185.09555	1.8
187.09613	1.5
187.14824	2.0
189.09166	2.6
189.16371	1.4
191.07039	1.0
191.17911	2.2
195.08028	2.7
195.18610	3.1
197.05984	1.1
199.07617	1.1
201.09093	1.8
203.10675	2.5
203.14252	1.5
203.17987	2.4
205.12323	4.8
205.15974	1.1
205.19565	4.2
209.09714	1.2
211.07532	2.7
211.11302	1.0
213.05556	1.1
213.09140	3.8
215.06992	2.0
217.08549	1.1
217.19490	1.3
223.07657	0.9
223.13345	1.0
223.20486	4.7
225.09142	1.6
226.09950	1.8
231.10234	1.0
241.08626	2.0
241.12268	3.4
241.17955	8.6
241.21599	13.3
259.09720	2.4
259.22766	1.1
265.12292	2.7
271.19412	1.1
273.25800	4.1
279.26770	2.3
283.13251	2.9
291.16367	4.0
291.23758	1.3
291.26730	6.1
299.16452	2.0
307.22760	1.1
309.17444	30.8
309.27771	2.1
311.12747	4.2
311.16330	1.7
313.14365	3.9
325.24152	1.1
327.15137	1.5
327.18674	9.2
327.29001	1.1
337.14270	2.0
337.23657	2.8
350.19937	1.9
355.15411	10.5
425.30267	1.5
429.15491	1.0
443.31604	2.3
471.22583	0.9
471.31235	2.2
489.12729	1.6
489.23679	25.2
489.31985	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
54.16632	1.8
55.01872	5.8
55.05514	24.6
56.96576	2.1
57.03418	7.7
57.07083	10.5
61.02917	5.4
61.51604	2.5
64.65758	2.2
65.03927	4.0
67.05135	2.4
67.05505	46.8
69.03410	7.5
69.06740	4.0
69.07075	47.7
69.88424	12.7
71.04973	3.3
71.08620	3.8
71.93195	2.0
79.05488	31.3
81.03416	7.7
81.07062	99.6
83.04982	7.4
83.08622	19.3
85.02911	15.5
85.06535	10.7
86.09703	3.7
91.05482	16.2
93.07048	41.6
95.04980	12.9
95.08611	100.0
97.02870	4.0
97.06536	78.6
97.10178	16.0
99.08076	5.4
105.07025	19.5
105.53867	2.4
107.08599	39.9
109.02843	2.9
109.06532	4.9
109.09472	4.1
109.10164	56.0
111.08058	6.2
111.11732	12.1
117.07031	2.9
119.08604	22.3
121.06540	2.6
121.10145	26.7
123.11721	24.7
125.13283	5.0
127.03904	6.7
129.06998	4.2
131.00133	2.9
131.04977	2.6
131.08560	6.2
133.06526	2.9
133.10130	20.4
135.04391	2.1
135.11703	22.6
137.09601	6.4
137.13257	12.7
139.11229	3.2
143.08548	3.0
145.10068	7.2
147.11717	14.2
149.09523	3.6
149.13263	29.6
151.14838	6.4
155.10605	3.1
157.10156	4.4
158.99617	2.6
159.08022	3.6
159.11661	4.4
161.06006	5.4
161.13234	6.3
163.03928	4.6
163.14857	11.8
165.09045	3.9
165.16396	3.2
173.06093	3.2
173.13231	3.0
175.14807	6.7
177.16374	7.0
179.05811	14.1
180.06549	20.9
181.06822	7.7
183.11841	2.8
184.07309	6.9
185.09625	3.4
187.14893	4.9
189.16386	6.5
191.17976	3.7
195.08020	5.2
199.07535	6.4
201.09087	7.4
201.16335	4.5
203.18028	3.6
205.15833	5.5
205.19640	3.3
209.09554	3.4
211.07593	3.1
213.09103	7.6
215.07048	2.9
215.10677	6.0
217.19507	5.0
225.09201	2.8
229.14293	4.0
231.10188	2.5
241.08531	4.3
241.12221	3.9
243.98346	2.5
255.31714	2.2
259.09592	6.0
273.25760	12.8
275.19867	2.6
279.26840	10.1
283.13184	3.8
291.26816	17.6
297.14856	7.7
309.14780	5.7
309.27878	9.4
311.12747	10.1
311.16418	10.5
313.14325	14.2
324.11475	3.0
324.61731	3.6
325.11600	3.1
327.15900	10.3
337.14279	4.4
355.15436	24.4
399.97208	2.3
407.33408	2.8
489.17935	3.7
489.25934	13.0
490.27216	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	489.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.05496	0.8
56.96549	0.6
57.03434	0.7
61.02915	1.1
67.05499	1.9
69.03407	1.0
69.07049	1.1
70.06587	0.6
71.04996	0.3
71.56619	0.5
73.02900	0.7
79.05482	1.2
81.03409	1.0
81.07059	2.2
83.04985	0.5
83.08600	0.6
85.02900	1.8
85.06542	0.4
85.14199	0.3
91.03947	0.6
91.05476	1.6
93.07028	2.0
95.04965	1.1
95.08627	1.6
97.02886	1.3
97.06524	1.3
98.97590	1.4
99.04453	0.4
99.08092	0.4
101.90688	0.3
105.07016	1.5
107.04916	0.3
107.08593	1.3
109.02907	0.4
109.10160	1.6
111.04459	0.3
111.08066	0.4
112.99126	0.4
119.08554	1.8
121.06462	0.3
121.10128	0.7
123.00761	0.4
123.11680	0.8
124.03941	1.0
125.02355	0.7
127.03918	0.5
129.07030	0.4
131.08582	0.8
133.10110	0.8
135.08044	0.5
135.11700	0.6
137.05962	1.2
141.01852	0.4
143.08528	0.6
145.10085	0.8
147.11710	0.6
149.01172	0.3
149.13286	0.7
157.10136	0.5
158.99608	0.3
159.11783	0.4
163.07552	0.7
163.14835	0.4
165.09096	0.5
169.01283	0.9
173.13272	0.6
185.13235	0.5
191.14325	0.3
193.12169	0.3
199.14740	0.3
222.25444	0.3
241.12289	0.7
259.09924	0.4
271.08676	0.5
283.13528	0.6
289.09723	0.4
291.26712	0.4
311.12793	0.7
313.14496	0.4
317.08392	0.4
335.09320	0.4
355.15308	1.1
357.18805	7.7
360.83289	0.3
461.16638	0.4
471.30829	0.5
489.17239	4.9
489.23059	100.0
490.23062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01866	2.5
55.05512	13.0
56.96568	3.0
57.03433	4.0
57.07077	4.7
59.04983	0.9
59.13652	0.8
61.02929	4.3
65.03932	1.4
67.05505	24.6
69.03427	9.2
69.06724	1.6
69.07070	20.4
71.04993	4.7
71.08625	1.9
71.57072	1.3
73.02922	1.5
79.05497	13.8
81.03426	5.8
81.07058	47.7
83.04981	3.8
83.08610	8.9
84.08154	1.2
85.02908	15.6
85.06547	25.6
87.00834	3.6
91.03976	1.1
91.05479	8.2
93.07040	18.8
95.04965	7.7
95.08609	52.7
97.02903	6.8
97.06534	22.5
97.10171	6.9
98.97582	3.6
99.04455	3.4
99.08083	4.7
101.06000	1.1
105.01884	2.9
105.07040	9.0
107.08595	18.4
109.02884	3.6
109.06504	2.0
109.07185	0.9
109.10157	33.1
110.10547	1.0
111.08077	2.5
111.11719	2.8
113.09610	2.3
115.05406	1.4
117.06998	2.0
119.08588	11.3
121.06547	2.4
121.10156	13.1
122.07303	2.0
123.08041	3.5
123.11720	18.5
125.09635	2.3
125.13282	1.3
127.03940	6.7
127.11189	2.5
129.07013	2.6
130.07845	1.0
131.08582	3.1
133.06525	1.4
133.10147	7.5
135.08069	2.1
135.11696	11.8
137.05980	3.8
137.09628	14.8
137.13269	4.9
139.11185	2.1
141.07022	1.0
141.09138	1.1
143.08542	2.1
145.04929	2.7
145.10068	4.3
147.11708	5.2
149.05974	1.0
149.09627	3.7
149.13249	12.5
151.07582	1.5
151.11217	2.1
151.14807	2.2
153.06969	1.2
153.12720	1.0
157.10150	1.4
159.02942	1.5
159.08069	1.8
159.11705	3.0
161.09550	1.6
161.13258	3.2
163.03877	1.0
163.14839	7.7
165.09120	100.0
165.16374	1.3
167.08585	1.1
169.10176	1.3
171.08040	1.3
171.11736	1.5
173.06024	1.5
173.13231	2.0
175.11209	1.2
175.14896	2.0
176.10724	1.4
177.09164	1.5
177.16428	2.4
179.17867	1.5
181.06781	0.9
181.10205	0.9
183.11713	1.1
184.07341	1.1
185.06010	1.8
185.09555	1.8
187.09613	1.5
187.14824	2.0
189.09166	2.6
189.16371	1.4
191.07039	1.0
191.17911	2.2
195.08028	2.7
195.18610	3.1
197.05984	1.1
199.07617	1.1
201.09093	1.8
203.10675	2.5
203.14252	1.5
203.17987	2.4
205.12323	4.8
205.15974	1.1
205.19565	4.2
209.09714	1.2
211.07532	2.7
211.11302	1.0
213.05556	1.1
213.09140	3.8
215.06992	2.0
217.08549	1.1
217.19490	1.3
223.07657	0.9
223.13345	1.0
223.20486	4.7
225.09142	1.6
226.09950	1.8
231.10234	1.0
241.08626	2.0
241.12268	3.4
241.17955	8.6
241.21599	13.3
259.09720	2.4
259.22766	1.1
265.12292	2.7
271.19412	1.1
273.25800	4.1
279.26770	2.3
283.13251	2.9
291.16367	4.0
291.23758	1.3
291.26730	6.1
299.16452	2.0
307.22760	1.1
309.17444	30.8
309.27771	2.1
311.12747	4.2
311.16330	1.7
313.14365	3.9
325.24152	1.1
327.15137	1.5
327.18674	9.2
327.29001	1.1
337.14270	2.0
337.23657	2.8
350.19937	1.9
355.15411	10.5
425.30267	1.5
429.15491	1.0
443.31604	2.3
471.22583	0.9
471.31235	2.2
489.12729	1.6
489.23679	25.2
489.31985	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01505	3.5
53.03937	7.3
55.01867	4.3
55.05513	52.9
65.17634	3.7
67.05505	100.0
69.03416	6.2
69.07063	26.8
71.01363	4.1
71.04994	6.1
71.56774	3.5
73.02911	4.6
79.05495	35.6
81.03413	12.5
81.07057	58.3
82.11759	3.3
83.04973	10.3
83.08628	33.7
85.02906	29.4
85.06538	6.4
87.04444	15.4
88.02220	3.5
91.05479	27.2
93.07058	31.6
95.04972	8.2
95.08600	28.3
97.02879	6.7
97.06496	7.8
97.10171	41.9
105.07030	14.4
107.04930	3.4
107.08584	29.4
109.06546	4.8
109.10170	53.2
111.08083	9.3
117.07013	10.4
119.08572	12.7
121.10108	12.1
125.09631	45.4
131.08582	10.2
133.10129	14.8
134.44519	3.8
135.11694	18.2
137.09569	3.9
143.10672	9.9
145.10190	4.9
149.13246	29.1
153.12666	6.5
154.94177	7.5
155.10609	7.1
159.11719	20.7
163.11160	10.3
172.95226	6.2
173.11763	30.8
177.11369	4.2
177.12773	11.3
181.12386	3.8
191.10728	4.9
193.12241	7.0
195.13808	61.4
209.11749	16.3
211.13254	8.7
213.14853	15.5
227.12706	8.9
227.16467	15.2
229.98085	3.4
284.54639	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	488.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.9
55.01863	5.1
55.05518	61.5
55.44893	1.9
57.03431	4.5
57.07071	1.9
59.05001	4.9
65.03935	4.1
66.86818	1.9
67.05509	100.0
69.03419	5.5
69.07082	14.4
69.21808	16.0
69.22211	3.9
71.01348	4.1
71.04994	6.1
72.04506	2.6
72.24380	2.3
72.47705	1.9
73.02917	4.9
79.05494	33.0
80.99513	1.9
81.03423	19.1
81.07064	53.8
83.01353	3.6
83.04977	13.0
83.08623	33.6
85.02914	23.9
85.06544	4.6
87.04474	14.3
91.05482	24.7
93.07049	28.0
95.04977	8.5
95.08616	24.3
97.06534	9.9
97.10177	43.4
99.08109	2.4
103.03946	5.6
105.07061	12.2
107.04958	3.9
107.08613	23.3
109.06511	3.6
109.10166	66.8
111.04437	3.6
111.08117	9.6
113.06007	2.0
117.07021	6.6
119.08574	14.6
121.06458	3.3
121.10162	9.3
123.08113	3.1
123.11689	2.1
124.12057	1.8
125.08768	3.4
125.09643	56.0
129.06969	2.3
131.08583	9.5
133.10150	12.8
134.39322	1.8
135.08064	4.0
135.11716	13.3
137.09625	4.4
143.10686	11.7
145.10146	10.2
147.11705	4.6
149.09607	2.2
149.13268	12.9
153.12749	6.5
154.94165	2.4
155.10703	13.4
157.10117	3.0
157.12247	4.1
159.11690	11.8
163.11208	17.0
165.12729	2.2
172.95317	3.1
173.09630	3.9
173.11748	75.8
175.11237	3.8
177.12758	6.2
181.12253	6.1
187.13309	14.6
191.10652	6.8
193.12312	12.3
194.12991	2.4
195.13829	48.1
199.13185	3.1
209.11713	16.7
213.14911	9.3
216.66679	2.4
223.13376	2.7
225.14941	2.9
227.12839	11.8
227.16472	3.2
279.17542	2.0
363.59052	2.4
447.18005	3.3
465.29807	2.1
467.96246	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	487.342
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03941	5.6
55.05513	25.0
56.96552	13.1
57.03422	10.3
57.07068	11.8
57.39466	2.9
61.02928	25.2
66.89057	3.1
67.05507	45.2
69.03428	9.8
69.07068	34.1
71.04984	6.5
71.56624	5.5
72.08152	4.8
73.02895	7.1
79.05502	40.4
81.03415	6.8
81.06648	5.0
81.07060	63.9
83.04993	3.4
83.08618	16.0
85.02901	20.0
85.06541	5.3
86.09653	3.5
91.03938	12.7
91.05482	38.9
93.07046	75.9
95.04956	6.8
95.08612	97.0
97.02886	15.0
97.06542	23.5
97.10154	7.7
98.97571	4.9
99.04462	5.3
99.08085	6.4
103.05465	3.8
105.06396	5.2
105.07038	66.1
107.04959	5.0
107.08598	86.5
109.06503	8.3
109.10160	58.5
110.97656	4.4
111.08067	8.8
115.07556	18.6
117.07017	14.4
119.08583	100.0
121.06479	3.6
121.10152	65.5
123.08070	6.6
123.11732	22.3
125.09639	4.8
127.03942	5.5
128.98610	4.6
129.07016	10.4
131.08569	38.0
133.10133	69.9
134.98196	8.6
135.08031	7.5
135.11707	52.5
137.09560	3.7
137.13281	5.4
142.07787	6.3
143.08586	22.2
145.10124	51.0
147.08041	4.8
147.11697	50.8
149.09718	7.8
149.13243	30.3
151.07591	3.7
151.11156	3.8
155.08591	20.2
156.09354	6.4
157.10132	28.2
159.08105	5.2
159.11688	53.7
161.09647	7.4
161.13234	40.7
163.11229	4.6
163.14798	32.3
165.12726	6.4
169.10114	14.6
171.11699	30.6
173.09576	3.2
173.13257	41.8
175.11159	8.9
175.14816	22.5
177.12744	9.2
177.16306	4.6
179.10510	4.0
179.14326	8.9
181.10027	5.0
183.11668	18.1
184.07343	8.3
185.13280	39.5
187.14822	32.6
189.12672	9.3
189.16373	43.4
191.14270	11.0
191.17952	85.0
193.12209	3.8
197.13171	16.2
199.14827	28.1
201.12743	12.1
201.16383	30.3
203.10735	3.2
203.14331	13.3
203.17973	24.4
205.12372	4.4
205.15907	5.8
205.19452	4.4
207.11800	3.7
207.13800	5.4
207.17415	12.8
211.14853	6.6
213.16418	8.9
215.14256	25.3
215.17915	10.7
217.15929	11.2
217.19513	12.9
219.13814	7.4
221.15372	4.9
225.16385	7.3
227.17963	5.8
229.15775	5.2
231.13815	9.6
233.15376	6.5
235.13200	7.0
237.16362	4.8
243.09052	3.4
243.13794	9.3
243.17542	4.3
245.15359	5.0
245.22729	4.1
253.14255	25.0
255.09117	4.5
257.10641	3.3
257.18973	4.7
259.20569	4.2
261.14847	14.8
267.09018	5.4
269.10629	12.0
271.96674	3.3
279.15936	20.7
283.12311	6.2
285.10120	5.9
301.13177	10.7
316.11627	9.9
319.19226	4.3
349.16745	13.9
367.17889	4.2
387.30148	4.0
405.31509	22.3
407.33044	6.2
423.32535	27.0
433.31201	21.0
441.33932	21.2
451.32062	67.2
469.23315	31.6
469.33188	56.1
482.78119	4.0
487.34308	94.3
490.27975	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	487.3417
Annotation	Sandorinic acid B
Peak:m/z	Relative Intensity
53.03946	3.8
55.01875	5.7
55.05264	2.6
55.05512	27.6
57.03421	3.4
65.03929	4.9
67.05174	2.9
67.05509	48.2
68.06699	1.9
69.03426	3.9
69.07069	19.5
71.04993	3.3
71.17102	3.2
77.88407	1.7
79.05494	34.1
81.03424	2.7
81.06583	3.5
81.07057	60.8
83.04972	6.2
83.08611	11.6
85.02920	3.3
85.06568	3.5
91.05480	39.8
93.07047	34.4
93.38309	1.7
95.04973	7.9
95.08605	34.2
97.06532	5.4
97.10181	4.9
99.08116	2.8
99.62333	1.6
105.07034	52.5
107.04971	7.4
107.08587	22.8
109.06503	5.7
109.10142	15.5
111.08074	3.4
117.06997	17.6
119.08581	43.7
121.06528	3.6
121.10143	17.9
123.08060	5.2
123.11766	8.9
123.12496	1.8
125.09631	2.2
127.07448	1.8
128.06201	3.2
129.06992	15.4
131.08575	27.0
133.06509	2.9
133.10138	35.2
135.08037	5.2
135.11691	10.5
139.32835	1.7
141.07010	5.0
142.07794	4.0
143.08556	18.9
144.74606	1.8
145.06497	3.8
145.10109	25.0
147.08005	4.4
147.11699	26.9
149.09627	6.3
149.13307	5.9
155.08510	9.6
156.09352	2.8
157.10112	15.0
159.11679	15.1
161.09615	6.4
161.13239	4.8
163.11191	3.6
165.12770	7.6
167.08580	3.1
169.10181	9.5
171.11661	15.1
173.09674	2.6
173.13321	7.0
175.11234	2.2
175.14769	5.7
177.12703	2.5
179.08575	2.5
181.10196	4.0
183.11653	11.6
185.09673	2.2
185.13274	8.7
187.11235	2.3
187.14847	7.1
189.12781	2.6
189.16412	3.6
195.11705	3.9
197.13351	7.6
199.11148	2.2
199.14896	4.3
201.12692	2.0
207.13919	2.2
209.13295	6.1
211.14854	4.6
213.12798	2.0
213.16428	4.3
223.14963	2.0
233.15456	2.2
237.16368	2.2
239.18071	2.2
257.19034	2.2
259.20593	3.5
263.16522	1.8
263.20157	2.0
275.20084	42.4
279.21173	1.9
285.10092	2.6
285.18430	2.2
291.19589	2.1
292.18167	2.5
293.18930	2.5
299.20175	2.1
301.21637	2.6
303.19641	2.1
317.21237	2.5
321.22293	2.0
325.21823	2.9
327.23004	3.9
351.23346	2.3
355.93970	1.9
405.31616	2.4
415.29922	3.1
419.28131	2.3
423.32913	4.8
433.31033	13.5
441.33768	9.1
451.32037	24.1
459.34958	4.3
469.33118	50.8
487.34290	100.0
488.34302	2.3
490.28177	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.342
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
51.69041	1.7
53.03940	5.4
55.01865	7.5
55.05513	29.6
56.96561	3.1
57.03439	2.2
57.07075	3.7
58.86329	2.0
67.05510	53.7
69.03423	3.3
69.07072	25.0
69.21241	20.0
71.04990	5.9
71.99612	1.9
77.03946	2.4
79.05499	40.0
81.03410	3.4
81.07059	70.2
83.04984	6.6
83.08620	15.2
85.02907	2.8
85.06546	2.6
91.05484	44.7
93.07043	36.8
95.04977	8.9
95.08604	36.4
97.02911	2.3
97.06515	6.0
97.10171	5.3
98.21471	3.8
99.08099	2.3
105.07036	54.6
107.04949	8.6
107.08599	24.0
107.94593	2.4
109.06520	7.9
109.10157	17.5
111.08086	4.6
115.05452	2.7
117.07030	16.8
119.08588	40.2
121.06494	6.2
121.10130	15.4
121.48581	2.0
123.08076	4.5
123.11696	10.9
125.09605	3.7
127.07616	2.4
128.06248	4.6
129.07021	20.6
131.08572	27.8
133.06509	6.0
133.10141	26.1
135.08083	3.9
135.11697	7.7
137.09573	4.3
137.19012	1.9
141.06999	7.4
142.07799	3.0
143.08604	22.6
145.06461	3.0
145.10133	26.1
147.08102	3.5
147.11707	33.6
149.09607	7.3
149.13264	3.0
151.11124	2.8
155.08575	14.9
156.09344	2.3
157.10136	22.4
159.08022	3.9
159.11699	18.3
161.09648	6.0
161.13258	4.4
163.11218	4.2
165.12753	19.9
167.08617	3.2
169.10149	16.1
171.08054	2.5
171.11679	13.6
173.09634	3.5
173.13263	7.3
175.11174	2.9
175.14807	2.1
177.12822	3.0
181.10126	7.1
183.11702	11.7
183.13670	2.4
185.13260	8.3
187.11237	3.3
187.14859	3.3
193.10124	2.2
195.11766	7.4
197.13211	9.8
199.14854	6.7
207.11708	2.7
209.13284	8.4
211.14868	4.7
223.14853	3.8
229.14243	3.2
237.16379	2.6
251.20120	3.5
255.17348	2.6
259.20456	3.9
261.18658	2.5
263.20181	3.9
267.09036	2.8
269.10669	3.0
271.16931	2.4
275.20105	13.0
277.21771	2.0
285.10129	5.7
285.18558	3.4
291.19595	6.5
299.19934	3.5
303.19666	2.6
309.22321	2.7
313.21729	5.7
315.23151	4.5
321.22119	3.0
331.22568	2.7
339.06390	2.0
357.24548	2.5
415.30042	4.4
419.27911	3.8
423.32840	2.8
433.31042	20.8
443.31656	3.0
451.32120	31.5
459.35068	4.7
469.22949	6.1
469.33170	72.9
487.34198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
54.25453	2.0
55.01875	4.7
55.05509	19.7
56.96559	3.6
57.03425	10.8
57.07090	11.4
58.10631	2.7
61.02919	10.0
63.39592	2.6
65.03928	4.9
67.05503	46.2
69.03425	16.8
69.06725	4.1
69.07072	43.2
69.77089	13.0
70.06599	4.5
71.04990	8.0
71.08636	6.4
71.46158	2.3
73.02910	4.6
79.05502	30.5
81.03419	22.0
81.06583	5.2
81.07060	98.9
83.04973	14.2
83.08616	15.7
84.08147	5.8
85.02914	36.1
85.06543	23.5
85.10170	3.0
86.09737	2.9
91.03957	5.8
91.05482	25.9
93.07050	50.6
95.04367	5.0
95.04971	100.0
95.08608	69.9
95.24507	2.6
97.02887	16.7
97.06536	35.8
97.10183	12.9
98.97574	6.6
99.04449	4.9
99.08073	12.8
105.07030	42.9
107.04971	4.6
107.08601	51.0
109.02896	5.2
109.06519	11.3
109.10149	43.5
111.04446	2.8
111.08070	8.6
111.11749	3.4
113.05975	6.9
115.05410	3.3
117.07012	9.7
119.08587	34.5
119.79280	2.6
121.06518	8.3
121.10146	28.2
123.08105	5.0
123.11712	23.1
125.09622	6.4
127.03886	7.9
127.11180	4.0
129.06976	4.4
131.08568	15.5
133.10141	26.8
135.08044	13.9
135.11696	21.2
137.06013	4.1
137.09619	7.2
137.13263	8.4
139.11215	3.4
143.08531	7.2
145.04987	3.2
145.10144	22.2
147.08038	3.4
147.11699	20.5
149.09676	6.3
149.13223	13.0
151.11230	4.2
151.14801	5.7
153.09111	3.7
157.10130	7.1
158.99765	2.9
159.11684	17.7
161.05945	3.4
161.09641	3.1
161.13229	14.3
163.11211	8.6
163.14912	12.6
165.09099	22.4
165.12772	7.3
171.11757	5.3
173.13248	15.5
175.14816	8.6
177.12805	5.6
177.16362	8.8
183.11678	5.1
185.13216	5.4
187.07622	3.5
187.14836	7.6
189.16429	3.3
191.14441	3.4
197.13464	5.1
199.14830	4.4
201.12582	3.1
201.16373	7.6
203.14362	4.2
203.18071	7.3
205.12201	3.2
205.15996	3.5
211.07495	2.8
215.07018	3.1
215.17989	8.1
221.15472	3.4
221.19069	3.9
229.19540	2.6
233.18958	3.2
239.16309	2.5
239.20061	4.7
259.09695	4.4
271.24213	6.5
277.25317	2.8
281.11560	2.7
289.25241	31.9
307.26343	50.2
309.11090	3.1
325.14331	8.2
325.27429	9.0
331.18869	4.2
353.13751	11.7
399.25220	6.4
399.54431	2.7
469.29501	8.9
487.15509	5.2
487.21616	7.9
487.31439	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
55.05511	2.1
56.96564	13.5
57.03442	3.0
59.05005	1.8
61.02932	3.8
67.05504	4.4
69.03429	9.4
69.07078	4.8
70.06606	2.4
70.93579	1.3
71.10955	1.3
71.56431	2.4
73.02901	7.7
77.89437	1.1
79.05490	4.0
79.29044	1.3
79.53254	1.5
81.03431	3.7
81.07063	7.5
83.05003	1.9
84.08154	2.0
85.02910	29.2
86.09724	2.3
87.05581	1.5
90.31687	1.3
91.03977	1.7
91.05517	4.6
93.07055	5.3
95.05019	2.6
95.08606	9.8
97.02897	14.6
97.06526	3.4
98.97593	8.4
99.04469	2.1
103.05470	1.4
105.07024	8.2
107.04999	2.2
107.08658	4.3
109.02886	2.8
109.06542	2.0
109.10188	6.6
110.32197	1.4
110.97603	2.3
115.03949	3.0
116.98679	1.8
117.07032	3.4
119.08586	20.8
120.08102	31.2
121.10170	4.1
123.04506	1.4
125.06024	1.7
127.03930	6.6
128.98549	1.8
131.08609	3.7
133.04984	3.8
133.10149	16.6
135.08072	1.6
135.11734	3.7
136.41765	1.4
137.06013	4.5
137.09668	3.0
144.08089	2.1
145.04996	7.1
145.10222	4.5
147.11707	7.5
155.03854	1.6
157.10194	4.2
159.11740	2.3
161.13348	1.6
162.09236	1.7
163.06107	2.3
171.03383	1.9
173.04916	5.6
173.13316	2.9
175.14833	60.6
179.08559	1.6
191.05905	1.9
193.15887	25.8
201.16510	1.8
205.07404	2.0
207.11375	8.8
219.07024	1.7
221.08449	8.4
221.15463	1.6
221.19002	2.0
223.10063	2.0
223.17110	2.1
227.09596	2.5
235.10829	5.1
235.16911	1.7
237.02739	2.4
239.09578	16.3
241.07318	2.2
241.11232	3.7
253.11958	5.3
257.10791	4.5
263.16269	6.4
267.09207	3.0
293.18979	1.6
307.19284	2.4
311.20218	4.6
319.19284	2.4
325.16339	13.7
329.21216	2.2
335.09702	7.0
337.16928	3.8
337.20407	2.8
355.17557	2.3
355.21307	13.0
365.16260	1.7
383.17273	8.3
399.20691	3.9
401.18466	36.1
415.20325	2.3
427.16699	4.5
445.17358	1.9
487.21515	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73144	1.9
53.03933	5.6
55.01859	8.4
55.05512	20.4
56.96560	3.9
57.03420	7.7
57.07065	5.4
57.36576	1.7
61.02905	5.5
62.63563	1.9
65.03909	3.5
67.05505	24.5
67.96095	1.6
68.99776	2.2
69.03432	27.9
69.07069	30.0
69.20114	1.6
69.63438	12.8
71.04995	21.0
71.86096	1.9
73.02892	5.9
73.06519	2.1
79.05070	2.3
79.05488	28.6
81.03420	18.7
81.07059	100.0
83.04951	4.3
83.08619	17.1
85.02908	50.5
85.06528	4.9
87.00825	22.2
87.83755	1.7
91.03957	3.0
91.05067	1.6
91.05489	20.1
93.06483	3.2
93.07046	50.9
95.04955	5.7
95.08606	57.2
97.02904	23.2
97.06522	16.7
97.10162	7.4
98.06699	1.7
98.97580	13.2
99.04431	5.5
99.08086	6.9
105.01868	15.2
105.07032	50.9
107.08597	61.9
109.02231	2.1
109.02864	12.4
109.06524	4.7
109.10163	49.3
110.97527	5.2
111.04439	1.8
111.07999	2.5
111.11739	4.8
112.99072	2.5
113.09709	2.6
115.03924	5.0
116.98627	4.6
117.06988	4.1
119.08587	64.8
121.06515	3.3
121.10143	28.0
123.08020	3.7
123.11710	30.2
125.09615	5.8
125.13284	2.5
127.03917	24.9
127.11174	15.9
128.98627	4.7
129.07005	2.1
131.08551	6.8
133.10141	41.3
134.19980	1.8
135.08086	3.4
135.11700	73.9
137.05991	1.8
137.13235	8.0
139.11131	2.9
143.00142	3.0
143.08542	5.6
143.10669	9.7
145.04971	13.7
145.10132	9.4
147.11678	32.3
149.13263	19.3
153.12758	6.2
155.08539	2.3
157.10097	6.8
158.99684	2.5
159.02881	6.5
159.11702	9.4
161.09657	2.0
161.13257	15.7
163.14835	5.0
165.09097	3.7
169.10094	4.0
170.99649	6.3
171.11678	6.2
173.13271	3.1
175.11189	3.3
175.14796	5.6
177.12778	2.5
177.16345	3.0
185.13274	3.7
187.07584	2.3
187.14842	3.9
189.00739	3.0
189.12778	2.8
189.16386	2.4
201.03835	2.9
201.12628	2.0
201.16354	2.4
203.16037	3.0
203.17955	59.6
205.19547	9.9
213.16415	2.7
215.18018	2.8
221.19005	36.3
229.08662	2.6
231.01801	3.9
231.04849	3.5
239.20100	2.7
245.19005	3.7
249.02797	5.6
291.03790	6.9
307.26221	10.5
311.19974	3.7
325.27341	12.8
329.21045	4.2
349.05191	4.2
353.13779	5.0
367.14352	3.6
433.22055	3.1
451.23154	3.8
487.20032	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.0
54.16373	1.4
54.77560	1.7
55.01873	8.8
55.05511	9.8
57.03422	5.8
57.07072	2.1
60.64176	1.6
61.02900	3.6
67.05505	31.7
68.99798	1.7
69.03430	18.1
69.07068	14.5
70.15414	7.1
71.04996	12.8
73.02898	3.0
79.05498	11.0
81.03420	20.9
81.06586	2.8
81.07059	46.8
83.04949	3.0
83.08620	7.1
85.02905	51.4
85.06548	71.1
87.00827	21.1
87.08118	1.7
91.05480	13.0
93.07047	36.3
95.04948	3.7
95.08611	100.0
97.02901	17.0
97.06538	13.5
97.10149	5.6
99.04446	7.1
99.08108	13.0
105.01874	13.4
105.07035	35.3
107.08604	42.0
109.02866	13.9
109.06499	2.1
109.10155	42.6
111.08069	5.8
111.47964	1.7
113.09637	6.7
117.07025	3.6
119.08586	52.4
121.10149	63.8
123.08134	2.0
123.11720	19.0
125.06063	1.8
125.09641	7.4
127.03925	23.5
127.11190	18.7
129.06985	2.7
131.08577	9.0
133.06483	1.8
133.10146	23.5
135.08032	4.0
135.11700	18.9
137.09645	3.0
137.13232	5.0
139.11188	4.7
143.08560	4.1
145.04942	7.1
145.10132	11.8
145.14178	1.6
147.11684	31.3
149.13240	7.0
153.12685	2.0
157.10089	4.7
159.02885	6.3
159.11697	7.4
161.09564	2.6
161.13271	16.4
163.14828	23.2
163.94478	1.7
164.93204	2.0
165.09181	1.7
165.12753	4.0
169.10188	2.2
171.11729	3.8
173.13239	5.5
175.14832	14.4
177.16373	12.1
181.15845	2.0
183.11699	2.2
185.13258	4.7
187.14818	8.9
189.16379	2.0
191.14345	3.4
197.13219	2.5
199.14809	5.6
201.16400	6.0
203.17957	57.1
205.19495	1.8
210.05728	1.8
211.14833	2.6
213.16388	1.8
214.17986	2.3
215.18292	2.2
217.15807	2.5
219.17403	3.7
221.15378	2.1
221.19002	35.4
231.05019	3.0
233.19014	2.3
239.20082	20.7
251.20277	2.0
253.15953	2.1
311.20193	2.1
405.31650	5.0
423.32596	4.8
433.21936	4.6
433.30780	3.9
469.32672	2.4
469.51416	1.7
487.19247	2.6
487.33850	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	487.2157
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
55.05485	0.2
67.05500	0.3
69.03440	0.3
70.50064	0.7
74.35538	0.2
79.05489	0.5
81.07047	0.6
85.02906	0.4
91.05450	0.2
93.07030	0.4
95.08630	0.7
97.06544	0.3
105.07040	0.5
107.08590	0.7
109.10172	0.5
119.08572	0.3
123.11719	0.2
133.03456	0.3
133.10132	0.3
135.11745	0.4
143.01913	0.2
145.10178	0.3
155.05559	0.2
173.06810	0.3
173.65015	0.2
185.04187	0.4
187.04529	0.3
203.18114	0.3
225.13339	0.5
233.10358	0.3
235.96590	0.2
243.14404	0.4
251.11232	2.3
269.12357	2.5
269.14902	0.3
277.08829	0.3
281.17337	0.3
287.13467	1.1
307.26108	0.2
325.15729	2.6
327.80750	0.2
335.53784	0.2
443.22565	5.3
469.19305	0.6
487.21484	100.0
488.21570	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22419	0.5
53.03942	0.9
55.05498	1.5
56.96561	22.6
57.03433	1.5
61.02924	3.1
67.05474	2.4
69.03411	0.9
69.07037	2.2
71.45481	1.3
71.95248	1.9
73.02911	1.4
79.05492	3.7
80.98114	0.6
81.03397	1.0
81.07052	3.0
84.96012	1.0
85.02911	2.9
88.11617	0.5
91.03941	0.9
91.05458	2.5
93.07043	3.4
95.08570	2.2
97.02860	2.5
97.06525	1.4
97.10099	0.6
98.97562	1.2
105.00159	1.3
105.07013	2.0
107.08575	2.3
109.10167	0.9
110.97536	1.3
112.99074	0.7
119.01704	0.6
119.08549	1.8
121.10172	0.7
123.01176	1.4
127.03925	0.7
128.98552	0.9
131.00134	1.2
131.08528	0.9
133.10095	1.8
135.11684	1.0
137.02669	1.2
139.00659	2.9
140.64063	0.6
143.00218	0.6
143.08620	0.5
145.10106	1.1
147.11697	1.2
151.00656	2.4
153.02226	7.9
154.94048	0.7
155.00085	0.6
155.03827	1.2
155.08530	0.8
157.01721	1.7
161.13254	1.0
167.03795	2.7
169.01637	1.4
171.03297	8.3
171.11583	0.7
173.04892	1.0
173.13441	0.7
175.14836	0.7
177.02292	0.9
181.01750	0.7
181.05466	2.8
183.03331	1.1
185.04836	7.2
185.13307	0.7
189.04327	1.9
193.05330	0.7
197.04825	1.8
199.06386	5.6
203.05861	4.7
207.06975	1.3
209.08507	0.9
215.05833	0.8
217.05544	1.0
217.07469	4.0
219.10651	1.0
221.08478	1.0
222.03072	0.6
223.06461	0.9
225.07962	2.5
226.07564	0.6
227.09566	0.9
228.82091	0.6
229.08763	1.5
232.13559	0.6
233.08493	1.4
233.10751	0.6
235.10025	2.6
237.07965	2.1
239.05888	0.7
239.09602	0.7
243.09065	2.0
245.08411	2.0
247.08595	0.8
251.09500	4.0
253.11040	1.8
255.08963	1.2
259.20425	0.7
263.09485	17.0
263.12015	1.2
265.12704	0.9
265.92484	0.6
267.09250	1.0
269.10590	1.7
281.10602	100.0
282.10922	1.3
283.08609	0.8
293.63538	0.7
299.11655	44.6
301.09549	0.8
304.12234	11.5
304.15665	0.9
316.11340	0.9
322.13162	2.5
323.10596	1.0
325.14459	4.9
349.16650	1.4
353.13889	1.4
367.17877	2.4
368.18423	0.9
374.66061	1.7
375.16162	0.9
397.19955	1.8
405.31470	1.0
416.24200	0.8
486.72916	0.9
487.23676	48.5
488.24268	1.2
490.28137	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86416	0.4
55.84631	0.4
56.96567	0.8
67.05499	0.5
69.63263	2.9
70.06592	0.5
81.07035	0.5
83.86309	0.4
85.02893	0.5
97.02885	0.8
97.40222	0.5
98.97607	0.6
99.17208	0.4
107.08606	0.5
110.97660	0.5
155.03113	0.5
201.03831	1.2
203.05313	0.9
209.16937	0.4
238.14542	0.4
239.09749	0.6
241.11183	0.4
275.07498	0.8
325.07306	0.6
329.50638	0.5
333.07932	33.3
335.09500	14.5
401.18451	1.7
403.15814	1.1
407.53455	0.5
487.21524	100.0
488.21875	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2154
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
53.03945	0.3
57.03439	0.4
67.05488	0.3
69.03428	0.6
70.06590	0.3
70.95174	0.4
70.95501	0.2
71.05002	0.4
71.12146	0.2
71.82871	0.2
73.02908	0.3
74.33945	0.3
81.03429	0.3
81.07054	0.6
85.02899	0.9
86.09700	0.9
90.02527	0.2
91.05492	0.6
93.07021	0.4
97.02892	0.5
97.06542	0.4
98.97593	0.6
100.51634	0.2
105.07037	0.3
107.08592	0.6
109.10156	0.3
111.04435	0.3
119.08562	0.4
121.10149	0.5
131.08569	0.3
133.10156	0.5
137.05974	0.5
137.09573	0.3
143.08487	0.3
151.03954	0.6
161.56447	0.3
175.14854	1.1
182.50690	0.2
185.04228	0.3
193.15927	0.6
221.11812	0.5
239.12865	0.5
251.11145	0.5
259.08069	0.4
269.12378	1.3
325.16229	2.2
333.07968	0.7
335.09503	7.3
469.20065	0.4
487.21530	100.0
488.21835	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95826	0.3
56.96560	1.8
70.72585	0.7
70.72952	0.7
81.07050	0.7
85.02889	0.7
86.09713	0.4
97.02910	0.4
97.06523	0.3
98.97588	1.1
104.10757	0.4
105.07106	0.4
120.08127	1.7
131.08562	0.3
131.83427	0.3
137.05977	0.6
155.03836	0.3
173.04868	1.2
187.06439	0.6
190.05052	0.5
191.05975	0.6
203.05356	1.1
205.07411	0.5
218.17255	0.4
221.08546	1.4
227.09438	0.6
237.03030	0.4
239.09499	3.0
241.11163	0.7
257.10623	0.4
259.07962	0.9
267.09161	0.6
269.12408	1.2
293.12204	0.4
325.16260	2.7
333.07846	0.7
335.09528	3.2
337.16803	0.8
365.16458	0.5
383.17426	1.5
399.20331	0.9
401.18460	7.2
415.20285	0.5
427.16296	0.6
469.19781	0.4
484.60294	0.4
487.21518	100.0
488.21872	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76443	0.5
53.03952	0.8
55.01873	0.9
55.05505	1.7
56.96563	0.7
57.03445	1.5
61.02924	0.7
67.05495	3.6
69.03436	1.7
69.07056	2.5
70.32751	1.9
71.04989	0.7
79.05496	3.7
81.03416	1.5
81.07056	4.5
83.08618	1.1
85.02905	3.7
87.00826	0.8
91.05482	3.4
93.07053	3.4
95.04942	0.9
95.08612	3.0
97.02889	1.6
97.06527	3.9
97.10176	0.8
98.97578	0.8
99.04442	0.8
105.01837	0.9
105.07027	3.8
107.04971	1.3
107.08592	3.3
109.02876	0.9
109.10170	2.5
112.76898	0.5
112.99132	0.8
117.07027	1.4
119.08556	4.1
121.10141	2.5
123.11671	0.8
127.03938	1.4
129.07011	0.6
131.00172	0.6
131.08551	2.9
133.10129	2.4
135.11710	0.8
137.13242	1.0
142.47440	0.5
142.71335	0.5
145.10158	1.8
147.11708	1.8
149.13306	1.2
155.08582	0.7
157.10132	0.7
159.02969	0.6
159.11716	1.3
161.13213	0.7
162.79128	0.6
163.14891	1.1
169.10083	0.6
171.11711	1.1
173.13257	1.0
175.14850	1.4
183.11711	0.7
184.07329	0.7
185.04286	0.7
185.13188	0.7
187.14795	0.8
189.06003	0.8
189.11324	0.6
197.13239	0.6
201.16528	0.8
203.18002	2.0
217.15909	0.6
221.18959	3.8
233.15369	1.9
239.16150	1.3
239.20135	0.8
247.32498	0.5
251.07309	1.4
269.08417	1.8
269.44092	0.6
275.19797	0.6
281.20880	0.5
293.13245	0.8
306.77075	0.6
307.18988	7.4
313.16238	2.4
325.11072	1.1
325.14438	1.7
353.13971	2.1
355.17297	4.0
399.16104	3.2
401.21524	4.1
423.32449	0.6
441.33838	1.3
443.22485	14.0
451.32745	0.5
452.76712	0.6
464.73187	0.6
469.32907	1.1
487.21555	100.0
488.21820	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96299	0.8
56.96568	13.1
61.02911	0.8
67.05495	1.1
69.03414	0.9
69.07057	0.8
70.06582	1.8
70.75996	0.6
71.02657	0.6
71.56357	0.7
71.95245	1.9
79.05484	1.1
81.03422	0.8
81.07059	0.9
83.04981	1.6
84.96028	0.5
85.02903	1.8
86.09705	2.3
91.05488	0.7
95.04988	1.1
95.08612	0.8
97.02856	1.0
97.06538	1.6
98.97588	100.0
105.07036	1.0
107.08594	1.0
115.00711	0.8
115.08643	0.6
116.98626	29.6
116.99463	1.4
121.10149	0.6
122.27663	0.6
124.03945	0.6
127.03895	0.8
128.98631	0.9
133.10075	0.9
134.99678	6.4
137.05966	1.3
140.00212	2.1
141.02255	1.7
149.09644	0.8
153.00839	0.6
155.03783	1.9
158.99655	19.8
159.03291	1.0
167.03912	0.7
173.04791	1.1
177.00726	12.9
181.05417	1.0
199.06430	1.3
200.02377	1.1
217.90733	0.7
219.01773	3.7
221.08743	0.6
221.39798	0.6
224.03629	2.1
225.07906	1.1
233.11754	1.0
237.02940	1.1
242.04570	0.9
247.10008	7.3
250.14473	1.2
265.11115	48.3
269.12381	0.9
283.12183	16.7
288.12775	1.9
305.10516	0.8
307.12161	60.2
308.12479	1.0
325.13217	31.4
348.14966	2.7
367.14325	17.6
427.16437	19.7
428.17911	0.6
445.17477	9.7
468.19620	0.7
469.20990	0.8
487.19266	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	487.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93291	0.9
53.03930	1.7
55.01870	1.6
56.95923	0.8
57.03423	3.3
59.94987	0.8
60.08146	1.4
67.05501	1.4
69.03430	14.3
69.56139	5.2
70.06578	2.6
71.04983	4.2
71.07385	1.2
72.08138	0.9
76.47845	0.9
81.03416	16.1
81.07035	1.0
81.60496	0.8
84.08160	1.1
85.02887	4.2
86.09689	5.0
87.10016	1.2
91.05468	0.9
97.02888	2.0
98.97591	1.4
99.04446	6.6
100.33303	0.9
104.10752	5.4
105.11083	1.3
116.98558	1.2
117.05454	2.3
118.06506	2.3
124.07587	1.1
124.99996	4.1
129.10190	0.8
131.04890	1.0
137.05957	1.0
142.17149	0.9
145.07579	2.9
147.09201	5.2
148.72227	0.8
158.32109	0.8
158.99619	1.0
162.07848	1.0
163.08716	1.6
173.07103	7.7
175.08708	6.6
184.07344	13.7
185.07718	4.7
191.08154	100.0
205.09639	1.6
219.25191	0.9
224.61958	0.8
231.11357	1.1
289.11795	1.4
307.12872	31.3
324.10367	0.9
325.13931	83.1
355.08179	1.2
451.22949	4.0
469.09692	1.0
487.11548	1.8
512.43915	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3604
Annotation	Fomlactone B
Peak:m/z	Relative Intensity
51.03536	0.4
57.07070	0.6
63.52174	0.4
71.08619	0.5
71.51545	0.4
71.56183	0.7
81.07054	0.6
87.72083	0.5
88.07640	0.5
98.20777	0.5
105.07000	0.4
143.01407	0.5
206.72404	0.5
212.52449	0.4
271.42322	0.4
284.26367	0.6
371.59921	0.5
485.36057	100.0
485.47571	3.2
486.36475	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64014	0.6
56.96566	18.1
61.02918	0.6
65.03938	1.9
67.05508	2.7
69.03407	0.9
69.07066	0.9
70.06593	0.6
70.27744	0.5
71.04998	2.2
71.55920	1.3
71.95265	1.2
72.08147	0.5
73.02901	0.8
75.91396	0.5
81.07050	1.8
84.96022	4.0
85.02908	2.2
85.06531	0.6
86.09696	1.4
91.05476	1.0
93.07059	1.3
95.04971	81.6
95.08591	0.8
97.02895	0.8
97.06557	0.9
98.97587	57.0
99.04471	4.9
104.10742	1.4
105.06998	1.3
107.08599	2.4
109.02869	0.5
109.06508	1.5
109.10164	0.7
110.97565	7.5
111.08109	0.9
112.99131	1.9
115.00737	1.4
116.98619	20.9
119.08576	0.8
121.10159	0.9
124.99120	1.8
127.00673	2.0
128.98605	5.6
131.00192	1.4
133.10130	2.6
134.99686	3.6
135.08087	0.7
140.00186	1.3
140.98621	0.8
141.02225	1.8
143.00127	3.4
145.01756	0.9
146.99655	1.2
151.03963	0.7
153.09105	4.5
155.03760	1.0
157.01767	0.8
158.99661	18.5
159.03293	1.4
161.01231	1.4
170.99756	1.0
173.13258	0.6
175.14862	1.1
177.00716	15.7
177.05930	0.9
181.05374	0.6
183.03398	1.0
184.07344	1.6
185.07687	0.9
189.00742	1.2
195.06938	3.3
197.04956	1.2
199.06473	1.8
200.02429	0.6
201.00687	0.9
203.07414	0.8
205.05385	0.8
209.04794	0.8
213.07973	3.6
215.05949	0.6
219.01744	13.2
219.03636	0.9
221.08508	5.1
222.87486	0.6
223.06418	1.1
227.05872	0.5
237.02800	11.5
237.08083	1.1
239.09561	9.5
241.07327	1.0
247.10030	3.4
251.09555	0.7
255.09207	0.6
257.10706	3.1
263.09515	2.7
265.11124	12.4
269.10690	0.6
279.03833	1.9
279.09003	0.9
281.10699	4.6
283.12180	11.8
289.11044	3.9
299.11679	1.6
301.13226	6.6
307.12167	12.9
307.88394	0.6
311.11703	0.9
325.07047	0.9
325.13214	13.3
329.12747	1.1
337.07205	1.6
337.13269	1.3
343.14297	3.2
355.08160	6.0
355.14423	1.1
367.08331	3.4
367.14307	5.6
381.09750	1.6
385.15503	1.5
393.10291	0.7
393.15872	0.7
395.11462	0.7
401.14679	0.9
409.09265	3.2
409.15308	2.6
421.09238	1.0
425.14771	2.1
427.16409	100.0
428.17041	0.8
439.10172	0.9
445.17450	6.8
451.10239	1.3
451.22900	1.6
469.11313	1.8
487.12070	3.1
487.18811	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	485.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01879	3.4
55.05507	16.1
56.96559	2.7
57.03421	3.7
57.07076	4.1
61.02917	3.5
67.05209	2.2
67.05509	17.6
67.99386	1.7
68.99759	1.7
69.03419	6.2
69.07072	16.3
69.80737	9.0
70.06592	2.1
71.05000	2.2
77.03905	1.7
79.05497	22.3
81.03427	4.0
81.07063	38.9
83.04984	3.6
83.08608	7.7
85.02884	10.6
85.06525	4.1
91.03969	1.6
91.05473	28.5
93.07050	41.3
95.04974	8.5
95.08607	51.4
97.02870	3.6
97.06538	15.9
97.10173	2.1
98.06850	1.8
98.20844	3.6
98.97555	6.2
99.04424	2.0
99.08099	11.6
103.32390	1.9
105.07033	61.3
107.04945	2.0
107.08598	62.3
108.08914	1.7
109.02865	2.9
109.06516	13.6
109.10155	25.7
111.04440	4.0
111.08092	5.6
113.05988	1.7
115.05403	1.7
116.06107	1.6
117.07019	11.6
119.08587	98.3
121.06503	6.2
121.10159	35.4
123.08085	9.8
123.11707	7.2
125.06007	2.8
125.09637	3.8
127.03907	3.0
128.06244	2.5
129.07004	6.8
130.07773	4.3
131.08575	57.9
133.10136	52.3
134.10509	1.8
135.08047	6.9
135.11678	18.7
137.05975	3.1
137.09573	3.7
137.13278	3.4
141.06961	2.8
142.07773	5.3
143.08531	14.7
144.09325	4.4
145.04958	2.5
145.06535	1.9
145.10130	75.2
145.11288	3.6
147.08046	8.3
147.11687	53.0
147.12807	3.6
149.05925	1.7
149.09634	8.4
149.13243	15.0
151.11205	2.0
151.48297	1.9
153.07004	2.4
153.09093	2.3
155.08572	7.3
156.09377	4.1
157.10141	21.5
158.10956	4.1
158.99686	3.2
159.08049	6.2
159.11694	51.8
161.09619	14.5
161.13297	19.6
163.07568	4.2
163.11215	14.2
163.14792	12.0
165.12764	2.4
169.10118	7.6
170.10843	2.5
171.11714	18.7
173.09618	4.8
173.13258	41.0
175.11264	10.9
175.14836	100.0
177.12752	33.2
177.16364	5.8
179.10622	3.4
179.14268	2.3
181.10072	2.3
181.12367	2.0
183.11671	14.6
185.13272	20.8
187.07474	2.1
187.11160	2.8
187.14835	60.4
189.09012	2.6
189.12785	9.0
189.16368	13.5
191.14310	48.3
191.17946	2.9
193.15816	2.9
195.11722	4.1
195.13747	1.6
197.13295	8.6
199.11214	3.2
199.14832	23.7
201.12764	14.8
201.16388	58.6
203.14323	25.6
203.17935	5.9
205.15839	7.4
207.17439	2.4
209.13252	3.6
211.14816	8.0
213.12840	2.7
213.16365	8.6
215.07214	2.7
215.14354	7.7
215.18056	4.0
217.15927	9.5
219.13829	6.1
219.17487	13.5
221.13344	3.1
221.15408	7.2
223.15018	2.8
223.16924	3.9
225.16397	3.5
227.18007	3.7
229.15938	6.8
231.17459	2.8
233.15335	7.8
237.18578	2.8
239.17905	2.6
241.15898	2.7
245.15331	3.7
247.16911	5.5
249.14876	3.6
253.19676	2.9
259.16812	3.9
281.19116	2.1
281.22723	2.2
331.24197	2.2
351.23050	3.4
365.03961	2.4
367.26105	2.6
375.30685	3.1
385.28677	2.2
393.31393	7.2
395.29352	2.4
403.29749	13.5
411.32639	6.0
421.31015	38.5
439.32095	51.0
441.20761	7.9
441.29706	33.3
449.30508	7.9
467.31750	12.6
485.19846	31.5
485.27371	1.9
485.33020	15.0
505.41049	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.5
55.05512	2.8
57.03426	0.9
57.07078	0.5
59.79047	0.4
61.02934	0.6
62.44476	0.5
67.05512	2.7
69.03439	4.2
69.07065	2.2
71.00774	1.0
71.04961	0.6
73.02921	0.6
79.05505	2.4
81.03413	1.7
81.07061	4.0
83.04973	1.6
83.08617	2.5
85.02909	4.6
85.06535	0.6
87.00813	1.7
91.05481	2.6
93.07046	8.0
95.04962	0.9
95.08604	3.5
97.02875	1.4
97.06549	2.3
97.10170	0.5
98.97580	1.1
99.04452	0.5
99.08041	0.5
105.01861	2.5
105.07018	3.8
106.01765	0.5
107.04946	0.8
107.08594	9.6
109.02862	1.4
109.06511	1.6
109.10165	3.4
111.08066	1.0
117.06993	1.0
119.04934	0.5
119.08582	7.4
121.06516	1.5
121.10144	14.0
123.08064	1.4
123.11692	1.6
125.09677	0.8
127.03959	3.3
129.06970	0.5
130.07768	0.8
131.08589	1.9
133.10130	3.3
135.08038	1.7
135.11710	5.5
137.09621	2.5
143.08597	0.5
145.04926	1.2
145.10120	5.5
147.11688	1.7
149.09642	3.2
149.13245	1.5
151.11176	0.9
157.10143	0.7
158.99571	0.8
159.11674	4.2
161.09587	1.3
161.13249	1.5
163.11169	15.6
173.01143	0.5
173.13264	0.7
175.11238	0.5
175.14832	2.1
176.11900	0.5
177.00732	0.7
177.12758	4.4
177.16318	2.9
187.14799	0.5
191.17947	0.7
199.14764	0.5
201.16318	3.1
204.15169	0.6
208.09747	0.5
219.17442	100.0
220.17918	0.6
225.64409	0.5
231.05135	0.9
237.18518	4.7
274.41174	0.5
313.08795	0.5
485.19406	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.7
56.15867	0.4
57.03437	5.0
57.07076	23.2
67.05502	5.2
69.07069	3.6
69.60983	2.9
71.08631	16.2
79.05488	0.7
80.55846	0.4
81.07053	6.0
83.08618	4.0
85.09719	0.7
85.10184	8.9
89.06026	0.8
93.07022	0.5
95.08607	9.9
95.75037	0.5
97.10147	2.2
98.98469	19.0
99.11665	0.6
102.30939	0.4
103.07571	0.5
109.10172	4.8
112.01040	0.4
123.11691	1.3
126.71799	0.4
138.66473	0.4
155.01045	11.1
165.25398	0.4
173.02110	2.3
229.04713	1.3
229.08087	0.5
239.23645	2.2
247.05762	1.4
313.27362	100.0
314.27866	1.2
340.45346	0.4
393.24030	1.4
449.26614	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	485.1995
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
52.83300	0.2
55.05501	0.4
55.82052	0.2
56.96575	0.4
61.02913	0.4
61.81500	0.2
69.03426	0.6
69.07063	0.4
79.05479	0.4
80.83523	0.2
81.03416	0.6
81.07044	1.1
85.02905	0.8
86.09717	0.3
91.05473	0.4
93.07047	0.5
95.08617	0.7
97.02879	0.3
97.06524	0.5
98.97581	0.7
100.78290	0.2
105.07037	0.7
107.08585	0.6
109.10167	0.7
110.97578	0.2
119.08594	0.6
121.10133	0.4
127.03884	0.4
133.10162	0.4
137.09583	0.3
145.10149	0.7
147.11690	0.3
158.99658	0.3
159.11626	0.3
161.13242	0.3
173.13309	0.4
177.00763	0.4
180.42490	0.2
198.37427	0.3
201.16377	0.4
203.05264	0.9
219.13733	0.3
219.17456	0.5
243.08835	0.3
249.11047	2.1
254.94467	0.3
257.45123	0.2
259.07825	1.4
259.10211	0.3
267.10925	0.4
268.10864	0.7
271.06006	0.4
305.13580	0.4
323.14655	6.7
323.18326	0.4
457.20255	0.5
485.19928	100.0
486.20407	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.01865	0.7
55.05522	1.6
56.96544	0.4
57.03418	0.4
57.07070	0.6
60.61599	0.3
61.02907	0.5
67.05508	2.6
69.03437	2.6
69.07072	2.1
69.24083	1.8
69.24484	0.8
71.04975	0.6
73.02906	0.4
79.05494	2.2
81.03407	0.8
81.07065	4.9
82.85847	0.3
83.04956	1.0
83.08604	1.1
85.02898	4.1
85.06527	0.5
85.08605	0.3
86.09701	0.4
87.00830	1.8
91.05487	1.7
93.07049	5.9
95.04977	0.6
95.08612	3.0
97.02888	1.0
97.06543	2.6
97.10157	0.4
98.20670	0.6
98.97583	0.6
99.04412	0.3
104.10731	0.9
105.01878	3.1
105.07010	2.1
107.04942	0.3
107.08596	5.8
109.02860	0.7
109.06519	2.6
109.10167	5.6
111.08061	1.3
117.07008	0.7
119.08586	2.7
121.06525	2.1
121.10146	4.5
123.08073	3.5
123.11706	6.8
124.99893	0.3
125.09589	0.5
127.03940	2.0
129.06911	0.4
131.08586	1.5
133.10103	1.3
135.08061	4.4
135.11687	8.8
136.75359	0.3
137.06104	0.4
137.09592	1.0
143.08513	0.4
145.04971	1.0
145.10136	2.6
147.11659	1.2
149.09608	1.6
149.13297	0.8
151.11183	0.4
157.10052	0.4
159.11731	2.2
161.09604	0.8
161.13277	1.0
163.11189	13.2
173.13345	0.3
175.11194	0.4
175.14836	0.7
176.11963	0.8
177.12744	1.6
177.16399	0.7
184.07320	1.0
191.14261	0.3
191.17915	0.4
201.16359	1.3
204.15187	0.4
219.17444	100.0
220.17763	1.1
228.07828	0.3
231.04967	1.0
237.18523	4.7
247.16949	0.4
249.06050	0.7
267.09009	0.4
323.24991	0.3
353.45380	0.3
464.03210	0.4
485.18643	0.5
485.26282	0.4
507.66873	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.9
55.05510	1.6
57.03442	7.2
57.07073	0.8
58.41658	0.6
59.04987	1.4
60.02704	0.6
60.08170	3.7
61.02928	4.9
67.05506	5.5
69.03083	1.0
69.03432	11.5
69.06741	0.7
69.07063	4.5
69.14407	0.6
69.80003	2.1
69.80415	1.3
70.06585	0.7
71.01346	1.0
71.05000	1.3
71.07364	1.2
71.08632	43.6
73.02918	20.2
79.05486	3.4
81.03423	2.6
81.07040	4.0
85.02905	27.0
85.06573	0.7
86.09706	12.6
87.04477	1.5
91.03962	1.2
91.05485	1.4
93.07047	2.5
95.04942	0.9
95.08614	2.3
97.02888	18.0
97.06525	2.5
98.97601	1.1
99.04459	1.8
99.08093	100.0
103.03939	1.5
104.10744	12.1
105.07049	1.0
107.08587	2.1
109.02883	2.6
109.10149	4.9
115.03931	6.5
115.60538	0.7
119.08576	1.9
124.99998	9.8
125.02365	1.1
127.03912	7.6
129.12758	11.2
129.56235	0.6
130.37407	0.6
133.04970	7.9
133.10144	1.3
135.11697	2.5
135.61229	0.7
139.01466	0.7
143.46883	0.7
145.04961	8.7
145.10133	1.9
155.14313	2.2
163.06046	2.8
163.11182	5.5
165.12770	1.7
171.11598	1.0
173.15372	90.6
184.07344	40.3
197.29271	0.6
223.06079	0.8
229.14320	5.2
230.15421	0.9
237.14796	1.4
241.07076	2.1
255.15877	9.6
259.08112	2.1
269.96716	0.7
287.18399	1.1
342.12848	0.6
347.81311	0.7
452.24219	0.7
484.20544	1.1
484.26639	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	484.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11967	0.4
53.03942	0.6
55.01855	1.8
55.05496	1.0
56.17815	0.5
56.96556	0.5
57.03432	1.3
59.31975	0.5
67.05499	2.7
69.03419	0.7
69.07050	1.0
70.90935	1.0
77.03950	0.5
79.05486	3.7
80.05006	0.5
81.03403	0.8
81.07069	2.4
85.02872	0.6
91.03956	0.5
91.05479	2.8
93.03413	0.8
93.07042	1.9
94.06570	1.2
95.04969	1.7
95.08591	1.4
97.06499	1.0
104.04997	2.3
105.07027	1.0
106.06528	1.2
107.04936	1.5
107.08591	1.5
109.06508	4.8
117.07031	0.9
119.08611	1.0
121.10172	0.6
122.06017	1.5
131.08557	1.2
132.04436	1.8
133.10135	1.1
134.06010	2.1
135.04288	0.5
135.08069	3.4
137.05928	0.4
143.08563	0.7
145.06374	0.5
145.10124	1.1
147.11745	0.6
149.09641	0.6
150.05505	44.5
152.04645	0.5
153.05385	0.7
162.05508	2.0
163.03908	1.2
171.11662	0.5
173.13210	0.7
177.12779	1.0
178.05002	46.1
179.05779	40.9
180.06557	100.0
181.06902	0.6
183.08109	0.5
190.05009	0.6
192.06552	3.0
194.99538	0.6
201.09082	0.5
204.06529	2.3
214.08646	0.9
216.06580	1.0
217.07346	1.6
217.15829	0.9
246.11263	12.7
248.12651	1.2
273.18533	1.3
274.10754	5.2
305.21158	6.1
313.87827	0.5
427.96811	0.6
452.24356	1.2
464.80185	0.5
466.25861	2.0
484.26944	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	484.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.6
56.96563	0.6
57.03437	0.8
61.02916	1.3
65.03935	1.1
69.03422	1.7
69.70372	3.9
70.06589	1.5
73.02905	0.8
76.20593	0.7
79.45071	0.6
81.03401	0.8
85.02890	4.8
91.05482	15.8
97.02892	2.2
98.97577	1.3
109.06489	1.1
112.99084	0.7
119.04941	10.0
121.69299	0.6
122.06042	0.6
127.03902	1.3
127.28899	0.6
137.05980	100.0
139.03891	2.1
141.05463	5.4
147.04465	0.9
154.02640	2.0
154.08623	0.9
169.04951	11.0
171.06485	1.4
179.03430	1.8
187.07626	0.8
200.04623	3.1
208.51099	0.6
211.01427	0.6
215.07033	2.7
216.07811	0.9
241.04985	1.0
243.06563	6.7
244.09703	3.6
245.08263	0.8
255.06693	0.6
259.06152	0.9
272.09146	6.3
273.07590	6.7
290.10236	2.3
304.11722	7.6
305.10205	24.4
322.12857	27.3
346.13144	0.8
364.13898	0.8
430.14874	1.0
434.14209	0.8
448.16168	2.2
466.17126	1.6
484.19147	2.6
485.99710	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68095	0.5
52.96443	0.4
54.78596	0.4
57.03432	0.6
61.02916	0.5
65.03938	0.6
68.22150	0.4
69.03416	1.6
70.23491	0.8
81.03372	0.5
83.04985	0.6
83.96439	0.4
84.08151	0.5
85.02906	3.4
91.05483	14.8
97.02866	1.6
98.97571	1.3
102.26640	0.4
109.02857	1.0
109.06506	1.2
111.04434	1.5
113.06006	0.7
119.04952	9.7
120.08110	0.5
123.04449	0.9
127.03927	1.3
135.04433	0.6
137.05975	100.0
139.03915	3.8
141.05455	5.3
147.04381	0.6
154.08658	0.6
169.04961	7.1
171.06520	3.4
180.55658	0.4
187.07545	0.7
200.04700	3.8
201.05380	0.7
205.60707	0.5
213.05594	1.0
215.06981	1.6
216.69901	0.5
243.06540	2.5
244.09705	4.2
245.08153	0.8
260.06744	0.5
263.96979	0.5
272.09100	2.5
273.07556	7.6
290.10306	1.4
296.00162	0.6
298.54718	0.5
304.11761	5.7
305.10159	9.4
322.12839	28.5
364.13745	0.6
366.09802	0.5
400.14017	0.7
424.11792	0.5
430.14868	1.0
448.15948	1.8
484.18365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
56.96580	0.5
57.03431	0.5
60.10559	0.5
61.02935	0.7
65.03943	0.9
68.99804	0.7
69.03419	2.0
69.65456	3.0
70.06595	0.8
81.03407	0.7
85.02905	4.7
91.05479	15.2
91.91890	0.5
97.02883	1.5
98.21475	0.9
107.04913	0.4
109.02882	1.9
109.06524	1.5
111.04446	1.5
113.06004	0.7
119.04942	11.0
123.04433	1.1
127.03912	1.5
129.06999	0.6
135.04434	0.9
137.02350	1.5
137.05977	100.0
138.06303	0.5
139.03935	3.7
141.05470	6.0
145.04909	0.7
147.04414	1.6
154.02568	2.3
157.06450	0.5
167.03438	0.8
169.04953	11.9
171.06572	1.3
185.05971	1.0
187.07570	0.9
200.04697	4.1
201.05441	0.9
213.05443	1.1
215.07089	3.0
228.04111	0.8
229.05087	0.6
230.05765	0.7
231.06618	0.5
241.04974	2.1
243.06531	14.2
244.09715	4.1
245.08217	1.6
259.06107	0.5
260.06754	0.9
272.09183	14.1
273.07553	14.9
290.10059	3.0
304.11734	8.3
305.10199	23.5
322.12851	28.2
323.13062	0.6
324.13715	0.6
416.13336	1.0
430.15106	0.8
434.14417	1.2
448.15836	1.3
452.15607	1.1
466.17087	2.4
484.18533	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.6
55.50305	0.4
61.02924	0.6
61.96639	0.5
67.05516	1.0
69.03430	0.5
69.07065	1.2
71.86562	0.5
72.45764	0.4
79.05501	0.9
81.03419	1.2
81.07054	1.0
83.08612	0.6
85.02900	0.9
86.09681	0.6
91.05498	0.9
92.74102	0.4
93.07029	1.1
95.04976	0.4
95.08605	2.0
98.97569	0.5
101.00900	1.9
104.10723	0.6
107.08575	1.0
108.17535	0.4
109.10177	0.6
113.14801	0.5
119.01926	1.9
119.08585	0.7
121.10150	2.0
137.05974	0.7
143.01913	1.2
157.03496	1.1
161.02924	1.1
168.99828	0.6
175.04588	0.7
176.52097	0.4
187.00928	1.6
203.05463	0.9
217.15916	0.9
221.62288	0.5
227.05176	0.6
245.06401	3.7
286.17319	1.6
287.03711	1.3
289.05316	20.1
397.22171	0.6
439.23068	6.1
483.22025	100.0
484.22452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3469
Annotation	3-Ketodehydrosulfurenic acid
Peak:m/z	Relative Intensity
53.03949	1.1
55.05511	19.9
57.03432	0.9
57.07071	0.9
59.05012	1.0
67.05499	13.3
69.03429	0.8
69.07068	10.4
71.04996	1.4
71.57367	1.4
73.06588	0.8
79.05498	6.7
81.07059	12.7
83.04997	1.2
83.08620	9.1
85.06536	1.6
86.09686	0.9
91.05479	6.6
93.07029	4.9
95.08601	9.5
97.06548	2.6
97.10155	6.6
101.06046	0.7
105.07025	8.5
107.08598	5.5
109.10160	6.1
117.07020	6.0
119.08577	7.8
121.10150	2.5
123.08131	0.9
123.11694	1.1
125.00043	1.0
125.09640	2.6
128.06232	3.7
129.06996	16.6
129.07925	1.4
130.07799	0.8
131.08588	7.8
133.10156	3.2
141.07001	8.3
142.07774	3.9
143.08556	19.3
145.10104	8.3
147.11705	2.2
153.07028	2.7
154.07788	2.2
155.08548	16.5
155.09695	1.3
156.09373	2.2
157.10129	21.9
159.11722	3.1
165.07042	1.2
166.07858	1.1
167.08578	8.3
168.09378	1.7
169.10123	20.0
170.10977	1.3
171.11691	16.4
173.13260	2.0
179.08618	2.9
181.10139	12.3
182.10944	0.8
183.11681	16.9
184.07378	3.9
184.12320	0.8
185.13260	9.8
187.44980	0.7
193.10139	4.9
193.84416	0.8
195.11697	13.0
195.13428	1.1
197.13261	9.8
199.05743	0.8
199.14816	4.7
202.17958	1.0
205.10153	1.1
207.11700	4.2
208.12515	0.8
209.13249	10.8
211.14780	5.3
213.16446	2.8
219.11731	1.3
221.13239	4.0
223.14833	8.6
225.16455	2.2
233.13295	2.2
235.14842	3.5
237.16431	2.4
239.18048	0.9
247.14740	1.7
249.16534	3.8
261.16339	1.4
263.18082	2.4
271.16959	2.0
277.19504	1.3
279.17520	0.9
281.19156	1.0
283.16891	1.7
285.18646	2.5
293.18958	1.3
295.20538	1.3
297.18478	2.0
299.20056	4.2
303.21072	1.3
305.22610	1.0
307.20844	1.4
309.22192	1.6
311.20212	1.3
313.21677	3.5
321.21994	4.9
323.23703	3.2
327.23260	3.0
333.21869	1.5
335.23691	8.3
337.25461	1.1
339.23434	2.4
341.24854	3.6
347.23865	1.0
349.25363	1.1
350.30045	0.8
351.23141	1.1
353.24835	1.9
355.26422	1.3
359.23523	1.2
363.23254	1.0
373.25275	2.4
377.24844	2.0
391.26245	1.2
429.31552	16.3
429.37274	1.2
447.32596	66.3
448.33032	1.5
465.33688	29.1
483.34781	100.0
484.34982	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	483.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96539	2.0
61.02925	0.8
69.03414	1.6
70.99842	1.1
81.03410	1.1
81.70663	0.8
82.99811	3.6
85.02863	1.9
94.64747	0.7
94.99866	0.7
97.02876	1.4
98.21545	1.2
98.97590	4.7
101.00880	17.2
102.12640	0.7
110.97552	1.2
111.58820	0.6
113.00862	5.1
115.02414	6.2
116.98599	1.0
119.01923	17.1
127.02413	4.6
127.03896	0.9
128.98593	1.2
129.00307	0.8
129.03999	0.8
131.00230	0.7
131.01918	8.4
133.03473	17.0
139.02396	2.0
140.98579	1.3
143.01897	28.0
145.03468	12.5
145.04788	0.8
145.05070	0.9
147.01376	1.0
151.04462	1.4
153.03973	1.3
155.01900	21.0
157.03470	10.6
158.99655	3.9
161.02965	17.7
167.01910	13.0
169.03459	4.7
170.99773	1.1
171.05031	2.8
173.02966	21.9
175.04521	19.2
177.00835	1.2
177.02480	1.7
179.01881	4.1
181.03554	0.7
182.99733	1.5
183.01422	1.9
185.02954	40.1
187.04535	5.7
189.00667	0.9
189.06143	1.0
191.03981	1.5
193.05679	0.9
197.02950	14.6
199.04451	1.8
201.00714	2.7
201.02440	27.9
201.06157	2.2
203.03984	9.9
208.04536	1.2
209.03059	1.0
211.04546	1.4
213.02472	5.4
215.03995	7.5
217.05609	1.3
219.03517	40.7
221.05103	2.0
221.56825	0.9
225.02426	1.1
227.04016	10.3
229.05576	2.1
229.10471	0.8
230.57640	0.8
231.01736	0.7
231.03571	5.9
231.07382	0.8
235.06595	1.2
237.02513	1.6
237.04639	1.7
239.03981	1.0
243.03610	1.5
245.05075	100.0
246.05336	1.6
249.04514	5.8
252.36467	0.7
255.03549	1.3
257.05106	7.3
259.06354	0.8
261.02325	0.9
261.04758	12.9
263.06091	11.3
273.04471	1.0
274.41251	0.7
275.06104	13.0
277.07605	1.7
279.05927	3.5
291.05499	2.2
293.07150	3.8
303.05649	15.2
305.07175	11.7
317.07523	0.7
321.06750	23.6
335.08224	3.9
365.09344	11.6
483.11884	23.4
483.17386	1.1
484.12915	0.8
497.29062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
56.96563	4.7
57.03449	1.5
59.05032	1.1
61.02925	2.8
67.05518	2.4
69.03438	6.8
69.60726	7.7
70.06615	1.4
73.02902	2.5
76.00375	1.0
81.03423	3.0
84.08103	1.3
85.02907	14.8
88.52793	1.3
91.05452	1.3
95.08630	1.5
97.02891	6.5
98.97610	6.5
109.02885	1.4
116.98633	1.9
120.08112	2.4
127.03931	2.9
130.02718	1.2
136.07635	1.9
138.05539	1.4
145.04942	2.8
147.04417	2.4
155.03831	1.9
158.99655	2.0
160.93993	1.4
170.08421	1.2
177.00754	1.5
181.08926	1.4
182.09781	1.3
182.65134	1.2
188.44341	1.2
193.05353	1.9
194.09677	1.4
196.09962	7.7
197.10750	2.5
203.07001	1.5
206.08411	16.0
209.07120	1.2
210.11320	1.4
211.06349	1.9
211.12277	9.6
220.10033	3.4
221.10674	9.2
223.08714	4.8
224.09450	5.0
225.10115	1.4
226.10915	2.2
227.08212	1.5
237.02750	1.8
237.10220	2.1
238.11002	4.8
239.11838	25.6
241.09808	2.1
252.08963	1.7
254.10501	2.6
257.12842	5.0
267.11304	53.9
272.11652	4.2
276.03903	1.3
285.12338	61.7
286.17416	1.3
287.14044	1.2
303.13397	100.0
321.10114	11.4
321.14368	7.1
336.25867	1.3
339.11121	11.8
363.11078	6.7
440.02472	1.3
483.15179	21.3
483.21048	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	482.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01880	0.6
55.05513	4.9
57.03236	0.6
57.03441	6.8
61.02928	4.9
63.21128	0.6
67.05508	9.6
69.03434	3.8
69.07069	3.5
69.53817	4.2
70.06571	0.7
71.04992	1.3
73.02905	1.7
76.35379	0.7
79.05499	9.0
81.03418	27.0
81.07054	12.5
83.04992	7.1
83.08622	11.4
85.02438	0.7
85.02905	14.3
85.06519	0.9
86.09703	1.7
87.04480	0.9
91.03948	2.6
91.05482	13.7
93.07052	7.2
95.04973	12.4
95.08622	4.0
97.02872	4.7
97.06529	2.7
97.10168	2.4
98.97595	0.8
100.62426	0.7
104.10741	2.3
105.07037	8.9
107.04955	3.5
107.08609	4.6
109.06499	3.4
109.10188	1.7
111.08073	5.1
112.48426	0.6
115.03966	0.9
115.19113	0.8
119.08595	9.1
121.06506	1.0
121.10149	5.2
123.08078	1.5
123.11781	1.1
125.09650	0.9
127.03905	1.1
129.07004	4.8
131.08562	5.0
133.04977	0.9
133.10123	5.2
135.11613	1.3
137.05984	1.0
137.09595	1.4
142.07790	1.0
145.04942	1.1
145.10147	0.7
147.08072	1.6
147.11696	7.5
149.09605	2.6
153.12747	2.3
154.74779	0.8
157.08856	1.4
157.10121	7.2
159.32541	0.7
165.12756	1.7
171.13800	1.2
175.11191	9.2
184.07347	1.5
184.56746	0.6
193.12254	25.2
203.14380	0.7
211.13300	22.1
215.01741	0.9
231.14046	0.8
243.65988	0.7
249.15002	2.0
267.13306	1.2
267.15927	10.8
285.16968	100.0
286.17517	1.1
429.21133	1.0
447.22333	2.7
450.22360	1.2
482.22324	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.01868	0.9
55.05511	6.1
56.96577	0.7
57.03439	5.0
59.04989	0.6
61.02931	4.1
67.05510	6.8
69.03430	4.5
69.07070	3.9
69.69625	4.2
71.04975	2.5
73.02914	1.8
79.05497	8.6
81.03421	34.5
81.07056	10.6
83.04984	6.9
83.08622	12.6
85.02905	10.4
85.06545	0.9
87.04478	1.3
91.03939	2.2
91.05486	11.2
93.07048	5.9
95.04967	12.5
95.08636	3.9
97.02882	3.7
97.06544	2.0
97.10184	1.5
98.20639	0.9
99.08070	1.2
105.07031	7.8
107.04958	3.4
107.08602	3.6
109.06503	2.2
109.10150	1.3
109.51812	0.7
111.04440	1.7
111.08085	7.0
113.06017	1.3
115.03896	2.1
119.08578	6.7
121.06493	0.7
121.10129	4.1
123.08047	1.1
123.11723	1.2
127.03956	0.8
129.07007	6.0
131.08556	5.4
133.04929	2.1
133.06497	1.2
133.10156	5.2
135.11682	1.9
138.19644	0.7
139.01453	0.7
139.83754	0.6
142.07744	0.7
145.04970	0.8
147.08046	1.4
147.11691	9.0
149.09622	2.3
153.12756	9.9
157.10153	8.8
165.12791	1.8
165.39580	0.6
175.07762	0.7
175.11209	9.0
175.34146	0.7
185.44154	0.6
193.12253	40.8
211.13306	39.4
229.14374	0.9
267.15945	18.6
285.16977	100.0
286.17337	1.2
303.17914	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.8
55.01863	6.6
55.05513	7.3
57.03423	4.1
57.07078	13.6
59.04985	2.7
61.02924	5.8
63.57925	1.3
67.05499	2.3
68.99776	1.6
69.03095	1.3
69.03429	22.4
69.07069	55.4
71.04984	8.7
71.08638	10.7
73.02897	5.0
73.06555	10.2
79.05485	3.2
80.19172	1.5
81.03416	17.3
81.07052	3.7
83.08607	2.8
85.02902	55.4
85.10172	3.9
87.00327	1.4
87.00832	25.6
87.04474	1.7
89.06035	26.1
91.03959	2.4
91.05489	3.8
93.07040	2.3
95.08599	2.1
95.84089	1.2
96.89020	1.5
97.02899	30.3
97.06552	1.5
98.20641	2.9
99.04458	9.5
99.11712	1.6
105.01862	36.4
107.08600	1.4
109.02870	19.5
109.10162	1.9
111.11720	82.6
117.01844	1.9
119.08647	1.7
127.03925	40.7
129.01854	2.0
129.12759	100.0
131.08516	1.4
136.07083	1.3
137.05968	4.4
145.04962	19.0
147.02901	1.8
156.10225	1.4
159.02882	10.9
189.03889	1.4
199.16902	16.8
213.03981	4.0
217.18033	19.6
230.02425	2.1
231.04965	13.0
249.05992	3.0
334.90964	1.4
359.16901	1.3
364.21436	1.9
383.71121	2.2
482.28601	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	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.8
54.96331	1.5
55.01866	5.3
55.05515	8.3
57.03434	4.7
57.07074	10.0
61.02916	5.4
67.01253	1.6
67.05505	4.2
69.03436	16.5
69.07071	53.7
69.57278	3.5
69.57681	7.9
71.04977	5.9
71.08645	8.3
73.02906	5.3
73.06229	1.5
73.06564	11.6
78.30846	1.6
79.05483	3.7
81.03423	17.2
81.07043	3.4
83.08601	2.9
85.02905	41.7
85.10165	3.3
87.00831	19.9
89.06033	24.8
91.03956	3.1
91.05476	4.8
93.07040	4.7
95.04948	2.2
95.08603	2.4
97.02896	28.9
97.06521	3.6
99.04447	7.6
105.01870	26.9
105.06995	2.1
106.31043	1.5
107.08593	2.0
109.02866	15.5
109.10135	1.8
111.11722	80.3
117.63127	2.0
121.06484	1.6
127.03918	35.1
129.01834	2.2
129.12764	100.0
133.10101	1.9
137.05998	7.3
145.04955	17.6
147.04462	2.1
159.02905	7.1
161.06117	1.9
184.07355	2.0
193.12122	2.2
199.16933	19.8
213.03918	2.0
217.18004	21.0
231.05067	12.4
249.06050	3.6
322.42819	1.8
333.42947	2.3
355.47458	1.7
359.16977	2.9
364.21332	2.1
383.70984	2.2
413.63031	2.1
482.28586	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	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45576	0.7
55.01854	0.7
55.05513	3.0
57.03430	2.7
58.93010	0.5
61.02905	2.1
62.63627	0.6
66.43314	0.6
67.05503	8.1
69.07078	4.1
70.21873	2.7
71.05003	1.4
79.05506	4.8
81.03412	1.7
81.07058	29.7
83.04992	3.3
83.08620	2.9
85.02892	2.5
85.06528	2.0
91.03938	2.0
91.05488	6.9
93.07050	4.1
95.04984	1.1
95.08626	5.2
97.02907	1.3
97.06521	2.5
99.08100	1.3
101.06005	0.8
105.07041	13.9
107.08607	5.4
109.06518	2.0
109.10120	0.8
119.08601	10.4
121.10149	9.7
123.08048	1.5
123.11720	13.2
127.07530	1.4
129.32986	0.6
131.08554	1.0
133.10117	1.4
137.05983	2.1
137.13264	0.9
141.09126	1.0
147.11691	34.0
157.10107	1.5
165.12758	16.7
175.11168	1.6
183.13805	2.9
193.12228	1.3
229.14360	5.5
267.15945	38.2
285.16974	100.0
286.17316	1.4
315.07773	0.6
372.83936	0.7
383.71063	1.9
447.22183	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82969	1.1
51.82920	1.0
54.77440	1.0
55.05503	3.4
57.03421	3.4
61.02913	3.8
67.05504	11.3
69.07068	5.2
70.50094	2.0
71.04990	1.5
79.05471	5.7
81.03406	4.1
81.06588	1.6
81.07057	30.4
83.04974	2.2
83.08614	3.6
85.02892	3.9
85.06557	1.3
88.21024	1.0
91.03941	2.3
91.05468	8.9
93.00421	1.0
93.07036	5.5
95.04975	1.0
95.08627	5.1
97.02884	2.2
97.06537	2.8
99.08082	1.9
101.48572	1.1
103.98520	1.1
105.07039	13.4
107.08594	6.0
109.06500	2.6
119.08590	12.3
121.10153	8.8
123.08048	2.1
123.11713	13.2
127.03986	1.2
133.10150	2.3
137.05968	6.4
141.09152	1.1
147.11688	37.1
157.10167	2.4
165.12764	17.1
173.05922	1.0
175.11145	2.8
183.13791	3.1
187.07413	1.8
193.12268	2.0
202.10869	1.9
210.62331	2.1
229.14272	4.4
267.15930	28.1
268.16309	1.2
285.16974	100.0
286.17392	2.1
287.38947	1.0
353.63876	1.0
364.20981	2.7
383.71075	3.6
392.22626	1.1
447.21997	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02750	2.7
51.53611	3.0
55.01862	6.6
55.05507	19.3
56.83632	2.7
57.03428	16.0
63.17798	3.0
67.05189	3.5
67.05508	51.8
69.07058	19.8
69.35049	3.1
69.35356	24.2
70.07355	2.6
71.04987	4.5
79.05490	32.2
81.03390	4.7
81.07056	56.8
83.05002	5.9
83.08603	11.7
85.02901	3.5
85.06506	4.0
91.05480	22.9
93.07040	41.0
95.04972	6.9
95.08607	22.7
97.02845	3.2
97.06525	9.4
97.10154	3.3
98.21351	10.1
105.07014	10.7
107.08589	27.6
109.06512	2.9
109.10146	9.9
111.08069	6.9
113.00014	56.5
117.06943	7.3
119.08557	9.4
121.10114	13.5
131.08513	8.3
133.10107	10.4
135.07979	3.3
135.11668	11.5
145.10124	5.3
147.03067	4.4
147.11703	6.6
149.13257	16.9
159.11693	12.0
165.12682	3.7
169.02631	29.6
173.11847	3.5
177.12711	10.2
184.07367	6.6
187.03581	4.7
189.35756	2.9
195.13773	9.1
224.08051	20.6
224.58176	13.2
225.08191	4.4
241.19513	3.9
251.16348	5.4
259.20575	5.0
269.17474	100.0
277.21585	19.3
292.19949	3.5
333.24374	3.4
351.25174	18.4
363.15845	7.0
369.26273	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.4
55.01876	4.9
55.05521	27.1
57.03435	19.6
60.24304	4.1
62.69156	3.9
67.05505	69.8
69.03419	5.1
69.07077	28.6
70.07422	4.7
71.00652	4.0
71.00977	8.2
71.04989	6.1
73.02893	4.9
79.05490	43.7
81.03414	9.7
81.07056	81.3
81.22240	3.6
81.52809	3.9
82.07385	3.8
83.04972	7.1
83.08610	15.4
85.02905	6.6
86.09701	7.1
91.05486	26.3
93.07046	52.8
95.04979	10.1
95.08626	25.9
96.65226	3.3
97.02917	7.1
97.06522	14.9
97.10179	5.6
105.07027	17.6
107.04939	4.5
107.08595	30.6
108.07761	3.9
109.06552	6.4
109.10179	12.7
111.08092	11.5
112.99209	5.0
113.00021	100.0
115.17562	3.7
117.07021	13.7
119.08592	15.3
120.63352	3.8
121.06467	5.2
121.10120	20.6
123.08066	4.2
124.99953	4.7
125.09687	5.1
129.07033	5.7
131.08577	14.4
133.10141	12.0
135.08078	5.4
135.11678	9.0
137.05994	8.7
139.11160	4.8
141.68568	4.0
145.10083	6.0
147.03104	4.2
147.04364	3.6
147.11713	8.2
149.09683	8.2
149.13257	27.6
151.11180	4.1
153.01881	11.2
159.11699	18.0
161.09682	4.1
163.11243	3.7
169.02608	95.2
171.11658	4.0
173.82692	4.1
177.12733	13.3
184.07361	16.3
187.03728	9.7
195.13869	12.3
224.08081	16.9
224.58214	7.6
251.16460	6.4
259.20493	4.3
269.17490	98.6
277.21591	11.1
291.19553	13.0
292.19946	22.5
304.16354	7.6
351.25351	15.9
363.15701	35.1
369.26312	11.1
446.21671	6.2
464.22754	11.5
481.25302	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	481.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56432	0.4
61.09238	0.4
67.05500	1.1
69.50011	0.5
71.07504	1.2
81.07063	1.1
85.02890	0.6
91.05456	0.6
93.07041	0.6
95.08602	3.1
97.02879	0.6
101.00890	1.7
107.08597	0.9
107.97282	0.5
109.10162	1.8
119.01928	1.5
119.08580	0.7
121.10154	0.7
135.11668	0.9
142.48749	0.5
143.01935	1.4
155.01936	0.7
157.03505	1.2
161.02917	1.4
168.53999	0.4
173.02951	0.7
174.46104	0.5
175.14803	0.5
203.03998	1.2
211.08107	0.5
221.05096	2.2
245.06317	1.3
271.04388	1.1
275.14923	0.6
284.15778	0.7
288.34393	0.4
289.05316	7.3
293.15973	6.7
305.16034	0.9
311.17075	1.7
317.16132	0.6
324.10657	0.6
335.17145	2.5
343.70004	0.6
377.18179	0.7
395.19324	9.3
404.72409	0.5
410.72964	0.5
419.19943	0.6
437.20996	19.7
481.20459	100.0
482.20959	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
56.96565	0.4
57.03413	0.4
61.02915	1.2
67.05495	0.9
67.52054	0.3
69.03426	1.3
69.07079	0.5
71.04984	0.4
72.08141	0.4
73.02907	0.6
79.04772	0.4
79.05477	1.0
81.03400	0.9
81.07047	1.5
83.08631	0.7
85.02902	1.8
90.03252	0.4
91.03946	1.2
91.05495	0.8
93.07047	0.9
95.08582	1.1
97.02883	1.3
97.06518	0.6
97.10204	0.5
98.97563	0.6
105.07026	0.5
107.08611	0.7
109.10167	1.1
116.98720	0.5
119.04977	0.4
119.08582	0.7
121.10130	0.5
123.11673	0.7
127.03724	1.4
137.05956	1.9
145.03537	0.4
161.02962	0.9
169.03473	0.6
171.02602	0.4
173.04259	0.7
184.07431	0.7
186.06566	0.6
189.46632	0.4
197.19041	0.9
215.05249	0.9
229.18611	0.6
259.05850	0.7
284.15686	1.3
289.05212	0.9
317.08435	3.0
349.12366	1.3
365.20792	0.5
437.20758	0.7
481.16736	100.0
482.17413	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.2
57.07057	0.6
60.87829	0.6
61.02889	1.7
67.05464	2.3
67.38870	0.5
69.03387	0.5
69.07029	1.7
69.64439	2.8
73.02884	0.7
75.93354	0.6
79.05463	0.8
81.03407	1.0
81.07009	1.6
83.08617	0.6
85.02871	2.2
91.05458	1.9
91.73783	0.6
93.07025	2.3
95.04928	0.8
95.08604	5.5
97.02859	0.7
97.71513	0.5
105.07024	3.4
107.08554	1.8
109.10153	5.1
119.08585	10.5
121.10098	0.9
133.10130	14.0
135.11674	1.4
137.05943	1.6
137.09550	1.8
143.01883	1.0
145.10059	1.0
147.11630	3.6
161.03050	0.7
173.13226	0.5
175.14824	9.8
178.16663	0.7
193.15860	0.8
203.05214	2.7
227.05212	1.1
245.06319	6.7
248.08237	0.5
271.04306	1.2
287.03690	4.5
289.05292	100.0
290.05710	0.6
306.55499	0.6
437.21548	2.5
481.20450	79.3
482.20813	1.1
503.18042	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2051
Annotation	Briarlide H
Peak:m/z	Relative Intensity
55.01878	0.9
55.05511	1.6
57.03437	0.9
58.40090	0.7
61.02923	3.3
63.24608	0.6
67.05492	2.0
69.03421	2.1
69.07082	1.3
70.06581	0.9
71.56573	1.5
72.78343	0.6
73.02910	0.7
79.05513	1.8
81.03419	2.1
81.07047	2.2
83.08624	1.2
84.21851	0.7
85.02922	4.4
85.06557	0.8
85.79957	0.7
91.03949	2.1
91.05486	2.3
93.07049	3.3
95.04971	1.1
95.08609	2.9
97.02916	2.0
97.06535	1.3
98.97598	0.8
99.04460	0.7
99.08141	0.8
101.00888	1.1
105.07040	3.9
107.08643	3.7
109.10160	2.0
119.01905	1.2
119.08584	5.9
120.08106	1.5
121.10168	1.3
127.03940	1.4
131.08534	0.8
133.10123	6.3
135.11713	2.3
137.05986	2.7
137.09666	0.8
143.01900	1.6
145.04898	1.0
145.10164	1.0
147.11739	1.0
157.03493	1.2
161.03000	1.5
175.14856	4.8
187.00880	1.2
203.03908	0.8
218.53409	0.7
225.31929	0.7
227.05215	0.9
228.12747	0.8
233.15405	1.3
245.06325	3.9
255.72865	0.7
271.04233	1.5
285.17023	3.1
287.03973	0.9
289.05316	68.5
299.10251	1.6
300.10718	1.2
301.10928	1.2
317.11371	1.6
318.11688	2.0
319.11951	3.6
395.20309	1.4
399.90259	0.9
419.20349	1.4
437.21631	7.0
463.19424	14.9
481.20511	100.0
482.20935	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
55.05518	3.2
57.03424	1.5
59.59420	0.7
61.02897	2.4
67.05505	4.2
69.03410	1.2
69.07036	1.8
69.40273	5.0
71.04967	1.3
73.02892	0.8
79.05496	7.1
81.03392	1.9
81.07065	5.7
81.70125	0.7
83.04947	1.1
83.08577	2.3
85.02872	2.6
86.09677	2.6
91.05459	1.6
93.07042	9.9
95.04926	1.8
95.08607	14.2
97.02854	2.0
97.06525	1.6
98.21461	1.1
99.04416	2.6
105.07008	1.9
107.04954	3.4
107.08596	9.6
109.06487	1.3
109.10151	1.3
111.08049	0.7
117.06991	2.7
119.08565	4.0
121.06464	1.7
121.10164	6.1
124.99997	1.6
125.05962	1.4
133.10074	2.2
135.08022	1.1
135.11691	24.4
139.07582	0.6
145.10117	11.9
163.11183	33.9
181.12206	6.3
184.07347	10.2
206.34897	0.7
209.11737	1.8
227.12785	47.3
232.13759	1.1
251.08638	2.2
251.58719	3.3
252.08974	0.9
283.15396	100.0
284.15967	0.7
292.14496	1.3
301.16583	4.1
360.47659	0.6
364.04874	0.7
394.18552	1.9
436.20288	5.6
480.12173	1.6
480.19208	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.309
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
51.70694	0.6
55.05522	3.3
57.07084	1.4
59.47482	0.6
62.06076	0.9
67.05489	1.5
69.07067	4.2
70.04607	1.2
70.04986	2.0
71.08623	0.7
71.83064	0.7
75.13472	0.6
79.05470	1.6
81.07034	0.9
83.08620	1.6
91.05482	0.8
93.07033	1.0
95.08616	1.4
97.06538	0.9
98.06075	6.9
107.08588	0.8
112.07610	1.1
119.08623	0.8
223.85506	0.7
308.29483	100.0
309.29807	1.1
384.48920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01862	1.0
55.05503	2.6
56.82577	0.5
56.96567	0.8
57.03429	2.4
61.02916	2.1
67.05504	4.5
69.03419	1.9
69.07065	1.6
69.34743	5.5
70.06576	0.6
71.04990	0.7
73.02927	1.4
73.26414	0.6
79.05495	6.6
81.03405	0.9
81.07066	5.2
83.04987	1.1
83.08617	3.3
85.02903	2.8
91.03952	1.5
91.05469	2.6
93.07047	11.3
95.04958	2.7
95.08059	1.1
95.08615	13.7
97.01551	0.6
97.02898	2.4
97.06544	1.8
98.26536	0.6
99.04441	1.9
105.07018	2.7
107.04979	3.3
107.08589	10.4
109.06505	1.3
109.10151	1.4
111.04435	1.1
117.07014	2.6
119.08591	4.0
121.06519	2.3
121.09332	1.0
121.10148	7.2
124.03937	1.5
125.05984	2.7
133.10149	1.0
134.03433	0.6
135.08128	1.1
135.11697	21.9
139.07573	1.2
145.10132	12.9
163.11189	32.8
173.09584	0.7
181.12238	7.4
198.95570	0.6
209.11630	1.5
227.12794	46.9
228.13080	0.8
283.15405	100.0
301.16507	1.1
376.98547	0.8
409.35538	0.6
445.20648	1.8
501.43933	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01867	5.1
55.05512	15.4
56.96547	1.7
57.03419	7.9
57.07072	1.7
59.04993	1.1
61.02914	2.8
67.05503	20.1
69.03418	2.7
69.07068	17.3
69.66946	3.1
69.67355	3.3
71.08240	1.4
71.08630	19.3
78.15145	1.2
79.05485	16.8
81.03424	4.6
81.07061	22.1
83.04980	3.5
83.08604	5.2
85.02911	3.4
85.06554	2.1
91.05478	10.9
92.76556	1.3
93.07042	12.8
95.04949	5.9
95.08611	8.9
97.02877	1.8
97.06534	3.7
97.10152	7.6
98.97561	1.6
99.08087	11.3
105.07050	8.1
107.04966	3.8
107.08585	10.6
109.06522	2.0
109.10155	6.2
111.04394	1.7
111.08089	2.1
113.00017	93.9
117.07012	2.2
119.08572	3.8
121.06510	4.3
121.10126	4.3
123.08064	2.8
123.11757	1.9
125.09630	6.0
127.03919	1.3
129.07054	1.5
131.08563	3.0
131.86867	1.1
133.10106	7.1
135.08049	2.0
135.11682	3.5
137.05905	1.7
137.09651	1.5
139.11176	1.5
145.10147	1.7
147.11711	1.4
149.09656	2.4
149.13220	1.5
151.11195	5.5
153.09219	1.7
157.10129	1.6
159.11726	3.3
165.12840	1.7
169.02605	25.6
177.12727	5.2
184.07324	3.1
187.03658	8.9
189.11252	3.8
195.13785	1.9
227.12869	1.5
247.20645	2.1
253.14362	4.2
257.19159	1.9
265.21759	2.4
265.91141	1.1
267.15897	1.5
269.12460	1.5
275.20071	14.7
284.42813	1.1
285.10153	1.7
293.21100	100.0
332.91049	1.2
349.23688	7.4
367.24789	56.9
367.29443	2.8
417.51083	1.3
429.20294	2.2
443.21951	33.8
461.23068	18.3
461.28842	1.7
479.31436	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	479.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
53.78531	1.5
55.01864	5.9
55.05513	17.5
57.03437	8.9
61.02915	2.8
67.05179	1.9
67.05510	20.9
69.03423	3.6
69.07061	16.5
70.04707	3.0
70.05114	4.3
71.04993	1.8
71.08635	21.1
79.05500	18.9
81.03407	6.3
81.07063	24.0
83.04987	4.3
83.08611	7.4
84.46597	1.6
85.02898	2.5
91.05471	14.4
93.07038	16.7
95.04980	8.1
95.08627	10.0
97.06510	1.9
97.10170	8.3
98.97575	2.8
99.08115	12.1
105.07043	12.5
106.12051	1.5
107.04958	4.5
107.08601	12.3
109.06483	2.2
109.10154	8.5
111.04393	2.1
111.08062	1.7
112.99220	2.5
113.00014	45.5
117.07013	4.2
119.08579	4.5
121.06524	3.6
121.10141	4.6
123.08048	3.6
123.11757	2.8
125.09631	6.0
131.08551	5.3
133.06602	1.5
133.10138	8.8
135.08075	1.8
135.11668	2.4
143.08514	2.9
145.06477	1.6
145.10080	2.0
147.11674	2.4
149.13260	2.8
151.11192	6.8
153.09152	1.6
159.11749	3.2
163.11230	3.1
165.12794	1.7
167.10657	2.9
169.02652	8.0
169.03922	1.5
169.10208	1.6
169.12187	2.2
177.12772	1.9
187.03706	5.5
189.11238	3.5
211.13295	1.9
223.33867	1.5
227.12741	1.8
246.96657	1.6
247.20439	1.9
253.14444	4.4
267.15976	3.1
275.20074	15.3
293.21103	100.0
323.10822	1.8
347.22958	1.7
349.23605	6.7
367.24814	72.4
412.63409	1.7
419.28616	1.9
420.51233	1.7
443.21927	7.8
461.22723	6.3
461.28680	2.4
479.30688	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	479.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35747	1.4
53.03933	2.2
53.65633	1.3
55.01858	4.5
55.05510	16.0
56.89201	1.4
56.96566	8.2
57.03447	7.5
61.02917	5.1
65.03932	1.9
67.05506	23.0
69.03428	3.8
69.07069	16.1
71.05005	1.7
71.08631	24.0
71.57189	2.2
73.02897	2.9
79.05492	20.7
81.03418	7.6
81.07057	17.1
83.04977	4.8
83.08617	7.1
85.02892	4.8
86.09694	2.4
91.05477	14.4
93.07050	15.9
95.04943	7.4
95.08603	9.9
96.59278	1.3
97.02889	5.3
97.06537	4.2
97.10175	7.6
98.97569	4.0
99.08105	18.5
105.07043	11.1
107.04949	3.4
107.08615	12.1
109.06527	3.5
109.10140	5.9
109.66624	1.4
111.04436	2.1
111.08115	3.5
112.99218	2.6
113.00021	41.5
117.07013	3.5
119.08587	6.5
121.06515	4.7
121.10140	5.7
123.08047	2.3
125.09641	5.2
127.03961	1.8
129.07053	1.7
131.00140	2.5
131.08601	4.5
133.10179	7.0
135.08075	1.9
135.11674	4.5
137.05928	1.9
137.09636	2.0
145.10150	2.5
147.11694	2.5
149.01268	3.2
149.09586	3.1
149.13237	3.8
151.11208	2.2
153.09113	1.8
155.08603	1.6
157.10208	2.9
159.11746	3.8
167.10759	2.8
169.02640	7.8
177.00720	2.8
177.12718	2.7
179.10608	1.4
184.07372	6.3
187.03694	4.7
189.11188	4.0
193.12241	2.2
195.13765	2.8
224.08075	11.0
227.12837	2.5
243.08963	2.6
253.14449	1.9
257.19168	1.5
259.08542	1.6
261.10184	2.0
267.09116	2.6
267.15878	1.9
269.10672	1.5
275.20096	9.0
283.08636	1.7
285.09995	5.0
293.21100	100.0
301.09558	2.3
303.11118	1.9
323.61182	1.6
349.16965	1.9
349.23691	2.7
367.24768	52.3
441.21265	1.8
443.21835	8.6
443.27182	2.4
461.22656	7.1
461.28534	3.7
479.16821	11.7
479.28641	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	479.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31329	0.9
56.05036	73.0
57.03422	2.0
58.06604	11.4
61.00841	2.2
61.01151	44.5
67.10616	1.0
69.62242	5.8
70.02948	3.2
73.02898	1.6
74.06080	100.0
75.02712	3.1
81.04486	1.0
82.06569	1.6
84.04494	9.5
86.06068	1.5
86.09703	35.8
88.03979	5.4
98.20786	2.2
99.05576	1.6
100.03946	1.8
100.04576	1.0
100.07602	1.8
101.07132	3.1
104.05331	87.1
107.39937	1.0
108.04464	7.8
110.02394	1.6
110.06042	4.6
111.05558	2.1
112.11215	2.6
118.63284	1.1
122.40911	1.1
124.11237	1.4
125.07108	5.7
126.05519	25.1
127.04990	1.8
127.08662	4.6
129.06581	2.9
130.04991	3.0
130.06850	4.3
132.10205	26.8
136.03937	1.9
138.05504	2.5
141.13838	4.7
144.06557	21.3
145.06068	2.9
153.06567	4.9
154.04976	2.4
156.04781	7.9
158.11772	2.3
169.13348	7.4
171.07663	7.6
174.05846	21.8
175.09007	2.9
184.04199	1.4
187.14394	9.7
189.08716	13.2
197.12849	5.5
199.07092	2.4
201.06927	25.0
202.05333	4.6
215.13918	50.2
217.08205	19.5
219.01630	1.1
219.07976	19.1
229.06509	1.1
233.14958	91.8
243.13362	4.0
247.07487	51.7
284.10703	1.2
284.15997	5.6
286.08615	1.3
293.85342	1.0
302.11563	2.0
304.09637	1.5
312.15475	1.2
320.12717	2.4
324.46432	1.2
330.11212	6.6
330.16586	18.8
343.88782	1.1
348.12207	39.8
348.17422	6.5
358.16052	2.2
366.13489	1.7
371.17575	1.5
397.19308	1.7
415.20038	6.9
443.19623	9.9
444.18484	1.2
461.20660	24.4
479.21722	6.1
502.76736	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94326	0.4
53.03924	1.9
55.01857	1.3
55.05496	0.8
57.03441	3.1
58.58786	0.5
59.04994	0.4
61.02928	5.2
67.05487	0.7
68.80577	0.5
69.03432	13.3
69.07096	0.5
70.03856	0.4
71.04972	1.9
72.81596	0.4
73.02924	3.1
74.02852	0.4
79.05482	0.9
81.03424	5.7
81.07059	0.9
83.01326	0.5
85.02908	22.2
87.00803	0.5
87.04478	2.8
91.03946	1.7
95.08578	1.1
97.02899	10.0
97.03520	1.0
99.04441	1.7
102.95715	0.5
105.07050	0.7
106.06429	0.5
107.08617	0.5
108.71490	0.5
109.02890	3.1
109.10123	0.8
119.08573	0.6
127.03917	4.9
135.11700	1.0
137.05948	0.6
145.04971	3.5
181.06566	0.5
182.08356	0.9
187.61636	0.5
195.17485	0.6
197.10777	2.7
198.09196	0.8
210.07866	2.8
212.09424	0.5
213.18469	1.4
224.09367	1.2
225.10207	9.6
227.12050	0.5
228.08920	0.6
229.05138	0.6
240.08948	1.1
253.09718	6.3
253.98485	0.5
255.11307	2.4
257.04559	1.1
257.09222	1.4
257.61905	0.5
268.08466	1.1
271.10791	6.9
281.09277	2.7
285.03998	0.9
299.10272	68.8
300.10599	0.7
317.11325	100.0
318.11444	1.1
330.41147	0.5
373.22092	0.6
416.24475	0.6
417.24765	3.7
461.27429	3.5
479.16608	26.2
479.27356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.293
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
55.01858	0.8
55.05516	4.4
57.07066	0.5
60.23272	0.3
62.06073	1.2
67.05181	0.3
67.05510	5.2
69.07072	4.0
70.14864	1.2
70.79217	0.3
72.04491	0.3
79.05499	1.4
80.04979	0.3
81.07055	4.9
82.41116	0.4
83.08613	1.1
85.05284	1.7
86.06041	0.5
91.05462	0.6
93.07018	1.0
95.08614	2.7
97.10169	0.5
98.05418	0.5
98.06053	8.0
98.98451	0.6
105.07002	0.3
107.08564	0.5
109.10151	1.1
110.09690	0.3
112.07605	1.1
133.10110	0.3
138.09119	0.4
154.12245	0.3
182.15398	0.3
184.07341	0.7
193.04996	0.4
196.16977	0.4
198.78307	0.3
202.14513	0.3
222.18555	0.6
236.19969	0.4
280.46613	0.3
299.81775	0.3
306.27914	100.0
307.28183	1.1
324.28891	0.7
337.27286	0.4
478.29037	0.4
478.35156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2926
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05508	12.1
55.48896	1.9
57.03418	3.1
57.07082	2.2
62.06087	27.4
67.05506	22.6
69.07072	15.4
69.33219	15.2
69.33601	3.3
79.05481	7.6
81.07056	21.3
83.08620	7.0
91.05474	3.7
93.07038	8.1
95.08604	17.6
97.10159	2.1
98.06067	8.9
98.21472	3.7
98.98479	9.1
107.08593	3.8
109.10178	10.2
121.10132	4.3
123.11720	3.9
126.13689	1.9
135.11626	2.3
155.00975	4.6
190.66541	2.1
216.06374	4.0
263.23679	5.0
306.27896	100.0
337.27365	80.6
417.24512	2.8
460.28189	7.6
478.29114	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	478.2929
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
51.48278	0.3
51.70091	0.3
53.03934	0.6
55.01848	0.6
55.05512	11.1
57.03439	7.4
57.07084	1.7
57.43127	0.3
62.06088	0.5
65.03928	0.6
67.05505	23.0
67.84686	0.3
69.07070	15.0
69.27048	2.8
71.04986	0.9
71.08616	0.3
72.63960	0.3
73.22788	0.3
79.05495	6.0
80.70768	0.3
81.07056	23.4
83.04982	0.8
83.08620	7.8
85.05258	0.4
85.06531	0.8
85.10191	0.4
86.09729	0.3
91.05475	3.8
93.07046	6.9
95.04960	0.7
95.08608	19.0
97.06566	1.7
97.10165	3.0
98.06033	1.8
98.98453	0.5
99.08076	0.4
105.07034	2.7
107.08595	4.0
109.06518	0.4
109.09474	0.4
109.10162	6.1
111.08066	0.9
111.11700	0.6
119.08587	2.4
121.10136	2.8
123.08055	0.3
123.11700	2.4
124.01606	0.4
125.09652	0.4
126.13812	0.3
127.26720	0.3
133.10156	2.3
135.11693	1.7
137.13234	1.0
147.11679	1.8
148.76602	0.3
149.13268	0.5
161.13225	0.9
163.14896	0.4
175.14857	0.7
184.07365	0.8
194.63716	0.3
198.05235	0.5
216.06323	0.8
245.22586	0.5
263.23654	0.9
306.27899	16.2
318.38690	0.3
337.27362	100.0
338.27686	1.0
363.15152	0.4
371.40994	0.3
478.29880	0.3
489.93387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2802
Annotation	Epothilone G1
Peak:m/z	Relative Intensity
55.01854	0.7
55.05464	1.2
57.03391	1.1
57.16389	0.5
67.05500	4.3
69.07009	1.5
69.29237	3.8
69.29662	1.4
79.05495	5.7
81.03365	1.3
81.07067	4.0
83.04962	1.2
83.08585	0.9
91.05482	4.0
93.07053	6.1
95.04907	1.6
95.08540	2.1
97.06446	1.6
103.05490	0.5
105.07037	3.6
107.08514	1.7
109.10089	0.8
117.06967	0.9
119.08559	2.6
121.06451	1.3
121.10118	0.8
128.06180	0.6
129.06927	1.8
131.08545	0.9
132.05664	1.3
133.10088	1.1
134.05969	0.5
137.05949	2.8
143.08522	1.3
145.06436	0.6
145.10085	1.0
146.06007	0.7
147.06715	2.0
147.07816	0.7
147.11690	3.1
148.07619	6.1
148.11145	2.0
149.05914	0.6
149.11922	1.9
150.06659	1.0
157.06541	0.9
159.07961	1.0
160.11157	1.4
161.05936	1.1
162.05437	0.5
163.06279	1.3
163.07530	0.6
164.06932	1.0
164.13036	0.5
171.11662	1.3
174.09062	0.6
175.07532	0.7
176.07092	26.7
176.10709	36.3
177.07793	2.3
177.11475	4.8
188.10748	1.1
189.09123	1.0
189.12764	0.6
190.08618	3.3
191.09341	1.3
202.12209	1.1
204.08313	1.1
204.10190	21.9
205.10985	39.5
206.11565	1.7
207.13768	1.2
231.95523	0.6
249.13559	1.1
273.13742	0.7
281.17480	25.0
290.17453	0.7
302.17514	1.1
318.17242	0.8
319.17767	1.9
370.23755	1.6
372.21841	0.8
387.20276	1.2
398.23312	8.6
416.24329	100.0
417.24631	2.0
434.25317	1.4
442.26178	1.2
443.22974	1.3
460.26974	74.9
461.27377	1.4
478.28073	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	478.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.05294	0.7
55.05510	6.6
57.03413	0.7
57.07071	3.7
65.03931	0.7
67.05506	4.9
67.05817	0.8
69.03418	1.6
69.06725	1.2
69.07070	13.4
70.60754	1.1
73.02942	0.7
79.05493	6.2
81.03422	2.0
81.07059	11.7
83.08621	9.8
85.02904	5.9
87.00824	2.9
90.04128	0.6
91.05478	4.6
93.06482	1.2
93.07050	20.6
95.05000	1.1
95.08614	36.5
97.02898	3.0
97.06522	0.7
97.10160	4.3
99.04450	1.2
105.01875	11.1
105.07027	4.9
107.08601	52.6
109.02897	0.8
109.10159	11.6
117.49287	0.7
119.08586	2.8
121.10149	82.0
123.11703	5.9
123.40092	0.6
125.09624	2.0
127.03936	5.9
133.07617	1.2
135.11694	20.1
137.06029	0.8
137.13266	31.1
139.11176	3.8
145.04958	3.9
149.13271	8.8
151.14784	1.0
159.02928	1.0
166.82547	0.7
175.14824	1.6
177.16394	100.0
178.16766	0.8
194.44312	0.7
195.17467	24.1
214.08328	0.8
231.05067	3.6
249.06104	4.6
301.60303	0.7
416.24207	3.9
459.14484	1.0
460.26764	3.0
478.27634	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	478.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39748	0.6
53.03927	0.7
53.94133	0.6
55.05496	2.4
57.03443	0.8
60.54370	0.6
61.02917	0.7
67.05513	5.3
69.07056	1.9
70.36737	2.0
71.04978	0.8
79.05488	7.6
81.03411	1.4
81.07059	4.9
83.04977	2.9
83.08613	1.0
85.02921	0.6
85.44135	0.6
87.94478	0.6
91.05479	5.5
93.07045	7.4
93.07586	1.2
95.04948	2.3
95.08612	2.4
97.06539	3.0
97.10184	0.7
105.07025	3.8
107.04948	0.8
107.08575	2.4
109.06493	1.3
109.10159	0.9
119.08572	2.5
120.08074	0.9
121.10128	0.9
129.07001	1.9
130.06560	0.8
131.08591	1.2
132.05688	1.1
133.10152	1.2
137.05978	2.7
143.08521	1.2
145.06393	0.7
145.10072	1.0
147.06802	2.3
147.07953	0.8
147.11687	3.4
148.07574	6.4
148.11205	2.1
149.12015	2.2
158.09612	1.0
160.11191	1.1
161.05951	1.1
161.13261	1.5
163.06258	0.7
164.07080	0.8
171.11662	2.1
174.09216	0.8
176.07083	27.6
176.10704	35.3
177.07823	3.0
177.11476	4.5
182.11848	0.7
188.08194	0.7
188.10707	1.2
189.09180	0.9
189.11365	0.9
189.12825	0.9
190.08627	3.5
204.10201	20.0
205.10985	36.4
206.11725	2.2
207.13777	2.0
249.13593	1.0
273.13654	0.7
281.17474	33.1
302.17346	1.6
319.17642	1.3
370.23920	0.9
372.21722	0.7
387.19968	0.9
398.23288	8.8
416.24304	100.0
417.24747	0.9
434.25345	1.7
442.25909	1.1
460.26950	75.5
478.27899	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	477.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	19.4
57.07071	10.9
62.32496	3.3
67.05511	28.3
69.07072	27.2
70.41276	10.4
71.04995	12.6
71.08628	3.2
76.22861	3.6
77.81123	3.7
79.05502	14.4
81.07061	100.0
83.08627	14.0
91.05492	26.8
93.07052	76.6
95.04996	6.7
95.08611	92.5
97.06480	4.0
97.10178	7.4
105.07039	55.4
107.08610	57.2
109.06544	7.1
109.10159	55.2
109.10840	5.1
111.08095	8.9
111.11733	5.9
117.07030	7.5
119.08589	73.9
120.05726	2.7
121.10147	45.2
123.11700	25.5
131.08592	14.7
133.10136	33.6
135.11710	35.7
137.09641	8.0
137.13237	7.4
139.07532	5.9
142.07747	3.3
143.08568	5.6
145.10135	29.9
147.11702	30.0
149.13281	54.2
151.07570	3.5
151.11223	5.4
157.10132	10.6
159.11674	36.3
161.13257	33.8
163.14833	28.0
171.11684	11.7
173.13289	27.9
175.14841	21.2
177.16429	7.1
183.11794	3.4
185.13300	5.4
187.14868	21.7
189.16374	19.0
191.17842	6.9
199.14743	7.2
201.16422	13.8
203.17943	20.2
211.14905	4.7
213.16336	4.9
215.17963	14.2
217.19507	23.8
227.17902	6.4
229.19501	8.9
231.21101	4.9
241.19547	4.8
243.21071	5.4
250.33507	3.5
257.22684	10.4
259.24100	4.7
269.22644	5.2
285.25824	8.4
325.28748	4.5
327.30511	8.7
367.30383	3.6
419.36801	7.2
431.70554	3.1
445.36758	13.4
459.39786	13.4
462.93613	3.2
477.34222	4.8
477.40915	81.1
489.47278	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	477.2846
Annotation	Lucidenic acid H
Peak:m/z	Relative Intensity
50.61572	1.3
52.73030	1.4
55.01869	6.5
55.05513	17.7
57.03446	8.4
57.07050	2.1
59.64912	1.3
61.02919	1.7
65.03944	3.3
67.05507	27.3
69.03427	10.2
69.07080	14.3
70.05652	6.5
71.04973	3.8
71.08612	1.3
73.02930	2.0
75.04478	1.4
77.03931	1.8
79.05495	25.8
81.03426	15.7
81.07061	26.8
81.70627	1.3
83.04990	6.6
83.08624	8.0
85.02884	5.3
85.06530	2.1
91.05482	29.8
93.07050	28.3
95.04962	9.0
95.08611	18.5
97.02882	6.1
97.06559	8.4
97.10153	3.4
98.21423	2.3
99.04429	4.0
101.54066	1.5
103.03945	2.4
105.07034	25.6
107.04935	6.6
107.08593	14.2
109.02881	2.5
109.06510	2.8
109.10159	6.0
111.04431	4.2
111.08066	2.7
113.00002	1.9
115.05461	6.9
116.06274	1.6
117.07020	21.7
119.04948	1.7
119.08582	19.0
121.03457	1.5
121.06502	5.3
121.10164	7.1
123.04478	3.2
123.08105	2.8
123.11687	2.9
127.03931	2.4
128.06209	10.7
129.05513	2.1
129.07013	28.7
130.07793	2.7
131.04938	3.8
131.08571	28.7
133.06450	6.8
133.10143	12.8
135.08064	3.8
135.11696	5.7
137.05963	2.1
141.06990	15.1
142.07788	6.4
143.08569	27.8
144.05670	2.1
145.06497	10.9
145.10129	21.8
147.04422	1.6
147.06950	1.6
147.08006	7.1
147.11703	6.3
149.06004	2.9
149.09651	2.9
153.07007	5.4
154.07762	6.0
155.08563	23.8
157.06500	7.7
157.10129	23.3
158.07172	2.3
158.10890	1.7
159.08046	11.8
159.11700	14.3
161.05936	2.5
161.09621	5.5
161.13298	4.4
163.11130	2.0
165.07033	5.3
166.07817	3.4
167.08586	13.7
168.09303	3.2
169.06502	4.6
169.10129	26.1
170.10851	1.6
171.08029	10.9
171.11725	16.4
173.06070	1.7
173.09630	8.2
173.13275	6.6
175.07576	3.2
175.11226	3.7
177.09006	2.7
179.08592	5.6
180.09349	3.6
181.06516	3.4
181.10143	16.0
182.07286	2.1
182.10812	1.7
183.08070	6.1
183.11716	17.3
184.12306	1.4
185.09627	10.0
185.13297	11.1
187.07483	1.6
187.11218	4.9
187.14857	3.3
189.09131	1.6
189.12711	2.9
191.08592	2.7
193.10178	4.9
193.12012	1.8
195.08041	6.1
195.10205	1.3
195.11690	11.6
197.09624	10.5
197.13255	13.7
199.11200	5.5
199.14845	5.2
201.09192	3.2
201.12759	3.8
203.14281	2.0
205.10210	3.8
207.11765	4.5
209.09677	4.9
209.13205	7.9
210.10391	1.4
211.11234	8.4
211.14783	6.7
213.12807	7.5
213.16315	1.8
215.10703	2.4
215.14336	3.1
219.11777	2.8
221.13257	4.1
223.11227	5.2
223.14859	5.0
225.12732	8.4
225.16446	2.4
227.10660	2.2
227.14400	3.9
229.12198	2.2
233.13339	2.2
234.07974	1.4
235.14873	2.0
237.12758	4.4
239.14366	3.2
239.17969	2.0
241.12244	3.0
241.15991	2.3
241.19467	2.4
243.13853	2.4
251.14417	4.2
255.13779	2.3
255.17500	1.7
257.19107	2.5
259.20682	2.0
265.19568	1.9
269.15408	2.3
271.20538	2.7
283.20682	2.9
285.21997	2.7
295.20660	5.8
297.22067	3.2
307.20651	5.6
309.22183	2.0
311.20285	1.9
311.23618	1.7
313.21576	5.6
315.19968	1.5
321.22232	5.3
325.21719	11.1
331.20609	3.1
337.21747	6.8
339.23193	10.6
341.20551	1.4
343.22690	2.2
349.21512	20.6
357.24332	3.6
359.22125	1.8
363.25116	1.9
365.23254	1.9
367.22687	35.3
373.23639	6.9
375.25247	3.5
385.23801	23.3
387.25540	6.9
389.27390	3.0
399.25259	3.8
403.24728	3.4
411.25198	1.9
413.26715	4.7
417.26404	21.9
423.25113	5.8
429.26526	16.6
431.27658	2.9
441.26376	64.8
459.27386	64.0
477.28503	100.0
478.28809	1.9
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 H
Peak:m/z	Relative Intensity
53.03936	4.1
54.49106	1.4
55.01865	8.2
55.05514	17.7
57.03439	11.2
65.03918	2.0
67.05505	31.9
69.03426	6.4
69.07058	13.8
69.25364	12.7
71.04993	3.7
73.02920	2.0
73.72933	1.4
75.04504	1.7
79.05493	27.7
81.03415	18.4
81.07055	28.2
83.04986	5.5
83.08615	6.9
84.76112	1.5
85.02897	3.9
85.06557	1.8
91.05479	31.6
93.07036	29.8
95.04968	10.7
95.08612	20.1
97.02898	5.5
97.06519	9.4
97.10172	2.4
98.20846	4.6
98.21526	2.5
98.97562	4.0
99.04465	3.6
103.03940	3.1
103.05424	1.8
105.07035	30.8
107.04965	6.1
107.08601	13.7
109.06515	3.9
109.10155	9.3
111.04443	2.9
111.08096	1.4
112.99188	1.6
113.00039	5.0
115.03939	1.9
115.05480	5.8
116.98629	1.5
117.07021	21.6
119.04958	2.6
119.08585	17.2
121.06502	5.3
121.10156	8.0
123.04431	2.8
123.08067	1.8
123.11675	1.6
125.09615	2.0
127.00092	1.3
127.03926	2.6
128.06210	10.9
129.05533	1.8
129.07005	26.8
130.07822	3.4
131.04959	4.1
131.08572	30.3
133.06505	5.0
133.10136	12.5
135.08034	2.9
135.11728	4.6
137.06026	1.5
141.06979	16.2
142.07780	8.0
143.08562	27.7
144.09317	2.8
145.06454	11.9
145.10126	24.3
147.04433	1.6
147.08075	5.4
147.11661	8.2
149.06044	1.7
149.09673	1.8
153.07002	5.6
154.07808	5.2
155.08562	24.4
156.09364	3.9
157.06532	8.2
157.10152	23.2
158.07240	1.7
158.99730	2.5
159.08066	11.1
159.11694	16.2
161.09653	5.0
161.13275	3.3
163.11111	2.1
165.07057	6.0
166.07828	4.1
167.07227	2.4
167.08537	14.9
168.09380	4.4
169.02675	2.6
169.06467	3.0
169.10103	21.3
171.08058	12.2
171.11673	18.4
172.08813	2.1
173.09637	7.0
173.13251	7.3
175.11217	3.4
177.09175	2.8
179.07144	1.6
179.08551	7.4
180.09373	3.0
181.06497	3.6
181.10118	16.6
182.07430	2.1
182.10956	2.7
183.08055	7.2
183.11703	20.4
185.09610	11.1
185.13295	10.9
187.07585	1.8
187.11241	7.0
187.14790	3.6
189.12737	2.0
191.08688	1.7
192.09320	2.1
193.10207	5.2
194.10890	2.3
195.08092	3.8
195.11691	14.5
196.08662	1.9
197.09674	7.5
197.11739	1.5
197.13202	9.5
199.11183	9.1
199.14873	6.6
201.09213	2.4
201.12798	3.1
205.10190	2.3
207.11745	8.0
208.08746	1.8
209.09637	6.1
209.13286	8.0
211.11148	8.7
211.14873	4.6
213.09221	3.0
213.12723	6.0
215.10666	2.5
215.14316	2.7
219.11858	2.2
221.13306	4.6
223.11188	4.4
223.14975	3.3
225.09230	1.6
225.12776	7.6
225.16379	2.0
227.10672	1.9
227.14444	3.8
233.13310	2.6
235.14903	3.2
237.12790	6.5
237.16484	3.2
239.14384	3.2
241.12393	3.2
241.15944	2.1
249.12782	2.1
251.14377	5.3
251.17989	2.0
253.16074	1.6
255.13800	2.6
257.18982	2.2
259.20599	4.0
263.14398	1.9
265.16052	2.2
267.20932	2.1
274.18268	1.5
276.13058	6.2
277.21664	2.2
283.20654	2.4
285.22122	1.9
291.19519	4.9
293.05530	1.8
295.20663	5.7
297.18854	1.5
297.22171	4.1
299.20203	2.6
307.20599	5.2
309.22131	2.4
311.20090	2.6
313.21686	4.5
321.22171	5.7
325.21396	10.4
331.20535	3.6
337.21692	6.7
339.23135	8.1
340.83456	1.5
341.20996	2.0
343.22684	2.4
349.21542	21.8
351.25562	2.1
355.22940	2.1
357.24573	4.2
361.23682	3.5
363.25320	1.8
365.23300	5.9
367.22644	32.5
371.22217	1.9
373.23807	4.6
385.23792	20.2
387.25586	7.8
399.25293	3.9
402.58890	2.0
403.24930	4.0
413.26926	5.3
417.26318	19.3
423.25485	7.3
429.26407	21.2
431.28149	2.0
441.20212	3.4
441.26321	66.5
447.27386	2.0
459.21780	1.6
459.27393	55.9
477.28476	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01879	8.2
55.05267	1.8
55.05510	21.1
56.96577	1.6
57.03432	11.8
57.07064	2.5
59.04992	2.2
61.02919	4.0
63.84649	1.1
65.03940	1.6
67.05499	30.4
69.03425	12.1
69.07066	16.6
70.81055	2.0
70.81399	1.2
71.01345	2.4
71.04983	3.1
71.83540	1.1
72.90773	1.3
73.02913	3.9
79.05487	22.7
81.03419	15.5
81.07055	30.0
82.07401	1.3
83.04980	5.2
83.08622	7.2
85.02896	5.4
85.06558	2.7
87.66841	1.3
89.54266	1.1
91.05477	32.8
91.06017	2.5
92.21724	1.3
93.07045	23.6
94.07395	1.2
95.04986	10.5
95.08604	18.6
96.08957	1.2
97.02885	5.6
97.06527	5.4
97.10146	3.0
98.06053	3.0
98.97590	3.7
99.04457	3.6
103.03944	3.6
103.05515	2.1
105.07028	29.8
105.07688	2.3
107.04955	7.4
107.08591	17.0
109.02874	2.4
109.06540	2.4
109.10159	6.5
111.04414	1.7
111.08078	2.1
112.99196	1.4
113.00022	1.9
115.03896	2.7
115.05467	4.4
116.06230	1.3
117.07019	22.4
119.04998	1.5
119.08576	18.4
121.06500	6.2
121.10130	7.2
123.04429	2.4
123.08057	2.8
123.11673	2.8
125.02408	1.5
125.09631	3.2
127.03861	2.3
128.06198	9.3
129.05473	3.6
129.07004	26.0
130.07814	3.5
131.04886	2.8
131.08560	35.9
131.09529	2.1
133.06456	6.0
133.10129	13.1
135.08089	4.0
135.11629	6.1
137.05972	1.8
137.09613	2.3
141.06981	16.9
142.07762	8.6
143.08562	31.0
144.05725	1.5
145.06487	11.6
145.10118	25.7
146.07281	1.3
147.08031	6.5
147.11722	8.0
149.05971	2.0
149.13196	2.2
153.07001	5.7
154.07817	4.8
155.08551	25.6
156.09331	3.6
157.06509	8.9
157.10132	22.9
158.07368	1.8
159.08054	11.9
159.11688	14.3
161.09601	5.0
161.13295	4.2
163.11186	2.6
165.07024	4.2
166.07826	4.0
167.08568	13.6
168.09370	3.4
169.06488	3.6
169.10121	21.8
170.07350	1.4
171.08064	11.6
171.11668	19.3
172.08777	2.2
173.09586	9.6
173.13245	6.7
175.07553	2.5
175.11191	3.4
177.09113	3.0
179.08513	6.1
180.09357	2.4
181.06483	3.3
181.10129	12.6
182.10925	2.2
183.08087	7.9
183.11679	17.6
185.09608	9.7
185.13255	10.1
187.07506	2.3
187.11143	7.7
187.14845	3.2
189.12770	2.7
191.08524	1.8
193.10118	5.0
195.08055	5.7
195.11691	10.9
196.08794	2.0
197.09598	9.6
197.13272	11.2
199.07471	2.3
199.11176	8.8
199.14844	5.0
201.09039	3.1
201.12730	5.7
203.08626	1.6
205.10089	2.0
206.11008	1.9
207.11656	7.0
208.12453	1.6
209.09662	5.6
209.13249	8.5
211.11194	8.4
211.14742	6.8
213.09196	2.0
213.12788	6.7
215.10638	2.1
215.14314	2.6
217.12230	1.4
219.11707	2.0
221.13266	4.4
223.11224	5.5
223.14865	3.5
225.12721	5.2
225.16391	1.9
227.10600	2.3
227.14360	4.8
229.12242	2.7
233.13239	1.9
235.14845	2.0
237.12779	5.0
237.16406	2.1
239.14282	5.0
239.18054	1.9
241.12231	1.4
241.15981	2.0
243.13953	2.0
251.14374	2.9
251.17955	1.9
257.19016	3.9
259.20691	2.6
269.15341	1.7
269.18869	3.0
271.20532	2.9
273.18561	1.7
276.13055	2.6
277.21866	1.5
279.20953	1.6
281.19086	2.2
283.17001	1.8
283.20361	1.9
285.22208	2.5
291.19336	2.8
295.20551	3.9
297.18564	1.8
297.22159	4.1
299.20096	1.7
301.21667	3.2
304.26398	5.4
305.26605	31.4
307.20639	4.5
309.22119	1.6
311.20004	2.1
313.21603	7.4
315.23175	1.4
321.22104	4.9
325.21536	10.7
327.23593	1.6
331.20468	3.0
337.21725	5.4
339.23099	10.9
341.21063	1.8
343.22711	4.4
345.19177	1.2
345.24237	2.3
347.22571	1.4
349.21414	17.0
351.25137	1.5
355.22711	2.5
357.24243	4.3
361.23697	3.5
365.23325	3.8
367.22678	35.6
373.23755	5.6
375.25677	2.0
385.23654	20.1
387.25247	6.8
389.27249	2.4
399.25299	5.3
399.30026	1.5
403.24805	5.2
411.25287	2.6
413.26697	3.7
417.26315	17.9
423.25134	7.7
429.26346	16.3
431.27939	1.5
441.26352	63.4
442.26950	1.8
447.27911	1.7
459.27405	66.1
460.27487	1.8
477.28442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
55.05516	1.0
56.30252	0.6
57.07103	0.6
59.28764	0.7
61.02911	0.7
67.05494	1.3
69.03436	1.1
69.07071	12.1
70.06586	1.4
71.10481	1.4
79.05480	1.5
81.03408	2.0
81.07049	1.8
83.05012	0.7
84.08140	3.6
85.02907	2.4
86.09708	100.0
86.21542	0.6
91.05499	2.1
93.07062	1.5
95.04986	0.7
96.08125	1.0
97.02926	0.7
97.06496	0.9
98.09716	0.8
98.97569	0.8
99.04459	1.9
105.07051	1.5
106.06576	0.9
107.04957	1.0
107.08580	1.0
109.10184	0.8
113.05965	0.7
115.05431	1.1
116.98678	0.7
117.07017	2.9
119.04976	1.5
119.08641	0.5
126.10052	0.6
127.03903	0.6
131.08514	0.7
132.07237	0.8
132.08076	3.6
133.06496	1.6
133.10173	1.0
134.06058	1.7
135.06870	0.7
135.08075	0.8
137.05984	1.1
137.25354	0.7
143.04929	1.0
145.06479	11.4
147.04427	6.8
147.08101	0.9
148.07590	1.5
149.05972	1.4
152.68420	0.6
154.15942	4.4
157.24272	0.7
160.07585	54.3
161.05998	1.2
162.09135	3.5
163.07651	0.7
163.11177	0.9
164.07043	3.3
168.43637	0.6
169.01250	0.6
171.04417	6.3
173.06047	1.0
177.05382	0.9
177.10233	12.3
178.08734	1.8
188.07114	1.8
189.05469	17.0
199.18056	8.3
206.08128	52.1
223.10786	42.8
227.17613	7.8
230.15421	1.0
245.16583	4.6
246.14908	3.6
247.18060	1.9
252.09546	0.8
270.52255	0.6
273.16025	1.1
274.14417	2.6
290.18631	6.3
291.17041	12.6
291.20163	1.0
301.15460	5.9
318.18439	0.9
319.16531	31.6
332.11212	0.9
335.06183	0.8
336.19162	35.8
346.17581	1.9
347.16077	3.7
364.18668	15.6
364.22952	1.1
405.28629	0.7
416.24902	0.8
431.26547	8.0
432.24951	14.6
449.27597	21.5
459.14822	0.8
459.26071	2.6
460.24417	7.3
477.27237	30.0
478.28030	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.01870	0.7
55.05508	7.8
57.03438	4.5
57.07062	1.6
62.06065	1.2
65.03938	1.3
67.05506	30.5
67.67555	0.5
69.07072	4.9
69.60488	0.5
69.86860	3.4
71.04995	1.1
79.05494	16.0
81.03380	0.8
81.07059	28.2
83.08607	2.6
91.05482	9.7
93.06482	1.0
93.07044	18.2
95.04956	1.7
95.08608	17.6
96.42757	0.5
97.06518	3.7
97.10189	1.2
98.06042	1.5
99.08108	0.7
105.07040	6.2
107.08600	9.3
109.10143	5.0
112.49240	0.5
116.12967	0.6
117.07011	2.4
119.08563	2.9
121.10145	5.7
123.11702	2.5
131.08559	5.4
133.10110	2.3
135.11690	3.6
137.05940	1.9
137.13214	1.2
143.38673	0.5
145.10135	2.9
147.11705	2.1
149.09589	0.8
149.13254	2.3
159.08041	1.1
159.11688	1.4
161.13261	1.5
163.14798	0.8
173.09601	0.7
173.13281	1.6
177.09084	1.3
187.14893	0.7
216.06279	1.1
224.67981	0.6
243.21140	1.6
261.22205	1.8
278.99231	0.7
302.17511	1.5
304.26288	10.9
305.21158	1.2
317.24567	0.9
335.25793	100.0
336.26138	0.9
458.25552	1.2
476.26266	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	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
54.65121	1.3
55.01868	2.1
55.05515	9.7
55.98069	1.4
57.03442	3.9
57.07060	3.2
62.06087	49.2
63.82720	1.6
67.05502	30.7
69.07069	9.8
70.49684	5.5
71.08611	1.8
77.76740	1.6
79.05493	26.3
81.07053	31.2
83.08596	3.0
91.05481	22.9
93.07035	30.2
95.04955	2.3
95.08604	21.6
97.06523	14.1
97.10153	2.8
98.06054	3.0
98.21405	2.0
98.98456	11.5
105.07032	14.8
107.08600	15.1
109.06561	1.9
109.10157	6.2
117.07005	5.3
119.08571	12.8
119.59811	1.6
121.10144	11.6
123.08100	1.7
123.11658	3.3
124.01551	1.9
131.08546	14.7
133.10107	10.2
135.11653	7.0
137.06067	2.4
142.02553	2.2
145.10049	3.6
147.11670	5.7
149.05913	2.2
149.13264	4.3
154.58199	1.7
155.01035	3.9
157.10188	1.6
159.08046	6.4
159.11676	4.3
161.13248	4.4
163.06284	1.6
163.14827	5.8
164.07098	1.8
173.02116	4.5
173.09676	2.0
173.13264	5.0
175.14841	4.9
177.09152	7.8
177.16344	1.9
187.14857	2.6
198.05305	3.1
216.06284	8.4
243.21075	13.6
261.22092	26.2
302.17447	5.0
304.26340	13.5
316.18994	3.3
317.24783	16.0
335.25778	100.0
344.18729	2.4
415.22305	12.0
436.55112	1.8
458.26520	12.0
476.26782	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	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.6
57.03440	3.9
59.76953	1.5
62.05787	2.5
62.06091	34.9
67.05506	30.3
69.07079	8.5
71.16621	1.5
71.17024	4.1
79.05495	17.0
81.07059	21.3
83.08606	3.8
85.05287	2.6
91.05484	10.7
93.07049	20.4
95.05009	1.8
95.08608	19.1
97.06532	4.0
98.06038	5.1
98.98457	7.8
105.07011	7.0
106.17627	1.5
107.08587	9.8
109.10160	7.4
117.06994	2.3
119.08571	5.1
121.10159	7.6
124.01617	1.9
126.54211	1.5
129.87158	1.6
131.08545	3.1
133.10143	5.2
135.11679	3.6
142.02600	1.8
145.10104	3.1
147.11684	2.6
155.01004	3.6
160.75975	1.7
160.81691	1.7
173.02116	2.5
198.05241	2.0
204.05991	1.7
216.06427	4.0
239.32553	1.8
243.21124	2.0
259.83020	1.7
261.22220	5.9
304.26337	59.4
317.24878	1.8
335.25784	100.0
358.16422	2.9
415.22409	2.3
458.26599	6.6
476.27783	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	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.0
57.07070	0.5
62.06069	2.1
65.03934	0.6
66.86836	0.5
67.05508	11.8
69.07069	4.0
70.06575	0.4
70.37777	0.5
70.95095	1.5
79.05495	4.2
79.51167	0.6
81.07061	9.5
82.06573	0.5
83.04977	0.5
83.08598	1.3
85.05283	2.3
86.06057	0.9
91.05475	2.1
93.07047	4.8
95.08607	6.4
97.06528	0.7
98.06058	10.1
98.98446	1.5
105.07008	1.6
107.08566	1.7
109.10122	2.2
112.07608	1.9
119.08564	0.6
121.10124	1.5
126.09187	0.6
131.08632	0.7
133.10132	0.6
135.11653	0.9
140.10704	0.8
147.11658	0.7
149.13232	0.6
149.31451	0.5
151.86156	0.5
154.12204	0.5
182.15446	0.5
194.15378	0.6
196.16765	0.5
204.12933	0.5
208.16989	1.1
218.15268	0.6
218.93315	0.5
222.18507	1.3
236.20036	0.8
261.22116	0.5
304.26352	100.0
305.26825	0.8
335.25793	2.7
476.27423	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.2
55.01867	0.7
55.05270	0.5
55.05511	7.8
57.03443	5.7
57.07058	0.4
65.03943	1.3
67.05504	26.2
69.07070	7.4
71.04990	0.7
71.07472	0.4
71.07829	0.6
72.13042	0.4
79.05492	14.1
81.07056	23.2
83.04982	1.1
83.08627	1.9
91.05479	6.0
93.06483	0.9
93.07048	14.9
95.04959	1.0
95.08606	18.5
97.06538	4.9
97.10166	0.7
98.06020	1.1
105.07037	3.7
107.08589	6.0
109.10159	6.3
111.08092	0.6
113.98798	0.4
117.07020	1.2
119.08562	3.0
119.51191	0.5
121.10143	6.2
123.08061	0.5
123.11691	1.7
124.01620	0.5
131.08594	2.8
133.10136	1.7
135.08047	0.5
135.11696	3.3
137.13272	0.5
145.10078	1.4
147.11642	1.4
149.05972	0.4
149.13290	1.2
159.08032	1.1
159.11655	0.9
161.13281	0.9
163.14827	0.5
165.46611	0.4
173.09724	0.5
174.09116	0.4
175.14807	0.5
177.09108	1.5
216.06294	0.6
261.22144	1.1
272.12808	0.8
273.14883	0.7
274.17966	0.4
300.15927	1.4
302.17432	2.2
304.26343	12.0
335.25790	100.0
336.25998	0.8
344.18634	4.2
362.19504	0.5
476.26489	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.01867	2.9
55.05498	7.5
57.03432	2.4
59.17795	1.5
61.02924	3.3
65.05132	1.6
67.05508	27.5
68.99786	2.3
69.03436	22.8
69.07071	16.0
69.27100	15.8
69.31049	1.5
71.04980	4.7
73.02890	1.7
79.05503	7.9
81.03422	13.6
81.07055	21.2
83.04974	3.4
83.08619	3.7
85.02908	61.1
87.00830	27.5
91.05463	9.4
93.07046	11.3
95.04939	2.1
95.08609	47.2
97.02886	17.8
97.06517	5.1
97.10143	3.3
98.21163	8.1
99.04449	6.2
101.09781	1.7
105.01867	86.4
105.07015	13.4
106.02825	1.7
107.08596	21.7
109.02872	18.8
109.06498	9.4
109.10160	85.3
111.08045	6.4
119.08575	41.4
120.09310	1.8
121.10152	67.8
122.07294	2.1
123.00805	2.5
123.08063	25.3
123.11686	6.2
124.03963	4.2
125.02365	3.8
125.09634	2.9
127.02963	2.4
127.03922	45.5
129.01830	2.4
133.10135	23.1
135.11697	92.8
137.05930	1.7
137.09619	100.0
138.10391	3.1
139.11188	25.2
145.04956	29.4
147.11691	4.8
149.13248	25.2
151.11073	2.2
151.14798	10.9
159.02931	3.6
165.16374	2.0
169.01251	2.4
175.14824	53.3
178.86397	2.0
185.44435	1.8
189.03862	2.5
193.15881	87.2
198.11311	5.1
199.53410	1.6
213.03906	5.0
216.12199	2.3
219.33745	2.0
231.05013	32.4
249.06056	23.4
290.63345	1.7
291.26617	1.8
302.17621	3.0
314.19424	2.8
327.02917	1.8
337.20047	3.2
346.20450	2.2
355.66711	2.0
379.21088	2.9
405.19101	4.1
423.20023	3.5
440.24088	1.7
476.26190	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	476.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17604	0.6
53.03940	1.1
55.01883	0.9
55.05503	1.6
55.55455	0.8
59.17708	0.7
59.38186	0.6
61.02906	0.7
69.03412	2.9
69.07071	6.0
71.07600	1.7
71.08613	0.9
79.05531	0.7
81.03421	3.5
81.07043	2.7
83.08623	0.8
84.91065	0.8
85.02905	5.6
86.06068	2.1
87.00830	2.8
91.05470	2.2
93.07029	1.6
95.08594	3.2
97.02884	2.9
99.04440	1.2
105.01873	2.2
105.07030	7.0
107.08609	2.4
109.02872	2.4
109.06538	1.0
109.10161	1.5
111.08054	1.0
117.07043	0.7
119.08582	29.4
121.10144	2.4
124.03969	1.9
127.03925	2.9
131.08551	0.9
133.10138	27.0
135.11719	1.0
145.05020	2.0
145.10208	0.9
147.11678	4.1
159.02861	1.0
160.12459	0.9
169.01418	0.8
170.11685	1.2
175.14827	100.0
193.15958	3.6
198.11250	12.3
216.12302	7.5
230.80278	0.8
231.05081	0.9
476.25876	1.3
476.32666	1.1
485.88681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90207	0.4
53.03934	0.8
55.05513	2.8
57.07058	2.0
58.46062	0.4
67.05504	6.0
69.07070	4.7
69.64135	2.7
74.24231	0.4
79.05492	1.6
81.07061	5.5
83.08611	1.2
85.02908	1.0
85.06564	1.0
85.94829	0.4
89.03149	0.5
91.05476	4.2
93.07037	3.9
95.08611	16.8
97.02895	0.5
97.06492	0.7
99.04456	1.0
105.07034	8.9
107.08601	4.3
108.08854	0.6
109.06516	0.9
109.10159	20.0
117.07012	1.1
119.08586	41.5
121.10140	2.4
123.08073	0.5
123.11709	1.5
129.11444	0.5
131.08597	1.3
133.10135	48.4
134.10974	0.8
135.11699	9.3
137.09625	8.4
145.10127	2.8
147.11700	10.6
149.13293	3.3
151.14816	4.6
160.12500	2.0
163.54834	0.4
173.13245	0.8
175.14830	100.0
176.15149	0.9
193.15887	32.5
210.15642	0.6
227.16356	0.8
228.16632	0.9
296.77618	0.5
297.40018	0.5
335.50287	0.6
354.81427	0.4
458.25635	0.6
476.26364	1.6
476.67523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.7
53.33974	3.1
55.05522	4.6
57.03435	9.0
67.05507	7.3
69.03426	28.9
69.07064	7.4
69.37512	24.8
71.05003	6.9
72.35707	4.3
77.46773	3.7
79.05496	4.5
81.03404	10.7
81.07053	13.3
83.08612	4.2
85.02908	49.7
85.06532	7.3
85.08595	3.4
87.00857	17.9
91.05489	7.8
93.07050	10.3
95.04972	53.3
95.08606	17.3
97.02880	17.9
97.06536	20.1
98.97616	5.0
99.04455	14.0
105.01881	18.7
105.07035	20.6
107.08620	19.1
109.02893	7.3
109.06526	31.5
109.10152	13.4
111.08072	4.9
115.07572	12.2
119.08594	14.8
121.10137	23.5
123.08089	9.9
125.09592	4.8
127.03905	21.3
131.08577	11.9
133.10118	47.2
135.08040	8.0
139.07567	3.4
145.05005	7.4
146.13228	4.3
147.11691	35.6
149.09631	6.6
149.13297	5.1
151.11134	4.4
153.09106	29.6
163.14813	5.0
165.12758	10.7
173.13263	16.7
177.00630	4.3
177.11169	4.1
181.08626	4.7
187.86359	4.0
191.03893	4.1
191.14334	40.5
209.15392	100.0
227.16444	89.6
231.05176	4.7
310.08801	3.7
475.20941	4.9
475.25983	5.5
479.03455	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
57.03437	23.1
59.04996	4.9
60.04527	2.5
61.02910	2.9
63.25908	1.3
65.03940	1.3
67.05495	1.5
69.03430	74.1
70.81586	1.3
73.02912	2.7
79.05495	1.9
81.03409	6.0
85.02905	57.4
87.04469	54.4
91.05481	3.0
93.07026	2.4
97.02892	61.1
97.06528	1.8
99.04476	2.4
99.08112	1.7
105.07014	8.4
109.02884	3.2
115.03932	85.1
115.39504	1.2
119.08575	2.8
121.10154	2.2
123.00857	2.0
124.03942	11.8
124.05170	9.4
125.02464	1.5
127.03917	8.6
129.07060	1.8
133.04967	100.0
133.06389	7.7
133.10124	2.4
137.05969	15.3
141.01720	1.6
144.06596	1.7
145.04979	8.4
147.04372	1.3
150.07629	10.4
153.05447	1.8
162.07706	1.6
164.07016	2.5
165.09111	35.9
165.12817	1.5
169.01299	3.3
175.14845	3.4
177.09047	1.8
180.14330	1.4
189.09142	2.4
198.11290	5.8
199.07573	1.4
201.09073	3.8
205.06973	1.7
205.08737	2.1
209.15263	1.7
216.12379	4.4
220.13336	2.0
227.63028	1.6
231.10237	3.0
241.07100	2.0
243.10103	2.6
259.08090	2.0
261.11105	1.8
277.09283	2.9
295.10275	1.8
302.17462	2.8
404.16794	1.4
458.21255	2.1
476.26328	4.2
476.32782	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
53.80261	2.0
55.01856	5.9
55.05505	6.9
56.96553	2.6
57.03425	7.0
59.04990	3.2
61.02922	2.7
67.05483	5.8
68.99768	2.2
69.03085	1.9
69.03434	23.8
69.07055	6.9
70.06598	3.2
70.51559	3.8
70.51923	3.2
71.04996	7.8
73.02894	4.6
79.05492	6.3
79.10310	1.6
81.03420	13.8
81.07050	15.6
83.04985	3.7
83.08617	6.1
85.02442	3.1
85.02913	46.9
85.06527	4.4
86.09691	2.8
87.00832	25.8
91.05469	10.3
93.07040	15.8
95.04974	64.1
95.08601	11.7
97.02894	16.8
97.06535	25.6
98.20876	2.1
98.97568	3.3
99.04461	18.5
99.08085	4.7
105.01871	21.0
105.07034	18.2
107.08604	17.0
109.02896	10.2
109.05785	2.9
109.06519	40.0
109.10146	12.1
111.08060	5.4
115.07571	11.3
117.07024	1.8
119.08595	10.7
120.08220	1.6
121.10146	21.2
123.08062	7.1
123.11690	4.5
125.05965	3.1
125.09658	4.1
127.03934	25.1
127.07577	2.8
129.01897	2.0
131.08578	10.6
133.10138	51.0
135.08058	8.7
135.11688	5.7
137.05989	2.8
137.09608	2.0
139.11137	4.6
145.04958	9.4
145.10081	3.2
147.11702	36.1
149.13240	5.5
151.07539	2.9
151.11160	4.2
151.94257	1.7
153.09116	37.1
158.10899	4.0
159.02890	4.6
161.05972	1.8
163.11139	2.6
163.14804	6.2
165.12730	7.4
167.14354	2.7
171.10150	6.1
173.13255	28.2
175.14851	1.9
191.14308	38.7
209.15369	100.0
227.09270	2.0
227.16418	90.7
231.04971	5.6
249.06068	1.8
311.11749	2.8
336.08820	1.6
337.07138	1.8
475.15643	2.7
475.21844	2.3
475.25388	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	0.7
56.64788	0.5
67.05414	1.5
69.57970	2.6
69.58385	1.2
79.05400	2.0
81.03342	1.4
81.06965	2.3
81.07384	0.6
83.04923	0.6
91.05392	1.9
93.06953	1.6
95.08545	0.7
97.06466	1.3
98.20753	1.0
105.06930	1.3
107.08508	0.8
119.08493	1.0
120.08045	0.9
120.62703	0.5
121.06410	1.1
129.06929	1.0
130.51865	0.5
131.08467	1.3
132.05569	0.6
134.05939	0.6
134.09612	1.1
137.05928	1.4
143.08502	0.6
145.06395	1.1
146.05913	1.3
147.06793	5.0
147.07881	0.9
147.11552	0.7
148.07578	6.5
148.11102	2.2
149.05893	0.9
149.11926	1.4
150.06680	0.7
157.06410	0.9
157.10017	0.6
158.05931	0.7
158.09529	0.7
159.08025	1.1
160.07579	0.6
160.11079	1.4
161.05913	1.2
163.06245	1.1
164.06956	1.0
171.07961	0.7
173.05850	0.6
175.07524	1.0
176.07076	23.5
176.10699	41.0
177.07874	3.9
177.09184	0.9
177.11452	5.0
187.07552	0.9
188.10556	1.9
189.09074	0.6
189.11458	0.7
190.08629	2.8
202.12202	2.2
204.10190	30.5
205.10982	28.5
206.11818	3.1
238.11470	0.5
242.11436	0.9
250.66623	0.5
256.13281	0.5
275.81467	0.6
352.22934	0.5
370.23837	0.9
380.22141	1.2
384.25497	1.0
386.23178	3.2
388.21182	1.0
398.23389	1.8
401.21960	3.6
402.22455	0.8
412.24872	13.8
427.18295	0.5
430.25894	100.0
431.26309	1.6
456.27478	0.9
474.28534	84.2
475.28967	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80512	0.6
56.96295	1.0
56.96563	12.6
69.03429	1.0
69.48685	3.9
71.95240	1.1
73.02914	0.6
78.27440	0.5
82.31378	0.6
82.41698	0.6
84.96019	3.6
85.02925	1.2
85.68279	0.6
97.02890	0.6
97.96792	1.9
98.97585	100.0
102.97073	0.7
110.97570	14.3
112.99149	2.4
116.98621	34.2
124.99084	0.8
128.98610	11.3
131.00186	2.4
133.03474	1.4
134.99654	6.8
138.05521	1.3
139.00809	0.6
140.00249	1.1
140.98552	1.0
143.00180	2.1
144.98128	1.0
146.99669	3.7
147.04449	0.8
149.01207	0.9
152.98669	0.7
158.01385	0.6
158.99663	20.9
161.01242	2.2
161.02699	0.6
162.99147	0.5
163.66982	0.6
170.99681	2.6
172.94354	1.5
175.04529	0.7
177.00725	14.3
179.00139	0.8
189.00757	2.1
193.98866	1.6
195.01756	1.4
195.03394	1.3
201.00774	1.7
201.06056	0.8
201.99321	0.7
204.08755	0.6
204.74756	0.6
208.00427	1.2
209.01190	1.1
211.04550	0.6
211.99985	3.0
213.04269	0.7
214.95418	1.4
217.05638	0.7
219.01758	22.3
220.00505	1.4
223.02890	3.4
226.01552	1.6
227.02209	4.3
230.00999	0.7
232.96475	1.5
235.02802	10.3
237.02769	29.4
238.01482	5.2
241.03873	7.2
245.03336	2.0
246.99863	1.2
248.96056	0.9
250.97533	0.7
251.02333	5.1
253.03809	10.3
255.01701	0.7
255.05664	0.8
256.02573	1.8
256.96500	1.3
259.04907	1.1
260.02109	1.9
260.04636	0.9
267.02042	0.7
269.03357	16.5
271.04907	6.3
272.95963	0.8
274.97495	6.4
277.03824	10.6
278.03217	0.8
279.05508	1.7
281.03183	1.0
287.04462	1.3
292.98575	2.6
295.04868	10.9
295.08347	1.3
306.93280	0.8
311.04373	9.4
313.06036	2.3
325.05997	0.8
330.98077	0.7
337.06082	3.0
355.07159	1.3
357.08405	0.8
367.07227	0.8
372.99469	1.2
397.08078	1.1
415.09125	75.5
416.09903	0.9
432.97015	1.2
433.10187	36.2
439.12488	2.3
456.11832	1.5
475.11261	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	473.3628
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
52.06195	2.4
52.77177	2.3
53.03914	3.2
53.96133	2.5
54.63932	2.6
55.05507	6.2
57.07078	2.5
58.25056	2.3
59.26350	2.6
61.02920	5.2
66.69588	2.6
67.05505	14.5
69.03422	4.6
69.07065	19.5
71.08613	3.1
71.56797	5.1
73.02921	4.1
75.25059	2.5
79.05478	8.3
81.03410	3.1
81.07059	20.4
82.33627	3.2
83.08624	14.1
84.05348	2.4
85.02857	6.5
91.03931	3.3
91.05453	12.0
93.07057	19.6
94.94517	2.5
95.08047	4.6
95.08608	53.8
97.02874	4.3
97.10171	5.9
105.07027	26.9
107.08592	41.3
109.10162	28.3
119.08582	32.8
119.15028	2.5
121.10146	39.6
123.11694	9.0
131.08553	9.0
133.10141	31.4
135.11693	23.4
137.09648	3.4
137.13269	3.2
145.10129	18.7
147.11705	27.9
149.13271	14.4
151.11284	2.6
157.10109	4.2
159.11687	14.2
161.13258	18.5
163.11191	9.9
163.14842	16.5
167.10684	2.7
171.11723	3.1
173.13272	8.2
175.14825	18.8
177.12770	4.8
177.16391	29.4
179.14221	3.4
184.07376	3.0
187.14824	22.3
189.16377	60.5
191.17952	14.5
201.16347	16.5
203.16043	4.9
203.17955	100.0
205.15881	42.1
205.19510	8.6
207.17450	25.1
215.17912	7.9
219.17502	5.7
221.18988	3.9
223.16884	4.3
235.16985	3.6
236.15150	2.6
247.16901	2.9
249.18449	11.4
311.25751	8.6
391.33350	8.0
409.34705	98.3
427.35846	7.5
437.34219	21.5
455.35547	4.0
473.28897	2.2
473.36310	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	473.3629
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
51.46695	1.9
54.47342	1.7
55.05499	6.7
67.05480	7.8
69.07066	9.7
73.55386	1.8
79.05479	7.1
81.07052	14.8
83.08601	5.4
85.02876	2.7
91.05472	7.4
93.07057	12.4
95.04967	2.8
95.08610	33.8
97.10178	4.3
98.21522	5.2
101.42538	1.9
105.07031	15.3
107.08594	40.2
109.08585	2.1
109.10159	16.7
117.07048	2.0
119.08578	25.6
121.10147	26.4
123.11750	3.9
131.08597	3.2
133.10129	21.6
135.11717	17.6
143.08514	2.4
145.10141	16.1
147.11699	16.0
149.09615	3.0
149.13245	8.6
151.11197	2.1
159.04468	2.0
159.11671	10.9
161.13254	10.3
163.11203	14.8
163.14793	6.3
173.13272	4.7
175.14853	11.7
177.16402	24.9
179.14290	3.3
184.07410	2.1
187.14780	16.7
189.16393	43.0
191.17928	4.4
201.16376	5.8
203.17970	32.0
205.15881	100.0
205.19582	3.7
207.17468	19.1
213.16357	2.0
215.17944	4.5
219.17473	3.6
249.18517	10.8
295.24133	3.4
313.25244	6.3
327.73370	2.0
365.34821	1.7
391.33887	2.4
409.34683	38.8
413.26315	1.9
427.35672	6.4
437.34210	18.4
473.26956	4.1
473.36456	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	473.3625
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
53.03963	5.2
55.05501	13.9
55.92707	4.6
56.96556	7.9
59.06115	11.3
59.78451	4.8
67.05490	18.6
69.07065	23.5
70.60968	12.5
79.05496	8.5
81.07047	24.8
83.08603	9.9
85.02923	7.4
86.01443	5.0
86.09699	8.4
91.05463	20.6
93.07047	33.6
95.08613	59.8
97.02820	4.6
99.08089	18.7
104.10728	20.0
105.07022	35.6
107.08588	60.1
109.10165	37.4
110.07163	10.0
119.08585	56.2
121.10147	42.0
123.11710	7.5
131.08569	33.0
133.10132	51.8
135.11685	37.6
136.93044	7.0
145.10149	36.1
147.11691	54.9
148.80763	4.8
149.13232	15.8
154.94122	10.1
157.10164	10.5
159.11681	24.3
161.13255	21.3
163.14786	16.2
172.95319	8.9
173.13235	16.2
175.14819	10.5
177.16483	5.8
184.07375	6.6
187.14836	47.6
189.05568	6.4
189.16362	16.9
191.17949	100.0
199.14789	6.0
201.16362	75.6
203.17886	26.0
207.17445	7.1
210.96770	7.2
215.17955	8.3
217.19492	13.5
219.17461	19.0
228.97842	6.2
229.15581	5.7
271.65628	6.5
302.13742	7.4
319.19635	6.5
352.15524	5.5
374.68808	4.6
385.73138	5.3
391.33521	14.2
409.34821	40.9
427.35565	8.1
437.34189	14.6
455.35217	68.8
472.81970	9.8
473.19101	33.8
494.08084	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	473.3628
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
50.16686	0.7
53.23603	0.7
54.50274	0.7
55.05518	3.1
57.07065	1.2
67.05507	3.9
69.07072	5.2
71.43050	1.1
76.31509	0.6
79.05480	3.7
81.07066	9.6
83.04974	0.8
83.08617	2.8
91.05482	4.1
93.07050	9.3
95.04952	0.6
95.08067	0.9
95.08613	16.8
97.10178	1.4
105.07031	7.8
107.08605	16.3
109.06523	1.5
109.10159	8.0
111.08088	1.4
117.07027	1.4
119.08589	13.9
121.10152	9.7
123.08087	3.9
123.11742	3.8
131.08571	4.4
133.10136	11.4
135.11693	13.6
137.09615	1.0
137.13284	1.1
143.08549	1.4
145.10127	8.2
147.11688	11.5
149.13261	5.2
151.11209	1.5
157.10159	2.0
159.11702	6.7
161.13266	6.6
163.14830	4.8
165.12758	0.9
171.11710	1.9
173.13278	5.8
175.14809	5.0
177.12704	1.1
177.16405	2.4
177.90341	0.8
185.13306	2.2
187.14819	8.5
189.16412	15.2
191.17943	2.6
197.13173	0.7
199.14861	2.0
201.16402	17.0
203.17972	10.5
205.15910	6.4
207.17451	14.2
211.14833	1.3
213.16400	2.1
215.17941	6.2
217.19534	1.4
219.17468	2.6
221.19035	1.8
227.17944	1.1
229.19545	2.4
233.15332	1.0
233.19130	1.0
235.16829	0.8
241.19548	2.1
243.21193	2.0
247.16963	7.8
249.18539	1.1
255.21103	5.8
257.22650	1.4
269.22733	2.3
287.20068	0.9
301.21753	3.2
303.23254	1.9
315.23193	2.5
331.26266	5.8
353.36209	0.8
357.27859	3.6
366.95731	0.7
391.33621	2.0
409.34912	5.5
427.35797	100.0
428.36166	1.6
437.34238	7.6
455.35226	6.0
473.36343	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	473.2876
Annotation	Paeonenoide A
Peak:m/z	Relative Intensity
55.05516	0.7
67.05497	1.4
68.06622	0.4
69.03433	0.6
69.07060	1.0
69.85529	1.6
79.05492	1.0
81.03449	0.4
81.07051	1.7
83.08600	0.5
85.06549	0.4
91.05482	1.1
93.07043	1.4
95.08617	2.2
98.20846	0.6
98.98425	0.5
105.07035	0.9
106.46867	0.4
107.08604	1.6
109.10156	1.1
119.08592	1.4
121.10143	1.4
133.10161	0.9
135.11662	1.0
136.99968	0.5
145.10121	0.7
147.11728	0.8
155.00961	0.5
159.11644	0.5
184.07330	0.5
187.14836	0.6
189.16417	0.5
205.15945	1.0
207.17363	0.5
299.26749	0.5
317.98010	0.5
337.27240	0.5
427.36035	3.3
473.28741	100.0
474.29099	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3623
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
53.00329	0.6
53.03936	1.0
54.16109	0.6
55.05510	9.8
57.07079	0.7
62.81855	0.6
65.03950	1.2
67.05136	0.9
67.05505	19.1
69.07066	7.9
70.45108	1.6
71.04993	1.2
73.06569	0.7
79.05495	11.7
81.07056	21.1
83.04962	1.4
83.08625	4.8
85.06525	0.8
89.97329	0.7
91.05485	19.5
93.07047	12.3
94.33074	0.6
95.04958	1.1
95.08610	19.8
95.63856	0.6
97.06507	1.5
97.10173	2.2
103.05453	0.9
105.07037	23.1
107.08588	9.9
109.06548	0.7
109.10155	9.0
109.10841	0.9
111.08125	0.7
113.33056	0.7
117.07012	8.5
119.08581	20.9
121.10164	5.9
123.11700	2.4
129.07004	2.9
131.08560	13.9
133.10135	13.7
135.08073	0.7
135.11691	3.8
141.06999	1.3
143.08609	3.8
145.10132	10.6
147.11694	9.6
149.13254	1.2
155.08577	1.0
157.10132	2.8
159.11694	5.9
161.09650	0.8
161.13252	4.4
169.10127	1.6
171.11693	3.2
173.13240	5.6
175.14853	2.3
181.10205	1.1
183.11716	1.1
185.13306	1.5
187.14883	2.2
197.13196	1.0
199.14763	1.6
209.13371	0.8
209.15370	1.0
211.14835	1.2
213.16360	1.0
223.16881	1.2
235.16933	0.8
247.16978	1.0
261.18549	0.6
271.20377	0.7
275.20087	1.8
285.22446	0.9
289.21707	2.4
299.20282	0.7
299.23715	0.9
303.23193	3.0
317.24768	2.1
325.25195	1.1
331.26123	1.8
336.03394	0.7
412.67639	0.7
419.33136	1.6
437.34161	8.8
455.35220	7.8
473.36295	100.0
474.36719	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84822	1.5
55.01863	1.6
55.05504	3.4
57.07070	3.8
61.13553	1.4
65.03943	1.7
67.05508	26.1
69.03441	7.6
70.06590	1.8
71.04996	2.9
79.05484	3.6
80.06264	2.1
81.03423	6.1
81.07047	3.4
83.04971	2.3
85.02914	16.2
85.06554	14.1
86.09730	2.6
87.00822	6.6
91.05473	2.3
93.06544	1.6
93.07020	8.6
95.04969	4.1
95.08612	100.0
97.02905	5.4
98.20795	3.8
105.01883	11.1
105.07013	8.8
105.36403	1.7
107.08589	14.1
109.02901	6.4
109.06543	3.3
109.10156	2.5
113.06012	11.0
119.08586	17.2
121.10155	9.6
123.08070	37.5
123.11693	3.2
127.03938	10.4
131.08598	3.4
133.10162	3.7
135.11722	16.4
135.17921	1.5
137.09595	3.7
145.05005	4.1
145.10062	1.6
147.08055	2.5
147.11696	7.7
149.09622	45.9
151.07562	3.4
151.14801	3.5
161.13286	12.6
163.11183	10.2
165.12775	8.0
171.11627	3.4
179.14346	4.4
184.53915	1.5
189.12715	22.6
207.13814	84.3
231.05171	3.5
250.69746	1.5
295.12012	1.6
319.40747	1.7
473.19073	2.8
473.24097	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	473.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50264	0.8
53.03940	2.2
55.01858	1.3
55.05502	4.1
56.96568	2.2
57.03428	1.7
57.07072	0.9
61.02918	2.5
63.59525	0.8
65.03950	0.9
66.92386	0.9
67.05506	8.3
69.03430	20.2
69.07064	8.3
70.06599	2.1
70.68552	1.9
70.68907	1.3
71.04980	1.9
72.08144	1.5
73.02915	1.6
79.05505	5.7
81.03416	6.5
81.07053	5.6
83.04964	2.6
83.08646	1.7
84.08115	1.3
85.02905	11.7
85.06526	1.5
86.09711	4.1
87.00820	4.1
91.03946	1.9
91.05486	7.6
93.07044	6.2
95.04964	5.0
95.08614	16.5
97.02905	6.3
97.06527	4.4
98.97592	3.8
99.04464	3.2
104.35123	0.9
105.01862	3.1
105.07034	11.9
107.04957	1.4
107.08607	6.4
109.02867	5.5
109.06529	5.7
109.10149	3.5
110.07259	1.2
111.08082	3.5
115.09966	0.9
116.98633	0.9
119.08582	16.1
121.06533	2.2
121.10143	8.2
123.04424	9.6
123.08089	5.3
123.11739	1.4
125.09629	3.5
127.03905	8.8
131.08514	2.0
133.06500	4.0
133.10139	12.6
135.08044	2.9
135.11685	9.7
137.05995	4.8
137.09604	11.5
137.13261	2.1
139.11165	5.3
145.04942	2.4
145.10139	2.3
147.08029	2.6
147.11688	13.2
149.09616	3.9
151.07523	3.4
151.11150	1.5
156.09375	2.7
158.97424	1.2
158.99722	1.5
159.02899	1.1
159.08018	1.2
159.11696	2.5
161.13260	23.2
163.11166	2.5
165.12759	3.5
166.08597	0.9
171.11690	3.6
174.10403	2.6
177.00650	1.1
179.14293	7.3
186.43364	0.8
189.12744	17.4
200.98553	0.9
207.13795	100.0
208.14021	1.0
213.15991	1.0
216.97884	1.0
219.01733	2.1
224.07756	0.9
225.14859	14.5
231.05084	1.4
234.99014	3.0
235.10875	1.0
245.74573	0.9
267.09641	1.0
271.43100	1.0
287.02072	1.1
304.94318	1.0
387.11053	2.8
413.17236	1.9
473.13519	1.3
473.20056	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	473.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29551	0.7
53.03949	4.4
55.01875	4.5
55.05497	2.5
57.03440	3.8
57.07066	1.0
59.05003	0.7
61.02927	4.8
67.05517	3.7
68.99784	2.5
69.03082	1.3
69.03432	19.9
69.07053	2.0
70.06593	1.9
71.05003	4.0
71.56638	1.2
73.02908	2.7
79.05497	2.1
81.02985	1.2
81.03419	18.9
81.07036	3.0
83.04981	6.3
85.02908	43.6
86.09690	2.6
87.00835	17.2
87.04475	0.8
89.06025	2.2
90.06351	1.4
90.72170	0.8
91.03938	2.7
91.05475	3.2
93.07046	3.7
95.04942	2.0
95.08600	4.9
97.02901	14.0
97.06526	3.2
98.97572	2.3
99.04459	8.4
99.08121	3.8
101.09653	0.9
105.01878	14.3
105.07008	3.6
107.08603	3.9
109.02892	14.3
109.06517	9.7
109.10145	2.5
111.04448	4.3
115.03891	1.3
116.98631	0.8
117.01870	1.8
119.08564	4.5
121.06515	5.1
121.10162	6.6
123.08073	100.0
123.11666	1.9
127.03922	27.7
128.11517	0.9
129.01813	1.8
131.08577	0.8
133.08548	0.9
133.10117	1.8
135.08086	0.8
135.11734	1.1
137.05980	1.7
137.09598	2.0
143.08517	1.4
145.04956	11.1
145.10136	1.1
147.02930	1.3
147.11639	2.4
149.05908	0.8
149.09653	7.8
151.07547	4.6
151.09636	1.2
151.11186	5.1
159.02893	8.4
161.13229	1.8
163.11165	3.5
165.09224	1.3
165.12759	0.9
167.10709	4.4
169.08673	0.7
181.12241	6.3
189.12743	2.6
191.14195	0.8
192.07828	1.4
205.12228	2.2
207.13789	13.0
207.15900	4.7
208.16245	5.4
210.62285	1.0
213.03816	1.1
217.00966	0.8
225.14871	33.8
231.04982	5.7
249.15070	1.3
361.69592	0.9
423.13315	0.7
473.20325	3.4
473.31845	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	473.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.3
55.01863	3.5
55.05495	5.2
57.03422	2.4
57.07058	2.2
61.02917	2.0
66.89727	1.4
67.05498	9.1
69.03426	11.0
69.07066	7.8
69.41911	3.4
69.42312	6.6
70.06572	2.8
71.04974	4.1
72.08151	2.3
73.02919	3.4
74.56672	1.4
79.05482	6.4
79.55202	1.4
81.03423	13.3
81.07041	5.6
83.04951	2.9
85.02897	18.9
85.06512	1.6
86.09695	1.9
87.00840	10.4
91.03951	1.8
91.05479	10.5
93.07046	9.0
95.04949	1.7
95.08606	82.4
97.02879	8.9
97.06512	1.7
97.87587	1.6
98.97597	1.6
99.04419	3.9
103.05492	1.5
105.01843	3.9
105.06413	1.5
105.07043	22.2
107.08591	9.9
109.02864	8.1
109.06489	4.4
109.10165	7.4
109.17802	1.3
117.01790	2.4
117.07019	4.0
119.08580	47.9
120.09360	2.4
121.10137	16.8
123.08070	18.7
125.05988	1.8
127.03907	11.7
128.06232	1.8
131.08539	5.2
133.06503	10.9
133.07393	2.2
133.10123	30.3
135.08092	2.3
135.11688	72.5
137.05907	2.4
137.09607	9.3
137.13217	6.4
143.08572	1.6
145.04927	4.4
145.10106	2.9
147.08012	6.1
147.11684	31.2
149.09615	25.9
151.07542	9.5
151.11099	1.7
151.33560	1.7
156.09293	3.1
159.02882	5.6
159.08026	3.7
159.11668	1.8
160.08940	1.6
161.09631	3.1
161.13260	100.0
162.13701	1.6
163.11163	2.3
165.12761	2.5
171.11664	6.4
174.10378	6.1
179.14296	9.1
189.12740	82.9
207.13802	80.2
207.15443	1.5
218.85013	1.5
225.14809	5.7
231.04932	1.8
244.18181	1.7
473.19659	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	473.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.6
55.01877	8.8
55.05519	20.0
56.96572	4.4
57.03436	7.8
57.69661	3.4
60.46473	2.7
61.02935	14.8
67.05499	10.6
69.03429	19.1
69.07059	4.4
70.06587	12.1
71.04998	8.9
71.56531	4.8
73.02931	8.6
79.05497	12.7
81.03407	24.2
81.07052	6.5
83.04985	6.0
83.08621	4.3
83.70606	3.0
84.08149	3.6
85.02437	3.8
85.02918	56.6
86.09721	3.9
87.00843	20.0
91.03967	8.4
91.05497	11.4
93.07060	12.9
95.08632	11.8
97.02914	26.0
97.06541	23.1
98.97602	7.3
99.04464	9.3
105.01866	10.3
105.07052	9.9
107.08595	20.4
109.02912	20.6
109.06522	8.3
109.10168	11.0
119.08575	12.2
121.06474	5.0
121.10177	11.8
121.25573	3.4
122.56689	3.0
123.08067	23.7
123.11719	3.1
125.06005	93.1
125.09653	12.9
127.03939	38.1
131.08545	6.0
132.95850	11.3
135.08061	69.9
135.11713	3.3
137.06004	6.9
137.09642	15.8
145.04945	19.9
145.10155	6.6
147.11702	10.1
149.09637	8.7
151.07535	9.2
151.11110	4.2
153.09113	100.0
159.02937	10.5
161.13261	11.1
163.11169	4.8
165.12767	23.8
169.08687	7.2
171.11780	3.8
174.96928	16.7
179.14279	23.9
187.07689	3.7
189.12802	11.5
201.85063	3.1
207.13815	88.5
225.05742	3.5
225.14825	19.1
226.08504	3.2
231.04906	3.3
234.98906	3.8
257.11206	3.5
260.96814	5.0
267.00449	3.1
269.53738	3.1
455.71997	3.8
473.20270	21.3
473.33990	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	471.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.3
55.05512	9.6
55.37075	0.3
57.03437	0.4
67.05518	0.7
69.03429	0.5
69.07057	1.0
70.06591	2.5
79.05500	0.6
81.03420	0.8
81.07059	0.7
82.06580	1.4
83.04996	0.9
83.08629	8.6
84.08144	1.1
85.02914	1.0
85.06554	1.0
85.50574	0.3
86.09706	0.5
91.05480	0.5
93.07059	0.5
95.04989	0.9
95.08611	0.6
97.02885	0.4
97.06547	0.8
98.09716	1.0
98.97540	0.4
100.07623	3.2
100.11261	69.1
101.00894	1.4
101.06042	0.7
105.07032	0.5
107.08612	0.9
109.06546	0.6
109.10191	0.5
110.06047	1.2
111.04452	4.9
112.07615	1.2
117.13912	2.2
119.01904	1.8
119.08604	0.5
121.10136	0.5
123.08077	0.4
126.09203	1.9
127.03861	0.3
127.08698	0.5
128.07076	4.2
131.01967	0.5
131.08603	0.5
135.08052	0.8
139.08641	1.7
140.07108	2.0
143.01918	2.7
145.01691	0.4
145.03514	0.4
147.11719	0.8
161.02971	4.2
163.02802	0.4
166.15854	0.4
173.02965	0.4
182.15410	17.6
183.14795	0.4
185.06592	0.5
191.14311	0.7
192.13887	1.0
203.03960	1.9
207.08681	0.7
209.16501	13.0
210.14896	24.2
211.08170	0.6
221.05113	0.7
225.09718	1.6
226.19083	2.3
227.17569	3.4
228.15923	2.7
231.08890	0.5
245.18578	3.0
251.11436	0.5
263.06097	0.5
267.14261	0.4
273.13437	0.5
282.92899	0.3
285.15488	0.4
291.14536	2.9
309.15619	3.2
321.15668	0.5
325.30002	0.4
326.28079	1.6
336.22842	0.9
337.21384	0.7
343.30701	1.7
349.82288	0.4
351.16705	0.9
383.90518	0.3
393.17432	1.0
411.18655	6.5
429.19760	1.4
435.33554	0.7
453.34332	3.7
471.35449	100.0
472.36060	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	3alpha-Hydroxyglycyrrhetinate
Peak:m/z	Relative Intensity
53.03943	5.7
54.16716	3.1
54.54170	3.2
55.05511	24.1
57.03426	4.5
57.07069	5.8
67.05507	44.9
67.67438	3.5
68.06798	3.2
69.07064	26.5
69.76068	16.8
71.04964	5.5
71.08624	3.3
79.05492	22.0
79.93021	4.1
81.03432	5.3
81.07061	53.6
83.04945	4.2
83.08617	14.3
87.04445	5.6
89.13180	4.1
91.05489	29.7
93.07053	45.7
95.04966	9.9
95.08616	79.2
97.06507	11.5
97.10176	7.3
99.08086	4.1
105.07042	65.1
107.08595	69.2
109.10161	55.3
111.08082	7.7
117.06985	5.5
119.08586	92.0
121.06464	4.8
121.10143	56.6
123.08042	9.7
123.11694	15.0
125.09640	14.2
125.77357	3.2
129.07094	4.4
131.08600	34.9
133.10146	63.5
135.11697	31.6
137.09564	5.4
137.13231	3.7
143.08537	12.4
145.10129	69.6
147.11694	28.8
149.09561	5.8
149.13274	20.7
153.09177	3.8
155.50308	3.8
157.10133	16.8
159.11710	48.5
161.09663	4.2
161.13261	33.8
163.11163	5.8
163.14824	18.7
167.14354	3.8
169.10110	6.4
171.11693	14.0
171.99063	3.2
173.11853	5.0
173.13232	32.8
175.14857	31.2
177.16376	18.2
179.10695	3.7
183.11734	5.2
184.07381	4.5
185.13269	8.7
187.14854	41.0
189.16411	52.6
191.14276	5.7
191.17946	13.7
193.15889	11.5
195.13756	6.2
199.14838	21.5
201.14594	6.6
201.16389	100.0
203.17992	16.6
205.15843	8.9
207.17566	6.2
211.14842	6.3
213.16357	22.1
215.17938	18.6
217.15927	8.4
219.17471	43.4
225.16406	4.5
227.17969	9.6
229.19539	16.5
231.17422	12.6
233.15382	6.7
235.16881	9.1
241.19547	8.1
247.16966	17.3
261.18555	12.2
275.20087	10.9
281.22549	5.4
327.23157	16.5
341.24283	4.5
389.32159	10.8
395.33350	4.0
407.33035	38.2
417.31384	5.5
423.32431	11.3
425.34073	13.4
435.32587	49.6
453.33698	43.2
461.40332	4.0
471.29529	5.2
471.34973	47.0
472.05896	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	471.347
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
55.05505	2.1
56.96568	0.6
57.07063	0.4
62.79153	0.3
67.05503	3.0
69.03435	0.5
69.07061	2.0
69.29791	0.4
71.04971	0.6
71.57065	0.4
79.05488	2.0
81.07056	5.7
83.04984	2.2
83.08624	1.9
83.51723	0.4
85.06551	0.8
88.72906	0.4
91.05476	2.0
93.07043	6.0
95.04964	1.3
95.08609	9.1
97.06532	1.4
97.10190	0.5
105.07030	6.7
107.08595	9.5
109.06551	0.6
109.10160	4.9
111.08115	0.9
117.06992	0.9
119.08585	10.0
121.06494	0.9
121.10143	7.3
123.08071	0.9
123.11694	3.4
123.67593	0.4
125.09670	0.5
129.07047	0.8
131.08557	2.2
133.10133	5.9
135.08073	1.2
135.11696	6.1
137.09644	0.9
137.13245	1.1
143.08553	1.7
145.10129	3.0
147.08049	0.8
147.11682	3.7
149.02356	0.7
149.09628	1.1
149.13228	1.8
153.09161	0.6
155.08583	1.1
157.10130	2.2
159.11690	2.3
161.09621	3.0
161.13245	2.6
163.11166	0.9
163.14845	1.5
169.10152	0.8
171.11699	1.5
173.09750	0.5
173.13292	2.3
175.11227	0.9
175.14848	6.2
177.16374	1.7
183.11703	1.6
184.07306	0.4
185.13295	1.0
187.11244	0.8
187.14842	2.9
189.12781	0.8
189.16376	11.6
191.17982	1.7
194.19800	0.4
197.13304	1.3
199.14824	3.0
201.12743	0.9
201.16409	1.2
203.14272	0.5
207.17500	1.1
211.14847	1.6
213.16406	1.0
215.14355	1.5
215.17929	0.7
217.15866	5.4
225.16356	0.6
227.17999	1.0
229.16060	0.5
229.19562	0.6
231.17487	0.7
235.16891	5.7
241.19431	0.8
243.21120	0.8
245.15089	0.4
245.19046	0.5
253.19565	2.1
257.19089	1.2
267.21152	0.5
271.20605	2.9
275.19986	0.5
285.21964	0.5
308.53180	0.4
317.21173	1.4
334.40103	0.4
403.49097	0.4
407.32907	2.3
420.04156	0.5
425.34210	7.5
443.25198	0.4
453.33932	0.8
471.34717	100.0
472.28101	0.5
472.34778	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	471.3472
Annotation	Kunzeanone C
Peak:m/z	Relative Intensity
55.05519	3.2
57.07068	1.5
67.05501	5.2
69.07062	5.6
71.04987	1.2
71.56854	1.5
73.44026	1.1
79.05499	3.9
81.07068	13.5
83.08669	1.9
91.05485	2.0
93.07048	6.0
95.08611	9.2
95.40578	1.6
97.06543	2.1
97.10204	1.9
99.04482	1.7
105.07029	5.1
107.08604	9.8
109.06533	1.6
109.10151	7.9
117.07002	2.0
119.08545	7.6
121.06503	1.8
121.10156	10.3
123.08035	2.2
123.11710	6.0
125.05992	4.0
131.08609	2.7
131.27922	1.4
133.10143	6.4
134.98177	1.3
135.08063	1.9
135.11702	2.5
137.13205	1.6
139.07535	3.0
143.08574	1.8
145.10083	7.4
147.11728	2.3
149.09639	2.9
149.13286	1.6
153.09111	2.2
157.10191	2.3
159.08112	1.9
159.11743	3.8
161.09654	2.0
161.13261	2.0
163.11235	2.1
167.10747	3.7
169.10226	1.7
173.09676	3.2
173.13243	3.1
175.11194	5.9
177.09207	1.5
181.12273	2.0
185.13364	1.9
187.11252	5.6
187.14896	4.7
189.16443	3.6
191.10754	1.7
197.13271	1.6
199.14886	2.0
201.16451	2.3
205.15904	1.6
209.13264	2.1
211.14967	1.9
215.14388	5.8
217.15970	1.6
223.17027	2.5
227.14388	1.6
229.15878	62.0
231.17575	4.5
233.15370	9.6
243.17500	1.7
247.16972	12.0
257.19037	3.6
269.19211	1.8
283.20490	8.1
297.22363	3.6
435.32590	5.4
453.33673	40.9
471.34726	100.0
472.34946	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.347
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
50.87069	2.7
55.05508	15.5
55.46409	3.6
57.07058	8.6
67.05498	28.9
69.07077	18.0
69.78251	8.4
69.78668	8.5
73.87619	2.8
79.05497	20.2
81.07057	36.0
83.04982	5.3
83.08613	12.3
85.06519	3.0
85.10196	3.6
91.05476	23.0
93.07046	45.0
95.04942	4.9
95.08604	48.5
97.06540	7.5
97.10179	5.2
98.20810	3.8
99.08087	24.3
105.07022	50.2
107.08595	70.0
109.06565	4.3
109.10156	31.0
111.08065	8.1
117.06969	4.2
119.08582	100.0
121.10136	46.8
123.08115	3.4
123.11681	13.2
125.09649	7.0
129.06995	6.0
131.08580	41.8
133.10132	57.7
134.98151	2.8
135.08072	16.7
135.11699	37.3
137.09601	8.4
137.13261	4.2
139.11180	3.3
143.08531	12.4
145.10130	35.1
147.11691	91.6
149.09604	6.6
149.13287	14.3
157.10136	9.1
159.11679	38.1
161.09587	3.8
161.13263	22.3
163.11177	29.2
163.14861	18.1
165.12709	3.7
169.10110	8.2
171.11647	10.6
173.11823	5.2
173.13248	24.8
175.11186	6.8
175.14787	18.4
177.12737	7.4
177.16409	9.6
179.14326	9.0
183.11700	5.8
185.13188	14.4
187.14816	58.1
189.16400	25.5
191.14369	3.1
191.17894	8.1
195.13808	5.0
197.13335	3.7
199.14767	11.4
201.16383	79.0
203.14302	13.5
203.17928	6.9
205.15883	48.6
207.17448	11.9
211.14854	5.4
213.16415	13.9
215.17934	10.9
217.15796	5.3
219.17430	39.8
220.43063	3.5
223.14812	3.7
227.17860	8.4
231.17433	8.8
233.19043	5.3
245.18971	12.7
277.29117	3.4
281.22635	4.1
299.25720	9.7
303.23090	3.1
327.23038	3.7
335.26764	3.0
337.25467	3.3
353.28430	8.1
370.34601	3.1
389.31824	6.3
407.33133	79.3
425.34125	77.5
435.32544	9.0
453.33777	28.4
471.34729	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2203
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
50.75354	0.3
53.03934	0.3
55.01861	0.3
55.05511	0.7
56.96548	0.4
57.03430	0.6
61.02922	0.6
62.89169	0.2
67.05498	1.7
69.03413	0.9
69.07054	1.1
69.80618	0.6
69.81032	1.0
70.06579	0.3
73.02899	0.3
79.05480	1.1
81.03406	0.9
81.07068	2.2
83.04958	0.4
83.08593	0.4
84.08122	0.3
85.02912	1.4
86.09719	0.3
91.05474	1.1
93.07034	1.3
95.04946	0.8
95.08604	1.4
97.02886	0.7
97.06519	3.1
98.97588	0.4
98.98438	0.5
99.04440	0.4
105.07017	1.0
107.08604	1.4
109.02845	0.4
109.10158	1.2
119.08562	0.8
121.10146	1.2
123.08025	0.4
123.11715	0.5
127.03911	0.9
131.08548	0.5
133.10143	0.7
135.11699	0.3
143.08551	0.4
145.04933	0.4
145.06552	0.3
145.10133	1.0
147.11653	0.7
149.09599	0.4
149.13194	0.3
157.10121	0.5
159.11717	0.4
161.13280	0.4
165.09138	0.5
184.07361	0.5
187.14792	0.3
195.08018	0.5
197.09914	0.3
205.15915	0.3
209.09528	0.5
211.13275	0.5
213.09052	0.4
214.08830	0.3
220.32481	0.3
223.16963	1.6
286.83630	0.3
293.11877	0.4
309.14465	0.4
309.17065	0.5
309.27826	0.4
335.09430	2.1
339.17865	0.4
349.79147	0.3
471.22025	100.0
472.22284	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3471
Annotation	Glycyrrhetinate
Peak:m/z	Relative Intensity
50.42233	1.7
55.05502	8.5
56.96557	3.2
58.79269	1.7
61.02925	2.2
67.05505	11.4
69.07069	8.6
70.95467	3.3
79.05491	13.9
81.07064	15.0
83.08619	4.4
91.05473	13.6
93.07047	23.1
95.04953	1.8
95.08609	32.9
97.06600	3.3
98.17160	2.2
99.08112	4.5
101.75720	2.1
105.07035	33.3
107.08591	35.2
109.10156	14.6
111.08076	2.2
117.07035	4.9
119.08585	51.5
121.10146	30.0
123.11701	7.9
124.70171	2.2
129.06973	2.1
131.08554	33.1
133.10136	31.0
135.11696	18.3
136.33174	1.9
137.09691	2.0
143.08641	2.8
145.10147	27.6
146.14433	2.0
147.11691	51.8
148.56183	1.6
149.13260	9.6
157.10181	6.3
158.10869	3.2
159.11716	21.8
161.09595	1.9
161.13234	15.1
163.11214	11.8
163.14809	5.2
171.11736	5.7
173.13237	15.3
175.11171	2.4
175.14836	23.4
177.12773	3.6
177.16383	26.5
179.14282	2.4
185.13324	4.5
186.14029	3.1
187.14828	42.7
188.96460	1.9
189.16380	26.0
191.17964	4.4
199.14850	4.5
201.16386	100.0
203.17947	5.9
205.15886	98.4
205.17839	3.0
207.17456	14.7
213.16388	4.3
215.17992	4.6
217.15802	3.4
217.19513	1.9
219.17458	14.3
223.16971	3.3
227.17920	4.5
231.17552	3.2
241.19417	1.9
247.16864	6.1
267.09012	2.5
285.10226	7.9
324.11459	3.5
353.28455	3.3
389.32150	6.6
407.33069	46.1
425.34119	23.7
435.32629	11.7
453.33789	11.7
471.34207	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	471.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.05498	0.7
55.92834	0.3
56.96558	0.4
58.05614	0.3
59.59916	0.3
67.05491	1.2
69.03431	0.5
69.07067	1.2
69.43822	0.2
69.88396	1.6
70.50334	0.3
79.05477	0.9
81.03416	0.6
81.07054	3.2
82.07390	0.3
83.05002	0.4
83.08614	0.4
85.02896	0.8
91.05479	0.7
93.07023	0.9
95.04964	0.6
95.08621	1.6
97.02879	0.5
97.06538	1.6
98.97581	0.5
105.07018	1.0
107.08585	0.6
109.10156	1.3
119.08628	0.7
121.10114	0.6
123.11729	0.6
131.08543	0.5
133.10153	0.4
135.11723	0.4
135.28874	0.3
143.08536	0.4
145.10143	0.6
159.11795	0.4
171.11719	0.3
173.13280	0.3
184.07370	0.3
187.14784	0.4
201.03827	0.9
203.05345	0.4
215.05348	0.3
309.14496	0.3
309.27951	0.5
333.07907	26.5
335.09479	18.1
337.14270	0.3
344.21899	0.3
405.62982	0.3
422.12805	0.3
471.22018	100.0
472.21930	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01892	0.5
55.05515	0.7
57.03456	0.5
57.06790	1.2
57.07077	22.2
58.85343	0.5
61.02906	0.6
64.95397	0.4
67.05503	0.6
69.03434	1.6
70.06603	0.5
70.15177	0.8
70.15533	1.6
73.02938	0.5
81.03409	1.3
81.07063	0.8
82.49120	0.4
85.02917	1.7
85.06521	2.5
91.05483	2.0
93.07046	4.1
95.08622	0.8
97.02926	0.8
97.06554	1.4
98.21061	1.1
98.97560	0.7
102.09185	1.7
103.05470	2.4
105.07034	2.2
107.08627	0.6
109.02896	0.7
109.10116	0.6
121.06509	69.6
127.03906	1.2
135.11670	0.5
137.06001	0.7
138.09145	52.2
148.07588	0.9
163.03926	0.5
222.14891	100.0
223.15257	0.7
266.75571	0.4
299.97217	0.5
308.22098	0.5
385.71756	0.5
437.18481	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91059	2.4
53.03944	3.9
54.42364	2.6
55.05504	12.4
57.03427	2.2
57.07078	5.7
62.50800	2.3
63.09458	2.3
65.03898	3.5
67.05505	55.1
69.07068	16.6
71.04975	3.9
71.57072	4.2
79.05494	25.8
81.03414	4.8
81.06590	3.9
81.07059	72.7
83.04996	3.1
83.08624	18.4
85.06546	3.2
86.09676	2.9
87.04498	12.0
89.06022	8.4
91.05479	25.2
93.07040	42.6
95.04987	5.6
95.08605	30.1
97.06532	5.8
97.10200	3.1
99.08093	3.0
101.52513	3.1
105.07014	15.6
107.08592	24.0
109.06471	3.2
109.10154	3.7
111.08118	4.3
117.07029	8.7
119.08598	12.8
121.06490	4.6
121.10112	13.5
123.08060	3.0
123.11690	6.5
125.09629	2.4
125.67171	2.4
131.08589	14.8
133.08565	3.8
133.10141	19.1
134.98183	12.1
135.11685	17.5
143.08461	4.2
145.10112	5.2
147.11725	3.0
149.09531	5.2
149.13261	42.4
157.10043	2.6
159.11656	28.1
161.09566	3.3
177.12732	20.0
184.07353	5.8
195.13815	100.0
209.15408	5.9
213.14859	23.6
217.78603	2.7
227.16415	91.8
229.15799	3.7
261.14636	9.7
337.27252	4.3
353.24744	2.9
371.25787	4.6
403.28345	9.1
417.29993	3.5
470.33905	7.4
471.25040	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	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.02385	1.3
53.03742	1.0
53.03942	5.9
55.01865	6.3
55.05258	2.0
55.05507	22.4
56.96573	2.1
57.03444	5.2
57.07072	5.2
59.04987	1.8
61.02930	3.0
65.03939	3.0
66.31614	1.0
67.05167	1.9
67.05502	27.5
68.99789	3.6
69.03426	23.6
69.07067	23.0
71.01366	1.8
71.05000	6.3
71.08632	1.7
71.56986	1.4
73.02908	4.0
77.03943	1.8
79.05495	24.9
81.03418	20.6
81.07056	59.1
83.04980	68.8
83.08614	13.3
84.08151	1.1
85.02901	33.4
85.06541	22.0
86.09717	1.4
87.00822	12.6
87.04488	1.8
88.11291	1.0
90.04713	0.9
91.03971	2.2
91.05479	34.7
93.07044	57.3
95.04968	15.0
95.08605	73.7
97.02891	16.0
97.06528	15.9
97.10168	4.9
98.97565	1.8
99.04466	7.2
99.08089	15.2
100.11257	2.3
103.03921	1.3
103.05468	3.1
104.10761	1.5
105.01865	8.0
105.07029	75.2
107.04969	2.3
107.08595	79.0
109.02879	13.9
109.06512	7.0
109.10151	43.7
111.04453	4.5
111.08043	7.5
113.09670	1.8
115.03938	3.6
115.05486	3.1
117.01857	2.1
117.07012	12.0
119.08580	100.0
121.06501	3.7
121.10144	57.8
123.04419	2.2
123.08083	11.0
123.11699	38.8
125.05986	1.7
125.09637	5.9
127.03910	21.0
127.11194	8.0
128.06232	2.5
129.01854	2.2
129.07014	5.6
130.07785	2.2
131.08568	49.6
133.06509	1.5
133.10127	57.2
135.04472	1.5
135.08090	6.7
135.11684	31.3
137.06035	1.6
137.09633	4.7
137.13232	4.8
139.07539	1.4
139.11224	1.9
141.06992	2.1
142.07780	5.6
143.08557	18.3
144.09348	4.6
145.04976	8.0
145.06471	1.7
145.10120	62.4
147.02945	1.8
147.08064	3.6
147.11687	83.9
149.09602	3.2
149.12056	1.5
149.13246	26.0
151.07507	1.8
151.11205	3.7
153.09108	1.2
153.12740	1.1
155.08527	5.4
156.09335	4.0
157.10130	31.6
158.10916	3.2
159.02922	7.2
159.08073	2.6
159.11687	58.0
160.12355	1.2
161.09660	4.4
161.13255	35.7
163.03935	3.6
163.07574	4.6
163.11151	5.9
163.14839	10.8
165.07024	2.0
165.09187	2.2
165.12735	2.2
167.08615	2.2
168.09320	1.4
169.10095	7.6
170.10960	4.2
170.15392	5.4
171.08063	1.0
171.11705	17.3
172.12497	3.1
173.02376	3.3
173.09634	3.8
173.11766	1.7
173.13260	35.0
175.11299	4.8
175.14828	26.4
177.09219	1.9
177.12808	3.0
177.16373	19.5
179.10695	1.2
179.14345	2.1
181.10190	2.9
182.10936	2.0
182.15442	1.8
183.11684	10.5
184.07387	2.0
184.12381	1.4
185.09810	2.1
185.13240	27.7
186.14024	1.9
187.11220	2.5
187.14816	49.5
189.03952	2.0
189.09140	2.1
189.12767	3.2
189.16357	15.0
191.10686	2.1
191.14307	5.3
191.17961	4.0
193.12306	1.3
193.16022	1.7
195.11731	4.1
195.13698	1.4
197.13245	9.6
198.14919	4.4
199.11229	1.5
199.14813	30.3
201.03967	1.3
201.12761	4.0
201.16380	71.1
203.10741	1.8
203.14326	20.7
203.17952	31.9
205.12338	1.2
205.15862	35.4
205.19543	3.7
207.11754	3.5
207.13747	1.7
209.13324	5.3
210.14862	4.9
211.11191	1.6
211.14806	7.1
213.12860	2.0
213.16368	17.9
215.07048	3.4
215.14388	6.5
215.17883	6.9
217.12337	1.8
217.15869	12.2
219.13843	2.8
219.17427	19.3
221.11603	1.4
221.15347	5.7
221.18970	10.4
223.14883	3.4
223.16907	1.9
225.12805	2.5
225.16386	5.0
227.17860	6.8
229.15883	6.0
231.05035	3.8
231.17426	7.5
233.15349	7.5
233.18915	5.1
237.02803	1.1
237.16457	2.1
239.17976	4.2
241.15962	1.8
241.19640	2.9
243.13792	1.2
243.17496	4.3
245.15422	7.2
245.19110	3.4
247.16969	7.8
249.14738	9.5
249.18613	1.3
250.09613	1.6
251.18031	2.5
253.15948	2.3
253.19611	3.2
255.17435	1.9
255.21149	1.6
257.18945	2.3
259.09692	8.1
259.16959	6.0
260.10080	1.5
263.20102	1.2
265.17908	2.1
269.19034	2.1
271.16888	1.7
277.10800	1.4
277.19577	1.2
283.20789	1.7
285.18463	1.6
287.20016	1.5
293.19269	2.2
293.22806	3.2
299.20047	1.7
301.21741	1.2
311.20059	4.8
323.27594	1.8
329.21149	5.4
331.12216	5.3
333.25629	1.4
335.23572	1.4
337.21048	1.7
341.28458	4.5
347.22348	1.5
347.27426	4.8
351.26825	2.0
355.26224	1.9
365.24213	1.6
365.28323	9.9
369.28061	1.3
375.26816	1.3
377.32349	1.1
382.23383	1.5
387.30453	3.8
393.27762	9.1
405.31525	28.3
407.33359	2.3
411.28922	18.0
411.34055	1.2
415.21201	1.9
423.32629	20.1
423.37823	1.5
424.31882	1.3
433.22186	5.6
433.31039	8.9
441.33755	2.3
451.23383	4.3
451.32050	23.6
469.23761	3.3
469.33286	56.6
470.34387	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3315
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03946	2.7
53.05539	2.0
55.01880	3.4
55.05511	14.3
56.96566	2.4
57.03415	3.3
57.07074	8.9
61.02914	3.2
65.03959	2.2
67.05508	22.7
69.07076	25.3
69.39775	17.4
79.05505	23.6
81.03424	3.8
81.07065	42.1
83.08617	7.1
85.02907	4.5
86.32095	2.1
86.63980	2.2
86.87460	1.9
91.05486	26.2
93.07051	43.6
95.04981	4.7
95.08613	61.9
97.02868	3.0
97.06548	15.4
97.10177	6.4
105.07038	60.9
107.04973	3.0
107.08596	56.4
107.09297	3.9
109.06538	8.0
109.10152	35.0
111.08090	2.6
115.07577	23.7
117.07043	11.0
119.08588	64.2
121.06559	4.2
121.10159	46.1
123.08074	7.0
123.11730	12.8
124.98365	2.5
125.05922	2.5
128.06259	4.7
129.07002	11.1
130.07808	1.9
131.08574	43.2
133.06528	3.2
133.10136	48.7
133.11086	3.3
135.08069	6.3
135.11693	40.9
137.13269	8.8
142.07797	5.9
143.08583	32.6
144.09367	4.6
145.06517	2.1
145.10126	50.8
147.08070	8.1
147.11687	33.3
149.09651	4.3
149.13246	17.0
150.92911	2.3
155.08566	13.8
156.09360	6.5
157.10129	39.6
158.10814	5.0
159.08109	3.5
159.11703	47.7
159.69011	2.2
161.09642	9.7
161.13263	24.4
163.07585	5.9
163.11264	2.8
163.14827	26.1
167.08565	4.7
168.09395	2.9
169.08827	4.1
169.10056	15.7
170.10944	5.6
171.11658	25.5
173.09578	4.9
173.13275	49.1
173.14693	3.3
175.11232	7.3
175.14850	19.4
177.09079	2.6
177.12833	3.6
177.16438	6.8
179.10696	3.3
181.10214	2.9
182.10953	6.6
183.11674	13.5
184.07292	3.2
185.09708	2.7
185.13274	30.4
187.11194	7.2
187.14850	43.3
189.12842	11.0
189.16379	46.3
191.14276	4.9
191.17952	100.0
193.12343	3.0
195.11765	4.0
197.13252	31.6
199.11235	3.7
199.14839	34.7
201.12775	14.1
201.16393	23.7
203.14351	14.2
203.17952	26.6
205.15915	5.1
205.19557	8.9
207.13789	2.2
207.17453	4.2
209.13380	3.8
211.11243	3.1
211.14844	4.3
213.12804	5.2
213.16451	8.1
215.14330	29.5
215.17880	5.1
217.12325	4.2
217.15967	13.2
217.19563	9.7
219.13808	5.8
221.15430	2.9
225.16301	4.4
227.18069	3.0
229.12450	3.0
229.15872	2.4
231.13885	8.1
233.15358	16.7
235.13338	6.6
243.13791	13.5
247.13272	3.6
249.14841	15.9
253.14516	9.8
253.19655	2.5
255.21169	4.2
261.14825	25.0
263.12839	8.4
263.16324	2.3
277.14447	4.3
279.15921	23.3
295.24780	2.5
333.19006	3.8
387.30618	3.6
405.31549	11.0
407.33301	2.8
423.32526	13.0
433.30954	19.2
451.32147	30.2
469.33249	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3312
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.02375	1.2
53.03952	1.3
55.01864	1.7
55.05511	16.4
56.96538	1.1
57.03437	1.5
57.07067	1.8
59.05005	1.1
65.03950	1.2
67.05505	18.4
69.03426	1.4
69.07069	10.0
70.24966	1.0
71.04987	1.2
71.08624	1.2
71.56367	1.1
73.02889	1.6
79.05490	13.9
81.03407	1.8
81.07057	34.9
83.04984	100.0
83.08627	10.5
85.02941	1.8
85.86242	1.1
86.09707	1.6
87.05593	1.1
90.63835	1.1
91.05478	17.2
92.64376	1.0
93.07049	30.8
95.04973	14.1
95.08607	46.3
97.02889	1.8
97.06538	4.5
97.10165	2.8
99.08091	6.1
105.07036	45.2
107.08600	47.5
109.06522	8.0
109.10171	19.9
111.08071	2.9
117.07027	3.7
119.08582	59.0
121.10153	25.3
123.08065	9.6
123.11715	11.8
125.09658	3.6
128.06244	2.5
129.07021	3.4
130.07814	2.1
131.00079	1.3
131.08577	28.5
131.09535	2.0
133.10138	32.4
135.08046	3.2
135.11713	16.2
137.05992	2.2
137.09615	1.4
137.13255	1.5
142.07845	3.3
143.08556	14.2
144.09302	2.6
145.06432	1.4
145.10123	40.0
147.11696	32.6
149.09627	3.2
149.13278	12.3
151.07526	1.6
151.11215	2.2
153.09073	1.6
155.08586	4.5
156.09363	1.6
157.10139	16.9
158.10880	1.7
159.11703	36.8
161.09666	2.4
161.13266	24.3
163.07550	3.6
163.11172	2.3
163.14819	7.9
169.10164	5.6
170.10915	2.6
171.11696	12.1
173.09615	1.8
173.13258	24.1
175.14832	18.3
177.09154	2.1
177.12787	1.6
177.16377	7.5
179.14388	1.7
181.10240	1.4
183.11679	7.2
184.07440	2.0
184.12498	1.8
185.13278	22.1
185.14841	1.9
187.14819	32.2
189.12769	1.6
189.16373	9.1
191.14343	2.3
191.17918	2.8
193.15808	1.6
195.11601	2.2
197.13301	5.7
199.14822	19.5
201.12810	1.5
201.16385	31.9
203.14331	23.2
203.17924	3.8
205.15857	9.6
209.13239	1.8
211.14827	5.6
213.16365	14.5
215.14349	4.4
215.17989	3.5
217.15891	10.2
219.13850	3.3
219.17509	5.3
221.15338	5.4
223.14847	2.1
225.16405	4.1
227.18027	3.5
229.15933	3.1
231.17517	5.3
233.15326	7.3
237.16484	1.6
239.17986	3.9
241.19524	2.6
242.17230	1.2
245.15384	7.1
247.17038	4.5
249.14842	15.2
251.17918	2.1
253.19637	4.3
255.20992	1.9
257.19168	1.4
259.16977	7.2
259.20734	1.8
265.19559	1.8
267.20966	3.5
269.22662	2.6
275.20135	1.4
276.14001	4.0
276.64075	1.2
277.19571	1.3
283.20544	1.4
292.12610	3.1
299.20218	2.4
313.21576	1.5
323.27414	3.6
335.23770	2.3
341.28320	7.7
347.27518	4.4
351.23022	1.5
355.26294	2.8
357.16592	1.6
365.28427	2.2
387.30423	2.8
393.27811	11.6
405.31552	29.8
407.33350	1.8
411.29175	5.1
423.32520	15.5
433.31055	7.7
451.26413	2.4
451.32108	22.7
469.27243	1.8
469.33221	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	469.2644
Annotation	Halisulfate 9
Peak:m/z	Relative Intensity
52.66747	1.7
53.03937	4.7
55.01866	4.7
55.05508	38.7
56.96572	3.4
57.03426	8.4
57.07080	25.4
59.04992	8.4
61.02925	5.7
61.38746	1.9
67.05508	11.9
67.54285	2.1
69.03442	17.2
69.07071	52.4
70.06584	3.4
71.01356	2.0
71.04992	3.0
71.08629	20.1
71.56338	2.7
71.56745	2.4
73.02914	9.8
73.06555	8.5
79.05497	6.6
81.03430	9.2
81.07052	19.8
83.05013	4.1
83.08620	100.0
84.08130	4.0
85.02905	38.4
85.06546	3.8
86.09701	4.4
87.04471	2.8
91.03957	2.8
91.05479	7.8
93.07055	10.4
95.04968	8.8
95.08609	9.0
97.02881	20.0
97.06532	21.5
97.10178	19.4
98.97585	8.0
99.04452	5.6
99.05136	1.8
105.07040	10.5
107.08603	9.9
109.02872	6.1
109.06496	4.4
109.10168	9.3
109.12681	1.8
115.03941	5.6
116.98648	2.9
117.07079	2.3
119.08575	8.5
121.06497	2.2
121.10137	6.7
123.11696	2.4
127.03918	11.1
131.08577	5.2
133.04939	6.2
133.10135	8.2
135.11676	4.2
139.14821	40.1
143.08585	2.0
145.04968	7.9
145.10126	6.5
147.11676	5.2
149.13272	2.8
151.11217	2.1
157.10184	3.3
157.14565	4.5
157.15881	92.2
158.99634	3.4
159.11714	2.8
161.02356	3.7
161.09644	2.6
161.13280	6.2
163.03911	11.5
163.06021	3.4
169.10066	2.6
171.11736	3.2
173.02284	12.2
175.16962	8.3
177.00604	4.6
181.12108	1.9
184.07423	2.9
189.16348	3.9
201.12843	2.2
203.14247	4.5
215.07039	12.4
219.01724	3.6
227.17870	2.2
230.11360	1.9
241.07050	3.1
259.09668	17.6
277.10764	17.2
289.25146	3.5
307.15106	8.0
307.26382	2.4
337.32614	1.9
469.20602	22.4
469.29187	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	469.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01868	2.6
55.05271	1.7
55.05514	27.9
56.96564	2.0
57.03426	6.0
57.07078	18.9
59.04984	5.0
61.02918	2.9
67.05495	6.5
68.40615	1.6
69.03427	12.3
69.07070	44.5
71.04980	4.0
71.08624	14.1
72.59563	1.7
73.02909	4.9
73.06545	5.7
79.05488	7.4
81.03405	6.2
81.07057	18.1
83.04961	5.0
83.08620	75.5
84.08102	2.0
85.02905	29.7
91.03964	2.2
91.05502	7.7
93.07060	7.7
93.35989	1.7
95.04996	2.0
95.08609	12.1
97.02891	14.5
97.06546	11.5
97.10173	16.3
98.97585	4.4
99.04456	2.9
101.46274	1.5
105.01881	1.4
105.07028	10.8
107.08595	9.6
109.02891	5.3
109.06446	1.7
109.10155	5.9
115.03959	3.0
117.06985	2.2
119.08571	12.0
121.10142	7.4
123.11703	3.9
127.03910	7.2
129.06960	2.0
131.08571	6.0
133.04958	4.0
133.10146	6.5
135.11697	4.1
137.05894	1.9
137.09665	2.0
139.14816	28.7
143.08585	3.2
145.04976	4.9
145.10114	6.7
147.08076	2.1
147.11668	6.7
157.10168	2.5
157.15878	58.4
159.11696	4.0
161.09633	1.4
161.13322	2.9
163.03896	4.7
163.11203	2.3
171.11700	2.6
173.02357	4.4
173.13290	3.6
175.14748	2.3
175.16922	11.0
185.13225	2.6
199.14857	1.6
203.14328	2.5
203.17960	7.8
205.15877	2.3
213.16460	2.1
215.07033	5.2
217.15958	1.5
241.07092	2.1
259.09778	7.1
269.12442	2.9
277.10754	7.1
307.15155	7.2
331.65121	1.3
335.12753	1.5
423.32462	1.7
427.20532	1.7
469.20456	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.7
53.03941	4.4
53.21075	0.6
54.81055	0.7
55.01869	6.3
55.05515	11.1
56.96558	1.6
57.03440	4.8
57.07090	4.4
57.75948	0.7
59.05009	1.7
61.02937	6.0
65.03941	2.0
65.20218	0.8
67.05223	0.4
67.05506	19.7
68.99794	5.9
69.03432	26.8
69.07072	19.4
69.92258	3.5
69.96914	0.8
71.01360	1.8
71.04605	1.1
71.04993	16.6
73.02925	6.5
77.64086	0.7
79.05494	21.2
80.05827	1.5
81.03420	21.9
81.07059	100.0
82.07395	10.9
83.04977	5.9
83.07741	1.1
83.08614	7.4
85.02908	35.6
85.06554	2.8
86.03254	0.9
87.00833	15.7
87.04504	1.7
91.03952	1.4
91.05484	18.7
93.07046	29.3
95.04975	12.5
95.08610	44.5
96.08948	3.2
97.02895	16.5
97.06525	7.6
97.10167	4.3
98.97582	7.7
99.04452	6.9
99.08089	3.3
101.02382	0.7
101.05997	0.7
103.03941	3.9
103.05515	1.8
105.01870	6.8
105.04542	1.0
105.07036	39.2
107.04942	4.2
107.07862	1.6
107.08598	32.8
107.25303	0.7
109.02888	12.3
109.06492	6.1
109.10160	36.9
110.97580	4.2
111.04440	6.6
111.08084	2.5
111.11727	2.6
112.76772	0.6
113.02436	0.7
113.09667	1.1
115.03951	6.4
115.05462	1.6
115.25040	0.9
116.98602	1.3
117.01842	1.8
117.07016	8.1
119.05001	1.0
119.08584	41.8
121.06516	6.9
121.10149	28.8
121.11039	1.4
123.04420	5.8
123.08083	5.0
123.11708	17.9
124.99120	0.8
125.06011	1.4
125.09627	4.6
127.03923	14.8
127.07564	0.7
127.11195	16.9
128.06218	4.3
128.98610	2.8
129.01851	5.7
129.05490	1.6
129.07010	5.7
130.07756	1.4
131.08575	16.5
133.05035	0.9
133.06502	1.8
133.10135	27.0
135.04445	1.9
135.08070	3.8
135.11693	19.4
135.54236	0.7
137.05995	3.0
137.09621	3.7
137.13261	7.8
138.13611	2.3
139.07579	1.9
139.11227	1.3
141.05479	1.7
141.07018	2.6
142.07771	4.1
143.00191	1.5
143.08560	11.7
143.10661	1.2
144.09401	2.0
145.04980	4.2
145.06465	2.2
145.10133	22.8
145.11292	1.2
147.02895	3.5
147.08080	3.8
147.11687	21.3
149.05971	1.1
149.09586	3.8
149.13261	9.0
151.07527	1.7
151.11188	2.7
153.05464	1.1
153.06985	1.4
153.09087	0.8
153.12738	2.8
154.63181	0.7
155.00163	0.9
155.08560	5.9
156.09373	2.3
157.06602	1.0
157.10146	14.7
158.99692	2.2
159.02899	4.9
159.08095	3.6
159.11699	27.9
160.12535	0.7
161.09641	4.0
161.13268	10.1
163.03931	2.3
163.07527	2.3
163.11169	3.3
163.14835	3.4
165.09129	1.7
165.12730	2.6
167.08588	1.6
167.10645	0.8
168.09238	1.1
169.10098	6.0
170.10944	0.8
170.99661	4.4
171.02933	1.6
171.08073	3.1
171.11720	10.1
172.00169	0.8
173.02425	1.3
173.09602	2.9
173.13284	7.6
175.11195	4.4
175.14781	4.9
176.53481	0.8
177.00681	1.4
177.09155	1.2
177.12750	4.4
177.16420	2.5
179.08583	2.1
181.08644	1.3
181.10126	2.9
182.10893	1.9
182.99632	0.7
183.08128	1.2
183.11688	5.2
184.07375	0.8
184.12489	0.9
185.09700	3.3
185.13252	5.5
187.07596	1.5
187.11205	2.6
187.14839	7.1
189.00708	2.7
189.03911	4.0
189.09088	2.2
189.12793	3.9
189.16370	10.6
191.10664	0.9
191.14311	2.3
191.17976	2.2
192.09290	1.3
193.10138	1.1
193.15854	1.6
193.19452	2.9
195.11697	3.5
195.17485	0.9
197.09641	0.9
197.13274	4.7
199.11269	1.7
199.14807	3.0
201.03894	1.9
201.12750	4.8
201.16386	11.9
203.10695	2.0
203.14355	1.4
203.17979	16.7
204.18381	0.8
205.15932	2.0
205.19536	2.1
207.10033	1.5
207.11722	3.6
207.13455	0.8
209.09622	0.8
209.13277	2.4
211.11159	1.1
211.14833	1.6
213.03917	1.1
213.12706	1.7
213.16379	4.3
215.06978	1.7
215.14355	1.5
215.17953	3.6
217.12178	1.0
217.15831	1.3
217.19537	1.8
219.01802	1.0
219.04987	2.0
219.13802	0.9
219.17461	6.4
221.13402	1.2
221.19019	8.8
223.14783	2.8
225.12798	5.3
225.16405	2.6
227.14264	2.1
227.17946	4.6
229.15901	1.0
231.01758	3.4
231.04968	3.7
231.13911	1.6
231.17419	3.6
232.02110	1.0
233.13348	1.0
233.18991	2.8
237.02890	1.0
237.12794	1.2
237.16435	1.3
239.14320	1.2
239.17935	2.0
241.15909	2.7
241.19453	0.9
243.13750	3.1
243.17461	3.2
245.15321	0.8
245.19000	8.2
249.02805	7.6
250.03149	2.0
251.14377	1.1
253.11040	0.8
255.13872	1.2
257.18961	2.4
259.09622	3.3
259.17072	1.3
261.14905	1.0
261.18442	2.2
263.20032	5.2
265.19479	1.6
267.03568	0.9
269.19040	2.8
273.18393	0.9
275.20203	1.6
277.10791	1.5
283.20560	2.3
284.66531	0.7
287.20142	3.7
291.03851	3.2
293.19055	4.5
301.21570	1.6
303.03900	0.9
303.10480	1.7
305.21075	2.0
307.15256	0.9
307.19028	0.8
307.26199	1.3
311.20081	15.1
329.21103	9.7
332.08517	1.8
332.58887	3.8
347.15073	1.7
347.22122	2.7
363.05795	1.0
365.23245	0.9
383.17029	2.1
397.19803	0.9
407.24301	1.6
415.20996	3.0
423.07977	2.9
424.08392	2.0
433.22256	7.5
451.23300	15.8
469.20190	84.1
469.60483	0.7
470.20731	1.6
484.10257	1.0
487.18546	5.7
488.18967	4.9
489.19272	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.1
57.03434	1.4
59.08477	0.9
60.57454	0.9
67.05467	1.2
69.03436	3.2
69.07060	1.8
70.06588	3.6
71.56513	1.8
72.08158	1.2
72.82220	1.0
73.02921	1.0
79.05487	2.5
81.03433	2.7
81.07067	2.5
84.04498	1.5
84.08138	2.6
85.02911	6.9
86.09688	1.8
87.34219	0.9
91.05485	2.4
93.07040	3.3
94.06539	1.4
95.05001	1.4
96.08129	1.7
97.02879	1.7
97.06541	1.7
98.97575	3.3
103.05430	1.4
108.08125	6.0
109.02836	1.0
116.52854	1.1
116.98631	1.0
118.06583	1.8
120.08113	18.2
123.08001	1.3
124.07606	5.4
126.09171	2.2
127.03910	1.9
128.98570	1.2
132.08165	1.0
132.47618	1.1
136.07584	39.9
137.05949	2.1
138.09131	3.6
145.04979	1.4
148.07553	7.7
151.03943	2.3
164.07071	20.3
166.08650	2.3
185.15425	0.9
187.12328	3.2
199.08647	1.1
213.10258	2.6
214.11043	4.4
215.11815	4.4
215.15343	1.7
225.13925	2.7
226.12257	2.5
227.11838	1.2
228.12610	3.9
242.10529	1.3
242.14093	1.5
243.14937	40.6
253.13388	2.3
259.02628	1.3
271.02615	1.5
271.14423	47.2
273.06357	1.8
287.60281	0.9
289.15454	100.0
307.12909	3.5
340.22131	1.9
451.10330	1.5
469.10684	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	469.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.9
53.20956	1.8
55.01861	7.3
55.05509	17.8
56.96558	2.8
57.03418	7.9
57.07060	6.1
58.91677	1.6
58.97225	1.9
59.04995	1.7
61.02920	4.4
65.16536	1.7
67.05502	31.7
68.99794	2.3
69.03432	32.9
69.07067	30.4
71.00825	3.6
71.04993	11.6
71.05305	2.0
71.08608	1.9
71.62729	1.9
73.02920	5.2
77.03922	2.5
79.05064	2.2
79.05492	27.6
81.03419	27.8
81.07057	88.5
82.07374	4.7
83.04979	61.9
83.08621	13.0
85.02435	3.6
85.02906	54.2
85.06546	35.1
87.00835	20.1
87.04435	3.2
91.03905	2.0
91.05479	29.8
91.35027	1.8
93.06478	3.8
93.07045	61.2
95.01202	1.8
95.04974	14.6
95.08607	77.7
97.02892	20.7
97.06525	16.5
97.10142	4.5
98.97585	9.9
99.04453	13.7
99.08080	13.2
105.01878	15.8
105.04541	1.9
105.07034	73.8
107.08598	80.7
109.02878	23.3
109.06528	10.0
109.10160	48.0
109.12354	2.0
111.08061	5.5
113.09633	2.3
115.03928	6.4
115.05415	3.2
117.01798	3.0
117.07002	8.9
119.08583	100.0
121.06503	4.3
121.10151	57.6
123.08052	9.5
123.11713	46.7
125.05939	1.8
125.09628	5.5
127.03920	40.5
127.11165	8.6
129.01804	2.2
129.06982	5.2
131.08566	47.1
133.10124	46.5
135.08046	7.8
135.11703	40.7
137.06021	2.5
137.09615	4.6
137.13219	4.2
142.07767	6.8
142.99997	1.7
143.08563	15.5
144.09294	4.1
145.04926	11.8
145.10127	61.3
147.02788	2.9
147.08029	5.2
147.11697	67.9
149.09608	4.6
149.13249	27.3
151.07516	4.5
151.11183	4.4
153.12669	2.4
155.08504	5.4
156.09299	3.5
157.10126	31.4
158.10863	2.5
158.99744	2.7
159.02876	12.5
159.08032	6.0
159.11703	52.3
161.09604	4.3
161.13255	31.5
163.03931	5.3
163.07558	4.3
163.11168	4.5
163.14861	11.3
165.12688	2.3
169.10120	10.3
170.10918	2.2
171.11685	22.6
173.02374	3.1
173.09749	2.6
173.13278	31.7
175.07469	2.8
175.11133	3.1
175.14812	23.7
177.12682	2.8
177.16400	23.1
181.10152	6.0
182.10742	2.4
183.11630	10.0
185.09537	3.9
185.13246	21.9
187.11174	2.7
187.14806	34.1
189.09097	2.4
189.16408	12.1
191.14316	3.2
191.17889	2.3
195.11740	3.5
197.13264	8.4
199.14830	21.6
201.03947	2.5
201.12653	3.9
201.14566	4.0
201.16382	58.0
203.14279	17.6
203.17957	25.5
205.15895	30.2
205.19466	6.4
207.11714	3.8
209.13213	5.0
210.14789	2.2
211.14809	8.8
213.16409	13.3
215.06987	4.4
215.14317	6.9
215.17941	8.0
217.15887	11.2
219.17439	15.4
221.15344	3.6
221.18983	9.6
223.14738	3.8
225.16367	8.2
227.17917	5.5
229.15807	4.8
231.04996	8.8
231.17397	8.1
233.15347	4.6
233.19025	6.0
235.14909	2.2
237.02702	2.8
237.16356	2.4
239.17989	6.1
241.15981	2.2
241.19521	4.0
243.17325	4.0
245.15363	6.0
245.18901	5.4
247.16936	5.6
249.02780	2.4
249.14729	11.2
249.18584	2.2
250.09503	2.6
253.15938	2.6
257.18954	3.4
259.09641	10.6
259.16965	3.5
259.20636	2.6
261.18408	2.3
263.20233	3.0
271.16803	2.5
300.52646	2.3
311.19901	4.7
329.21005	8.6
331.03247	3.3
332.03510	2.5
341.28329	4.4
347.22183	2.9
347.27176	4.4
365.28375	8.9
387.30353	3.6
393.27744	6.7
405.26508	2.9
405.31491	27.0
411.28922	18.1
423.32574	17.0
433.22037	6.0
433.30771	5.9
451.23120	5.5
451.32108	21.6
464.51901	2.1
469.24106	3.3
469.33322	45.5
473.52332	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	468.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.8
55.05516	48.2
57.02667	7.4
57.03434	9.7
67.05509	51.8
67.91649	6.4
69.07069	23.3
69.75365	24.7
69.75764	14.9
79.05487	41.3
81.07057	50.8
83.08591	28.9
88.16422	9.1
91.05492	42.0
93.07039	42.1
95.04985	6.9
95.08591	30.6
95.34304	8.2
95.50272	7.9
97.06516	15.1
97.10152	25.9
103.05564	6.7
105.07033	35.9
107.04945	8.9
107.08585	34.6
107.33025	7.0
109.06527	13.0
109.10158	13.9
111.08102	8.0
117.06995	14.4
119.08569	23.0
121.10126	17.4
121.74409	7.4
124.01238	7.6
125.09624	34.6
129.07004	30.9
131.08566	26.3
133.06355	8.0
133.10155	17.4
135.08020	11.1
143.08571	23.3
145.10088	14.5
147.08078	11.4
155.08563	11.3
157.10138	17.0
159.11667	11.4
171.11722	11.7
184.07285	24.3
185.13297	11.3
195.11525	10.3
203.12715	10.9
209.13460	8.9
217.16032	10.2
264.19571	20.6
324.51080	8.4
333.22165	10.0
351.23117	32.0
369.24203	49.7
383.25800	16.8
401.26935	100.0
403.90564	7.1
415.28555	23.9
419.27658	12.1
433.29431	50.6
468.32465	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	467.277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13575	0.5
53.03953	0.6
55.05516	4.3
57.03184	0.7
57.03437	8.7
57.07078	30.9
62.67893	0.5
67.05184	0.7
67.05511	10.5
68.10849	0.5
69.07065	6.0
71.05400	1.3
71.08636	23.0
74.18659	0.5
81.07062	12.0
83.08620	7.6
85.10187	10.8
89.06036	0.6
90.42699	0.7
93.07036	0.6
95.08611	16.0
97.10162	3.3
98.98469	40.1
99.11744	0.7
99.79420	0.5
108.77637	0.5
109.10161	10.4
111.11716	0.9
116.99503	0.7
121.16960	0.5
123.11682	2.6
124.99990	0.6
125.13284	0.8
136.99985	2.0
137.13268	1.2
155.01042	46.3
211.03662	1.1
221.22643	0.7
229.04723	2.0
239.23621	5.4
257.24634	1.2
299.58536	0.7
313.27365	100.0
314.27747	0.6
393.23996	2.1
435.19119	0.8
449.26675	15.3
467.21582	2.3
467.37247	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	468.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.1
56.05029	1.6
57.03440	0.8
58.06611	1.3
59.07375	0.4
60.08166	15.3
60.08475	0.9
62.06097	0.4
67.05502	1.6
69.03429	0.5
70.06589	0.7
71.04977	0.5
71.07379	6.0
71.56599	0.6
79.05503	1.1
81.03419	1.4
81.07055	2.2
83.04987	0.9
83.08604	0.6
85.02916	2.2
85.06554	0.4
86.09708	45.7
91.05482	1.7
91.71891	0.4
93.07047	1.1
95.04968	1.1
95.08603	1.3
97.02872	0.5
97.06512	0.7
98.98463	3.6
104.10748	100.0
105.07044	1.4
105.11047	0.5
107.08592	0.6
109.10118	0.3
119.08559	1.0
121.10151	0.9
125.00008	25.7
129.07007	0.7
132.18408	0.3
133.10173	0.4
147.11649	0.4
163.01537	0.4
173.13165	0.4
175.11206	0.5
181.02682	0.4
184.07347	86.6
193.12253	0.7
258.11002	0.7
306.06198	0.4
367.57861	0.4
386.19867	0.3
450.22552	7.5
468.23615	46.6
469.23880	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.7
56.96567	18.8
56.96839	0.7
57.03432	0.7
59.04967	0.4
61.02910	0.5
64.59487	0.4
67.05482	1.4
69.03435	0.5
69.07065	0.9
70.25622	0.4
71.17311	0.8
71.95277	2.5
72.96032	1.3
79.05472	1.6
79.15462	0.3
81.03388	0.5
81.07079	2.0
83.08579	0.5
85.02914	0.4
91.05484	0.6
93.07034	1.5
95.08579	0.8
97.02882	0.4
97.06505	0.8
97.96842	0.6
98.97572	0.7
99.15018	0.4
104.10696	0.5
105.00150	0.9
105.07023	1.0
107.08625	0.7
109.10136	0.5
110.97574	1.3
111.93651	0.3
112.99103	0.7
116.11779	0.4
116.98595	0.4
117.06980	0.4
119.01746	0.4
119.08591	0.8
121.10126	0.8
123.01224	0.5
128.98586	1.1
131.00163	0.8
131.08441	0.4
137.02757	1.0
137.05959	0.6
143.00139	0.4
145.10088	0.7
147.11650	0.6
149.01271	0.5
151.04297	0.9
158.99689	0.5
159.11644	0.6
169.05377	0.4
179.07413	0.6
185.13332	0.6
197.08488	0.7
201.16676	0.4
223.09993	4.1
225.11720	0.5
227.36467	0.3
229.07433	1.1
235.10054	5.7
241.11115	43.2
247.08656	0.4
251.09518	0.4
253.11111	83.4
259.12183	33.9
259.15009	0.8
260.12561	0.5
264.12698	2.9
267.85876	0.4
269.10696	0.7
271.12164	100.0
272.12506	1.1
276.12750	2.5
282.13843	1.8
289.13177	2.7
293.13315	1.1
294.13779	13.2
300.11972	0.4
302.13834	5.8
302.63956	2.7
305.15033	0.4
369.19443	0.6
377.73285	0.4
421.18219	0.4
467.26770	22.6
468.27106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.4
57.03437	1.0
57.07079	4.2
62.98259	9.5
64.01621	0.6
67.05514	5.4
68.10237	0.5
69.07064	2.4
71.04979	0.6
71.08645	2.4
71.56880	0.8
72.61354	0.5
79.05501	0.7
81.07072	3.7
83.08615	2.0
85.10177	1.7
91.05473	0.9
93.07038	1.4
95.08604	3.4
98.98473	3.4
105.07032	1.0
107.08591	1.3
109.10177	3.5
111.08118	0.5
113.00011	0.8
115.86617	0.5
119.08617	1.5
121.10188	1.3
123.11682	0.5
124.26217	0.5
124.93779	27.7
131.08574	0.8
133.10121	0.7
145.10156	1.3
147.11697	0.7
155.01073	3.3
156.96390	33.6
159.11736	0.6
165.96356	0.6
169.02675	0.5
187.14835	0.8
198.97452	2.0
212.99010	5.2
215.14360	1.0
231.00163	1.2
233.15390	1.6
239.23723	0.5
243.13931	1.1
266.57001	0.5
299.19638	2.6
313.27390	9.5
381.06696	0.5
385.29364	1.9
387.30194	0.9
395.74268	0.5
435.12912	1.0
435.18869	20.4
449.24985	0.6
449.31113	4.2
467.21509	100.0
467.31393	9.6
468.21948	1.1
476.21304	0.5
491.31415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	1.6
61.02919	0.9
69.03426	1.4
70.06583	1.8
71.43929	0.4
71.55855	0.4
72.08154	1.5
73.02917	0.7
77.18767	0.5
79.05505	0.4
84.08157	0.6
84.96008	0.7
85.02914	3.2
86.67760	0.4
87.04474	0.6
91.03987	0.8
95.04997	0.5
97.02892	1.5
98.97588	9.2
109.02836	0.5
110.97575	2.2
116.98632	3.1
120.08115	1.0
127.03954	0.6
128.98628	1.9
134.99612	0.9
137.05983	1.8
140.07065	1.4
142.54538	0.4
143.00198	1.5
144.98120	0.5
145.05026	0.8
146.99718	0.8
148.07649	0.5
152.98643	1.1
158.99684	2.7
161.01268	0.6
170.99689	1.5
171.05099	2.1
177.00746	1.4
189.00757	1.1
190.08562	0.4
195.74069	0.5
201.00688	1.0
203.05457	0.5
211.04524	0.7
218.08194	0.9
219.01744	5.1
219.03317	0.5
236.09232	1.0
237.02797	5.6
261.13419	1.5
269.10208	0.4
275.08060	1.4
279.14395	8.9
279.17090	0.7
287.12405	1.8
292.07571	0.5
293.09082	9.8
297.15445	2.6
305.12207	3.4
311.10123	0.8
323.13376	9.7
329.12457	1.1
347.13455	8.3
359.13882	0.6
365.14496	6.4
407.12292	19.8
425.13263	1.1
449.18002	2.9
457.39243	0.5
467.18893	100.0
468.19272	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
55.05512	3.9
57.03441	9.3
57.07069	2.0
61.02918	4.7
67.05505	22.0
69.03431	5.6
69.07059	8.8
70.15748	3.7
70.16148	2.2
71.04974	3.1
73.02927	8.9
79.05493	19.7
80.22920	1.2
81.03428	2.0
81.07054	94.2
83.04980	2.6
83.08629	6.7
85.02905	16.5
85.06551	2.0
87.04491	1.9
90.43653	1.2
91.05485	6.0
93.07050	18.8
95.04940	1.8
95.08604	22.7
95.31142	1.4
97.02882	9.1
97.06545	8.2
98.97580	1.8
105.07045	4.0
107.04968	1.5
107.08583	11.2
107.93863	1.4
109.02914	2.0
109.10136	3.6
111.05157	1.3
111.08099	4.3
115.03918	10.2
117.07019	3.1
121.06573	1.4
121.10159	6.6
123.11736	1.9
127.03922	4.9
131.08623	1.8
133.04962	5.4
133.10175	2.7
135.11693	3.1
137.05978	1.7
137.13260	19.6
145.04988	4.9
149.13266	16.3
159.11684	7.7
177.12764	6.9
195.13777	6.8
200.15373	1.5
234.76085	1.3
258.13242	1.8
259.08118	3.0
269.17477	100.0
295.10211	3.7
355.55536	1.4
376.21259	1.5
431.22714	2.5
466.28076	2.6
467.22482	1.6
473.70938	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58117	0.5
53.03882	0.8
55.01806	1.0
55.05442	3.0
55.05726	0.9
56.04963	17.8
56.05268	2.7
56.47448	0.4
56.96494	0.8
57.03363	2.3
61.02848	12.3
61.03198	1.5
65.03888	0.5
67.04202	0.5
67.05423	10.3
68.04948	1.6
69.03348	4.4
69.06984	2.6
70.02874	4.9
70.03290	0.9
70.06511	3.2
70.18721	0.5
70.19057	1.4
71.04935	0.9
72.08092	0.6
73.02834	4.5
73.03268	0.5
79.05407	8.4
79.05918	0.6
80.04942	1.4
81.03332	1.9
81.06971	12.0
81.07487	0.7
82.06575	6.4
83.04910	1.0
83.08534	2.3
84.08060	1.6
85.02905	12.8
85.03367	0.8
85.06451	1.2
86.05979	0.6
86.09616	1.5
91.03961	7.6
91.04490	0.4
91.05480	6.2
93.07043	12.4
93.07589	0.6
93.30048	0.5
94.06495	1.7
95.04867	1.4
95.08607	4.2
96.08125	5.1
97.02887	8.1
97.06467	1.1
97.10123	0.9
98.05964	1.8
98.97562	1.0
99.04352	0.5
101.02275	0.8
102.05504	0.4
105.07031	3.3
106.06512	0.6
107.04950	2.1
107.08594	5.2
108.08035	0.5
109.02816	1.0
109.06481	0.7
109.10063	1.8
110.09583	1.6
111.08000	0.9
111.58118	0.5
115.03928	0.9
117.07024	2.7
119.08500	1.8
120.08052	1.0
121.06386	0.7
121.10055	2.0
123.07983	0.5
123.11605	0.6
124.03864	0.6
124.99946	0.8
125.09532	0.7
127.03950	2.4
130.08531	0.5
131.08586	3.3
133.10132	3.0
135.07970	1.3
135.11716	2.2
136.07520	0.5
137.05940	0.9
145.04889	1.3
147.11551	1.2
149.05899	0.8
149.09570	0.8
149.13252	6.1
151.11166	0.5
158.99512	0.6
159.11705	5.6
163.03883	0.4
163.07460	0.6
164.06894	0.5
165.12704	1.0
166.08565	0.8
166.15889	0.6
173.05678	0.4
175.57445	0.5
176.14261	1.8
177.00916	0.4
177.05420	1.3
177.12721	7.1
178.05795	0.6
184.07364	3.3
189.37007	0.5
194.15402	36.3
206.15326	0.6
212.16388	1.8
219.13780	2.1
225.07077	0.5
250.18048	1.4
251.16470	0.7
268.19070	13.2
268.21973	0.7
269.17502	6.6
286.20114	100.0
287.20496	0.5
295.09399	0.6
302.13669	0.4
304.21201	2.0
311.18573	2.0
352.21225	0.5
353.19516	0.7
394.22177	0.7
412.23251	0.9
430.24530	1.6
448.25430	38.4
466.19724	1.0
466.26611	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	466.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.05506	2.0
56.96565	1.5
57.03443	7.9
57.07068	2.4
59.02288	0.8
59.23792	0.9
61.02928	1.1
66.06104	0.8
67.05514	5.9
69.03436	27.5
69.07069	4.7
70.73804	1.8
71.68388	1.0
79.05501	10.0
81.03424	2.3
81.07059	100.0
85.02909	20.0
87.04468	20.9
88.16348	0.9
91.05471	1.8
93.07046	3.3
95.04953	1.0
95.08610	18.7
97.02898	22.8
97.06538	3.1
99.04458	1.0
105.07070	1.2
107.08572	1.6
109.10159	2.3
111.04463	0.9
115.03935	39.3
119.08602	1.6
121.10155	1.4
127.03941	2.6
133.04973	45.4
133.10204	1.0
135.11681	1.3
137.13261	28.1
139.03917	1.4
140.37067	0.9
145.04974	4.5
145.10153	1.1
147.11664	1.2
149.13246	0.9
150.07619	3.1
159.11749	1.4
169.04958	1.2
177.12717	1.8
177.69914	0.9
179.14366	1.2
184.77718	0.9
200.10764	2.7
218.11777	4.0
241.07089	2.0
259.08185	3.2
267.09122	1.0
269.14862	1.0
269.17441	4.6
277.09225	1.8
280.93271	0.9
285.10110	1.2
295.10318	3.7
384.67886	1.0
451.59647	1.0
466.17593	0.9
466.28177	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
56.05021	0.7
56.96539	0.3
57.42275	0.3
58.06596	0.4
60.08166	6.5
61.02911	0.8
67.05502	0.6
69.03416	0.9
69.07045	0.4
70.06580	0.7
71.07383	2.8
71.56495	0.5
79.05470	0.6
80.00896	0.3
81.03427	0.4
81.07042	1.2
83.04966	0.3
83.08612	0.3
84.08123	0.2
85.02889	1.2
86.06049	0.5
86.09708	32.6
87.04447	0.9
91.05460	0.6
93.07031	0.8
95.04945	0.3
95.08596	0.9
97.02893	1.0
97.06529	0.6
98.98478	3.0
104.06479	0.3
104.07124	1.6
104.10748	7.7
105.07024	0.8
107.04937	0.4
107.08597	1.2
109.10142	0.4
110.07134	0.4
117.06999	0.3
121.10151	0.6
123.08101	0.3
124.07627	0.3
125.00008	20.6
125.09557	0.4
127.03920	0.6
131.08513	0.3
133.10121	0.4
135.11700	0.9
137.05963	0.9
145.10083	0.6
163.11139	0.6
165.12756	0.4
165.60587	0.3
183.13812	0.7
184.07344	100.0
227.12634	0.3
233.11760	0.5
258.11050	0.3
286.10703	0.3
303.04913	0.3
353.44226	0.3
448.20868	1.0
466.16055	0.6
466.22031	12.7
466.27682	0.6
467.15247	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37407	0.3
55.05508	1.0
56.05027	1.3
56.96554	0.6
57.03437	0.9
58.06596	1.3
59.70996	0.5
60.08165	14.4
61.02926	0.7
63.30140	0.4
67.05493	1.5
69.03422	0.9
69.07038	0.8
70.06586	0.9
70.11942	1.4
70.12328	0.7
71.04990	1.1
71.07372	5.2
73.02918	0.5
79.05494	2.1
81.03423	1.0
81.07061	2.2
83.04979	0.5
85.02918	2.1
86.09705	44.5
87.04469	0.5
91.05482	1.5
93.07044	2.8
95.04973	0.6
95.08610	2.4
97.02901	1.3
97.06544	1.3
98.97587	1.5
98.98475	2.9
104.10745	100.0
104.35565	0.4
105.07036	1.3
105.11055	0.5
107.04956	0.7
107.08613	2.1
109.10162	0.4
119.08574	1.0
121.06508	0.7
121.10148	1.2
123.08060	0.5
125.00005	21.6
125.53305	0.4
127.03951	0.7
135.11676	2.9
137.05963	1.0
145.10138	2.0
147.11621	0.6
163.01581	0.5
163.11186	3.3
165.12682	0.5
183.13852	2.4
184.07341	72.5
219.10255	0.5
227.12822	1.8
237.02655	0.6
258.11063	0.6
283.15561	0.5
323.08035	0.9
341.09161	0.7
395.12927	0.5
448.20981	4.4
466.22040	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02747	0.7
53.03922	0.7
55.01847	1.8
55.05306	0.7
55.05512	6.4
56.96534	1.0
57.03445	5.3
59.04962	0.8
61.02901	2.3
65.03926	1.1
67.05179	1.0
67.05504	14.1
69.03397	1.8
69.07074	9.8
69.68797	4.7
70.66054	0.8
71.04974	2.1
73.02898	2.3
73.72659	0.7
74.41412	0.8
79.05507	7.8
81.03406	1.2
81.07058	44.1
83.04974	4.0
83.08605	4.1
85.02890	4.8
85.06521	2.4
86.09725	1.0
91.03926	0.9
91.04903	0.9
91.05476	14.5
93.07050	8.4
95.04953	1.9
95.08609	11.2
97.02882	2.3
97.06540	6.6
98.20717	0.8
98.97567	1.9
99.08054	2.5
101.05981	0.8
105.07027	20.8
107.08600	8.2
109.06527	3.8
109.10146	2.1
113.05966	0.9
119.08575	14.1
121.09322	1.0
121.10133	11.4
123.08041	2.8
123.11701	17.5
127.00007	0.9
127.03934	1.9
127.07462	1.2
129.06956	1.5
131.00188	1.8
131.08528	1.7
132.13531	0.8
133.10107	3.0
137.05974	0.9
137.13280	2.0
141.09041	0.9
145.04958	0.9
145.10031	0.8
147.11694	46.0
149.01212	1.6
157.10104	2.8
161.02371	1.0
163.03893	0.9
165.12756	21.9
175.11281	1.9
177.00591	0.8
177.70718	0.8
179.06961	0.9
183.13802	4.5
184.07333	1.8
193.12173	1.8
201.05266	2.0
215.07082	0.9
216.07584	9.1
217.08369	3.8
227.05214	0.8
229.14331	10.5
230.09996	0.9
252.09352	1.9
252.59502	2.7
259.09555	1.1
259.12314	0.9
267.15924	48.0
268.16022	0.9
271.04221	1.5
285.16965	100.0
303.07684	1.3
379.13446	1.5
421.14722	12.2
447.27850	0.8
465.13681	44.0
465.30151	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	465.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	11.1
55.05536	6.5
57.03444	30.7
59.04975	6.9
61.02931	12.8
67.05485	12.5
67.93488	5.3
69.03423	42.7
69.07074	31.6
69.52570	32.5
71.01324	7.5
71.04993	21.2
71.67567	5.9
73.02921	44.3
79.05474	18.4
81.03423	21.3
81.07075	31.5
83.08614	9.9
84.12865	5.5
85.02908	100.0
89.86826	5.5
91.05475	22.4
93.07041	59.8
95.08598	19.6
97.02887	67.7
97.06555	10.2
98.97556	5.6
99.04456	7.9
103.03873	6.4
105.07008	17.6
107.08593	63.9
109.02882	12.0
109.06560	7.8
109.10135	9.5
112.63647	5.9
115.03933	22.7
119.08576	20.3
120.52243	5.6
121.10111	7.5
125.13242	10.3
127.03947	28.8
133.04968	42.1
133.10138	7.5
135.11688	56.0
137.13182	6.2
145.04926	31.2
147.11708	8.9
153.12764	77.6
163.06032	12.4
165.12766	20.7
175.11166	7.3
177.12704	10.1
189.12721	6.6
202.00020	5.3
203.73146	5.4
207.13811	6.8
219.14006	6.5
241.07109	8.0
259.08051	8.5
261.14941	7.4
267.15909	14.6
279.15823	10.1
285.17233	6.1
303.07623	7.6
315.17822	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01867	1.5
55.05513	6.0
55.73434	0.9
57.03439	4.3
61.02926	2.5
67.05512	11.2
69.03419	1.5
69.07069	7.8
70.07349	0.8
70.80671	2.5
71.05007	1.3
73.02910	0.9
79.05489	7.6
80.70213	0.8
81.03402	1.7
81.07059	43.9
83.04993	3.2
83.08629	2.8
85.02908	3.3
85.06541	2.7
87.15191	1.1
91.05473	12.6
93.07037	7.3
95.08618	9.6
97.02882	1.7
97.06528	6.0
99.08076	2.6
105.07027	16.6
107.08613	6.8
109.02845	1.2
109.06513	2.7
109.10175	2.2
115.07520	1.0
117.07067	1.1
119.08586	16.7
121.10151	13.0
123.08075	2.2
123.11720	17.5
127.03983	1.1
127.07558	2.1
133.10161	2.1
137.13167	0.9
145.10196	1.0
145.82376	0.9
147.11690	42.6
157.10170	1.9
161.21056	1.0
165.12764	20.6
175.11269	1.1
183.13791	3.1
193.12282	2.0
199.75406	1.0
216.07648	5.9
217.08357	6.0
229.14386	8.3
238.57500	1.1
240.83820	1.0
262.13120	1.0
267.15927	32.6
271.04333	1.6
285.16968	100.0
302.07364	1.3
303.07681	1.9
379.13507	2.8
421.14780	20.9
447.22214	4.1
465.13705	61.1
466.14005	1.0
484.79272	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	0.4
61.02909	0.2
63.83617	0.2
65.06924	0.2
66.87296	0.2
69.03436	0.5
69.07083	0.2
69.45296	1.4
70.06583	1.0
79.05492	0.4
80.72948	0.2
80.79504	0.2
81.03416	0.3
81.07063	0.4
85.02908	1.2
86.09737	0.3
91.03935	0.3
91.05508	0.3
93.07047	0.3
97.02889	0.6
98.20753	0.3
98.97578	0.7
121.06483	0.3
130.06580	0.3
134.05887	0.3
137.06000	0.8
138.06317	0.3
144.08200	0.3
153.01862	0.5
162.05594	0.2
171.09926	1.5
177.05455	0.4
178.05830	0.4
219.01843	0.4
237.02832	0.6
247.08449	0.3
261.10199	0.4
285.12512	0.5
303.01639	0.5
303.05005	7.0
303.13553	0.6
317.08667	0.4
333.15216	12.7
405.14337	0.9
455.74121	0.3
465.19495	100.0
466.19705	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.4
55.04438	4.3
55.05501	13.7
56.96563	73.8
57.35798	3.8
67.05501	17.2
69.07066	10.6
70.98110	4.3
71.56187	5.1
74.97605	9.0
79.05503	20.4
81.07056	18.8
83.08600	6.5
84.96028	4.3
86.32069	4.2
86.97610	5.2
91.05482	10.9
93.07043	23.3
95.04982	6.7
95.08604	12.1
97.10143	5.2
98.97588	35.4
98.98519	4.7
105.07030	9.4
107.08591	17.6
109.06493	6.5
109.10112	10.3
114.97029	8.2
116.98640	16.7
117.07016	4.9
119.08585	7.1
121.10145	10.5
132.98100	12.3
134.99678	6.9
135.11679	8.0
144.98083	9.3
145.10123	6.4
149.13261	8.3
150.99136	25.5
155.00998	4.4
161.81853	4.8
162.99130	9.1
169.00180	4.4
175.00053	100.0
184.07468	4.9
193.00226	15.6
211.01236	7.2
228.91063	4.3
291.23343	5.9
292.67612	5.0
303.05054	5.7
311.25754	9.0
315.16171	20.5
316.83960	4.4
317.17816	11.3
329.18622	9.7
333.17328	22.6
347.18958	10.0
351.18399	7.6
353.26773	5.4
367.17310	5.9
368.17953	9.2
389.19778	10.1
405.19476	95.9
417.19543	14.9
433.19705	4.8
433.31366	5.5
446.22104	9.5
447.20496	47.4
465.24026	18.4
465.33896	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	465.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01863	0.8
55.05251	0.2
55.05495	0.9
57.03439	1.0
60.85821	0.2
61.01149	0.3
61.02927	2.4
67.05491	0.6
67.96870	0.2
68.99781	0.6
69.03429	3.7
69.07063	0.3
69.23666	1.7
70.06590	3.0
71.04980	0.6
71.06933	0.2
72.08152	0.3
73.02910	0.8
79.05500	0.2
81.03419	2.3
81.07042	0.5
83.01289	0.2
83.04975	0.3
83.08602	0.3
84.04462	0.3
85.02905	11.5
86.09716	0.5
87.04458	0.6
91.03947	0.9
91.05475	0.5
93.07028	0.7
95.04945	0.3
95.08598	0.5
97.02288	0.3
97.02897	4.2
97.03516	0.4
97.06540	0.3
98.97573	0.5
99.04437	0.6
105.07036	0.5
107.08592	0.7
109.02905	1.9
111.00782	0.9
115.03915	0.3
117.07001	0.2
118.06897	1.2
120.08085	0.2
121.02866	0.9
123.04472	0.3
126.05594	0.2
127.03928	1.9
131.04922	0.3
133.05016	0.2
135.11679	0.4
137.02336	4.1
137.03358	0.2
137.05959	0.4
141.69887	0.2
145.04953	2.1
149.02296	0.5
153.01814	4.4
155.04935	0.3
161.05943	0.2
163.03922	0.7
165.01843	2.4
166.02599	0.4
173.06010	0.6
177.05443	0.2
183.02904	0.9
183.04369	0.3
184.12637	0.3
187.03889	0.5
191.06628	0.2
195.02969	0.5
201.05447	2.4
206.64442	0.3
207.02890	0.3
213.05469	0.4
219.06473	0.5
220.15009	1.2
220.65089	1.8
221.14949	0.7
224.08060	0.3
229.04977	4.8
229.15614	1.2
229.65645	1.8
230.15363	0.6
237.14378	0.6
238.16014	7.7
238.66127	7.3
239.15974	3.6
246.14886	1.8
246.65065	0.8
247.06084	0.5
257.04437	3.2
267.15799	0.3
274.04672	0.8
285.04031	1.6
285.16763	0.2
303.04987	100.0
304.05286	1.3
333.62015	0.2
464.75589	0.2
464.82837	1.1
465.17459	1.3
465.32822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2411
Annotation	Rosellichalasin
Peak:m/z	Relative Intensity
55.05497	1.4
55.86088	0.4
56.05014	0.6
57.03419	0.6
57.42503	0.4
58.06588	1.0
60.08166	15.6
63.70009	0.3
67.05499	2.2
70.06579	0.4
70.73275	1.0
71.07376	5.6
79.05506	3.0
81.03410	1.1
81.07053	2.1
83.04958	0.9
85.02866	0.4
86.09708	44.2
91.05495	2.6
93.07050	1.6
95.04995	0.5
95.08608	1.1
97.06539	0.7
98.98467	3.2
104.10746	100.0
105.07024	1.8
107.04914	0.5
107.08614	0.6
109.03928	0.4
109.10157	0.5
119.08593	0.9
121.10092	0.6
125.00004	24.1
129.07071	0.7
133.10126	0.8
143.35417	0.4
147.11653	0.7
163.01596	0.5
171.11717	0.5
184.07344	78.1
198.24216	0.4
260.30667	0.4
281.17621	0.4
287.05173	0.5
302.07504	1.5
352.25610	0.6
382.03476	0.5
402.22763	0.5
413.23203	0.4
446.23013	6.7
446.29111	0.5
464.24091	40.0
465.24280	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03944	0.5
55.01875	0.5
55.05497	0.6
57.03450	1.0
60.38576	0.2
61.01152	0.4
61.02922	1.9
62.95709	0.2
67.05486	0.4
68.99776	0.7
69.03087	0.3
69.03430	3.7
70.06595	2.6
71.04995	0.5
71.10345	0.5
73.02894	0.8
79.05489	0.3
81.03413	2.0
81.07039	0.5
83.31017	0.2
85.02909	10.6
86.09714	0.3
87.04464	0.4
91.03937	1.0
91.05485	0.6
93.03423	0.5
93.07038	0.3
95.04939	0.5
95.08606	0.2
97.02295	0.3
97.02894	3.5
97.06519	0.2
98.97581	0.4
99.04447	0.6
104.56810	0.2
105.07045	0.3
107.08559	0.3
108.43505	0.2
109.02889	1.6
111.00793	1.0
115.03926	0.2
118.06858	0.8
119.07153	0.2
119.08553	0.5
120.08089	0.4
121.02866	1.2
121.10220	0.2
123.04403	0.4
127.03912	1.8
135.11642	0.3
136.07523	0.2
137.02332	3.4
137.03313	0.4
137.05969	0.4
145.04935	1.8
145.06337	0.2
149.02347	0.7
153.01833	4.4
153.12677	0.3
155.04892	0.3
161.05902	0.3
163.03902	0.8
165.01840	2.3
173.06001	0.4
175.11832	0.2
183.02985	1.0
183.04404	0.3
187.03920	0.5
191.03510	0.3
193.12347	0.2
201.05440	1.9
219.02882	0.2
220.14986	1.0
220.65102	0.5
221.14880	0.5
229.02840	0.2
229.04961	4.7
229.15517	0.9
229.65508	0.7
237.14398	0.4
238.15997	4.6
238.66159	4.4
239.16052	1.7
239.66197	0.3
246.14905	0.9
246.64986	0.3
247.06070	0.5
257.04440	2.8
259.08508	0.3
274.04733	0.8
283.40677	0.2
285.03937	1.1
285.16922	0.4
303.04990	100.0
304.05334	1.2
333.62039	0.3
435.48898	0.2
464.83017	0.5
465.17160	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3782
Annotation	CHEBI:70526
Peak:m/z	Relative Intensity
55.05499	31.3
55.36947	11.5
57.07060	30.1
67.05489	43.0
69.07082	71.7
69.21150	100.0
71.08608	27.1
78.16682	9.9
79.05488	20.0
81.07056	98.1
83.08603	25.3
85.10178	14.6
88.88489	9.6
91.05478	24.1
93.07043	59.2
95.08604	90.0
95.77715	9.5
96.32790	12.6
97.10159	20.9
105.07033	53.9
107.08566	51.1
109.10169	49.8
111.11751	13.0
116.35200	9.8
119.08572	59.9
121.10143	52.4
123.11683	29.5
131.08580	30.6
133.10086	31.5
135.11711	34.8
137.13257	12.2
143.08521	11.5
145.10120	33.1
147.11673	22.9
149.13225	20.2
159.11673	38.5
161.13287	17.6
163.14841	16.4
168.07867	9.1
175.14801	24.3
177.16335	14.0
187.14780	12.6
189.16379	19.4
195.27426	10.1
199.14832	13.8
308.15091	9.2
343.33804	17.4
403.35703	14.5
410.35037	23.1
427.35623	47.8
428.35928	10.4
445.36548	69.5
446.37155	33.2
463.39240	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	464.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.2
55.05511	0.3
56.05037	0.5
57.03424	0.2
58.06624	0.4
60.08166	5.9
61.02922	0.2
64.53182	0.2
67.05502	0.5
68.70925	0.2
69.03430	0.2
69.07061	0.2
69.20804	0.4
69.21219	1.4
70.26301	0.2
71.07379	2.4
79.05473	0.8
81.07049	0.8
83.04993	0.2
85.02910	0.5
86.09708	30.5
91.05467	0.7
93.07040	0.7
95.04957	0.3
95.08613	0.3
96.90382	0.2
97.02892	0.3
97.06571	0.3
98.21474	0.3
98.98464	2.7
104.10744	3.2
105.07034	0.4
107.08607	0.3
119.08611	0.5
121.10134	0.2
125.00008	20.6
126.12870	0.2
127.03923	0.3
133.10121	0.2
137.05957	0.2
147.11676	0.3
184.07344	100.0
185.07782	0.2
186.09001	0.2
226.34732	0.2
252.09424	0.2
267.15860	0.6
287.05069	0.3
301.07056	0.6
302.07364	0.8
446.22931	1.0
464.24219	4.9
464.29910	0.5
474.86334	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3783
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05519	19.5
57.07079	19.1
60.97845	3.0
67.05494	12.2
69.07076	34.7
71.08635	16.3
71.20260	7.7
78.00154	3.5
79.05508	8.0
81.07059	30.2
81.84903	4.2
83.08627	26.5
85.06525	3.5
85.10192	9.3
91.05473	9.1
93.07041	15.9
95.04971	4.1
95.08611	19.4
97.10166	14.3
105.07036	11.3
107.08604	18.6
109.06525	6.6
109.10145	13.9
111.11728	6.3
119.08576	9.8
121.10136	13.1
123.08064	4.7
123.11711	8.0
124.08775	5.0
125.06037	7.2
131.08582	5.7
133.10112	11.7
135.08092	4.7
135.11729	3.7
137.05957	19.8
139.07538	36.5
145.10106	9.2
147.11723	5.0
149.05919	3.7
149.09634	10.1
149.13301	5.5
151.07544	12.4
159.11652	6.6
161.09680	5.6
163.11140	5.0
165.05472	11.7
165.09204	7.0
167.07013	12.1
169.10094	4.0
170.41383	3.6
171.11790	6.2
173.13269	4.0
177.09103	100.0
179.07013	10.4
181.08603	7.0
193.08614	14.2
203.17946	3.4
227.17979	4.0
280.93134	3.7
307.29764	3.9
339.55902	4.5
399.36340	13.8
403.35953	18.9
417.37329	19.1
427.35895	18.8
435.37955	4.3
445.36841	62.9
463.38751	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	463.3783
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
51.46254	2.0
53.78273	1.8
55.05512	15.0
57.07079	27.9
63.09475	1.9
65.12718	1.8
67.05494	8.6
69.07076	25.4
70.90911	4.6
71.08630	26.8
79.01069	1.9
79.05499	5.9
81.07060	19.0
83.08620	19.4
85.10181	13.9
91.05473	4.1
93.07042	10.8
95.04955	1.9
95.08611	12.7
97.02892	2.3
97.09621	2.0
97.10138	10.1
99.04460	3.5
102.34922	1.8
105.07035	5.8
107.08622	6.4
109.06519	10.8
109.10149	9.1
111.08079	3.2
111.11726	7.2
119.08562	4.9
121.06513	4.0
121.10152	3.8
123.08052	12.2
123.11708	5.7
125.06015	16.1
127.07556	44.7
133.10178	3.7
135.08075	4.3
136.10385	2.2
137.05972	6.6
137.09673	4.6
139.07542	100.0
151.07555	5.8
153.09099	2.4
165.09096	3.4
167.07037	4.1
173.09613	2.3
177.09082	20.4
179.07030	1.9
195.10204	2.3
207.13861	2.9
219.13934	2.2
301.28888	3.3
319.29843	11.3
347.33029	16.9
373.31155	4.4
399.36292	4.3
403.35947	3.5
417.37131	16.8
427.35599	2.9
445.36783	56.0
463.37802	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3787
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05507	12.7
57.07079	32.6
67.05493	7.5
69.07072	27.8
71.08633	25.8
71.55902	2.8
78.87290	1.9
79.05488	5.3
81.07073	16.7
83.08627	13.4
84.63280	2.4
85.10188	17.9
91.05500	5.9
93.07044	7.5
95.08608	19.5
97.02822	1.9
97.06533	3.3
97.10167	11.9
98.68910	2.2
99.04440	3.6
102.29043	2.0
105.07029	8.7
107.08607	7.3
109.06550	13.1
109.10170	12.9
111.08128	3.1
111.11721	7.4
119.08578	7.1
121.10136	5.3
123.08066	10.3
123.11717	5.6
125.06007	17.9
126.50844	2.2
127.07570	42.5
131.08537	3.1
133.10110	3.9
135.08098	3.1
135.11765	2.5
137.06046	5.4
137.09621	6.0
139.07547	100.0
145.10130	2.5
147.11678	3.3
149.06010	6.4
149.09598	5.2
151.07567	11.4
151.11169	2.3
163.07509	2.5
165.09122	4.7
167.07115	4.2
173.09618	3.5
175.11148	2.8
175.14941	3.3
177.09093	17.5
207.13707	2.9
249.15047	3.3
278.07199	2.8
301.28998	4.7
319.30069	8.2
347.33081	16.1
373.30917	4.7
399.36319	4.0
403.35532	2.8
417.37289	22.1
426.86469	2.4
427.35687	3.5
445.30609	4.9
445.36792	70.8
463.37854	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01875	1.9
55.05512	12.4
56.96561	1.5
57.03439	7.6
57.07073	2.8
57.93395	1.0
61.02950	1.9
61.03252	1.1
63.27330	0.9
64.69855	1.0
65.03949	1.1
66.84225	1.0
67.05510	30.1
69.03426	2.1
69.07077	10.9
71.04990	2.1
71.08634	33.6
72.10956	0.9
79.05499	31.6
81.03400	5.2
81.07061	36.2
83.04978	7.2
83.08630	7.3
85.02896	1.7
85.06560	2.1
88.65303	1.0
91.05482	17.7
93.07047	39.8
95.04948	5.1
95.08610	23.0
97.02880	2.2
97.06532	7.4
97.10146	1.6
98.20763	1.9
98.98473	1.0
99.04504	1.5
99.08104	18.5
105.07038	14.4
107.04923	5.3
107.08599	19.5
109.06525	3.9
109.10167	11.0
111.08081	2.8
112.87558	0.9
113.00021	30.8
113.09660	2.0
117.07059	2.1
119.08585	12.3
121.06519	1.4
121.10145	18.9
123.08057	2.4
123.11708	1.7
125.09637	1.0
129.07024	1.9
131.08569	3.5
133.10127	10.4
134.56026	0.9
135.11703	18.3
137.09645	2.3
139.77855	1.3
141.09097	2.7
143.08566	1.9
145.10158	3.4
147.11681	3.9
149.09662	1.2
149.13242	7.8
151.11197	14.1
157.79306	1.0
159.11716	3.5
161.13268	10.2
163.11198	6.7
167.10716	1.6
169.02655	9.5
169.12325	1.2
171.11722	2.0
173.13226	1.0
175.14871	2.3
177.12796	2.7
179.14330	57.0
185.13300	1.0
187.03662	2.3
189.12872	1.4
195.13875	2.3
217.07494	1.0
217.15926	1.3
221.15404	1.1
231.21152	1.2
235.16966	3.0
241.19611	2.2
258.05258	1.0
259.20480	4.6
277.21622	41.7
285.10126	1.9
286.04718	2.9
287.05505	1.5
301.07135	6.3
309.24313	1.4
347.16248	2.0
351.25314	100.0
406.37311	1.1
445.23590	3.0
445.29510	1.8
463.26837	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	463.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
55.01872	3.5
55.05510	16.3
57.03436	9.9
57.07064	3.4
61.63442	1.7
65.03940	3.5
67.05507	42.6
69.03439	1.8
69.07075	13.7
70.65065	3.7
71.04990	4.5
71.08633	39.8
72.06302	1.5
79.05494	35.7
81.03435	7.3
81.07061	50.9
83.05001	7.4
83.08614	6.6
85.06530	4.0
91.05486	25.7
93.07044	41.5
95.04948	8.9
95.08614	33.2
97.06534	9.7
97.10165	3.8
98.98483	7.0
99.04478	1.4
99.08098	29.4
105.07046	20.6
105.28487	1.5
107.04947	5.5
107.08608	26.5
109.06502	3.8
109.10155	12.2
111.08067	3.5
113.00022	100.0
113.09641	3.9
117.07018	4.8
118.96338	1.6
119.08578	16.4
121.06543	1.6
121.10155	23.6
123.08113	2.5
123.11743	2.3
129.06996	1.8
131.08575	5.8
133.06499	1.8
133.10130	12.5
135.11691	22.8
137.09622	4.9
139.07590	1.9
141.09090	3.5
143.08627	1.8
145.10149	5.9
147.11702	6.8
149.13254	7.3
151.11180	17.4
153.12746	1.5
154.02644	1.6
155.01074	5.8
157.10123	2.8
159.11710	4.4
161.13251	17.1
163.11234	9.2
163.14862	1.9
165.12747	3.2
167.10698	2.1
169.02628	45.0
171.11678	2.9
177.12762	3.7
179.14320	72.6
185.13199	1.8
187.03645	8.7
195.13713	2.3
217.19461	1.9
221.15407	1.7
227.12640	2.0
231.21095	2.3
235.16951	2.6
241.19566	5.3
258.05490	2.7
259.20618	7.0
277.21658	54.1
286.04620	3.9
301.06998	14.8
306.61328	1.8
309.24353	9.6
347.16345	8.1
351.25311	90.9
358.16699	2.0
437.52194	1.6
445.23572	13.0
463.30869	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	463.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.01872	4.0
55.05510	17.9
56.96581	1.4
57.03438	9.0
57.07069	2.7
58.43547	0.8
59.04980	1.0
61.02913	0.9
65.03936	1.5
67.05506	40.4
69.03435	3.0
69.07070	15.3
69.86633	1.4
69.87047	3.2
70.72830	0.8
71.01336	1.1
71.04977	1.6
71.08633	22.2
79.05495	25.2
81.03420	14.5
81.07061	31.7
83.04975	5.8
83.08617	9.4
85.02903	3.6
91.05486	17.4
93.07045	26.0
93.07639	1.6
95.04971	10.8
95.08612	19.4
97.02895	3.1
97.06520	4.7
97.10175	7.7
98.21477	1.0
99.07484	0.7
99.08090	18.8
105.07027	14.9
107.04961	3.8
107.08600	21.0
108.91106	0.8
109.02855	1.1
109.06532	3.8
109.10158	14.4
111.04438	1.2
111.08063	2.9
113.00019	100.0
115.89973	1.0
117.07027	3.7
119.08588	10.3
121.06540	1.2
121.10155	7.9
123.08082	2.9
123.11726	3.3
124.34755	0.9
125.09636	7.9
127.03900	1.3
129.07005	3.7
131.08533	4.8
133.06468	1.4
133.10123	9.7
135.08078	1.9
135.11694	8.9
137.09685	2.1
139.11229	1.1
143.08582	3.0
145.10101	5.3
147.11656	6.6
149.13254	4.7
151.11185	18.9
153.09093	4.9
153.12752	1.7
155.10648	1.1
157.10153	1.8
159.11736	2.1
161.13258	11.5
163.11172	9.1
163.14847	2.6
165.12762	3.2
167.10701	0.9
169.02620	40.2
169.12279	1.0
171.10278	1.6
171.11693	3.1
173.04460	1.3
173.11829	2.1
173.13307	2.3
175.14848	2.8
177.00813	1.0
177.12727	2.8
179.14302	12.7
181.12257	1.9
185.13239	2.7
187.03702	8.2
189.11234	3.3
189.12753	1.2
191.10768	1.1
195.13774	1.0
207.13766	1.5
209.11708	1.6
219.13937	0.9
221.15431	1.3
224.08076	1.2
227.12802	8.9
229.14340	5.8
231.21246	2.0
241.19490	6.9
245.04652	1.0
249.22121	1.5
253.17986	1.2
259.20566	8.6
277.21622	45.1
283.15567	4.0
286.04648	1.6
295.22528	2.0
301.07031	4.7
307.09335	1.4
321.11020	6.1
333.24133	1.3
339.11731	1.0
347.16269	2.5
351.25302	80.7
427.22409	1.2
445.23682	5.7
463.21445	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1233
Annotation	Isoscoparine
Peak:m/z	Relative Intensity
53.27297	0.6
55.01855	0.8
55.35915	0.5
57.03426	0.8
61.02903	1.4
63.79419	0.6
67.05468	0.8
69.03410	0.8
69.53293	1.6
69.53710	2.5
70.06559	1.3
79.01824	1.4
79.05476	1.2
81.03388	1.4
81.07030	1.4
83.08622	0.8
85.02901	3.4
86.09697	0.8
91.05418	1.0
93.07014	1.4
95.04951	1.0
95.08588	0.9
97.02863	1.5
97.06555	0.8
98.21473	1.3
105.07041	1.1
109.02856	1.8
109.10126	0.7
120.08092	0.6
125.02209	0.6
135.11685	1.2
136.07559	0.8
137.02344	8.1
139.29355	0.6
149.01108	0.7
149.05956	1.7
150.09254	0.8
151.03900	15.9
151.04985	1.3
157.94585	0.6
163.11171	0.8
164.06903	0.7
165.01894	3.3
175.03867	1.5
177.01884	2.0
187.07545	0.8
189.05458	2.0
192.04163	1.1
203.03270	0.6
215.06995	1.0
217.04955	4.5
219.13789	0.7
226.06084	0.7
227.06926	0.9
227.12724	1.1
231.74936	0.7
233.04625	1.1
243.03018	2.9
243.06541	4.8
244.07297	2.4
258.05194	1.5
261.03818	3.0
270.05124	2.7
271.05981	2.3
272.06790	4.4
273.07278	0.7
281.04291	0.9
282.05222	0.7
283.05896	1.4
283.15302	1.7
284.06812	2.0
285.07516	2.8
286.04703	3.5
286.08344	4.4
295.05975	1.1
296.06750	1.5
298.04718	16.3
298.08011	0.8
299.05411	3.6
300.06262	8.9
301.07108	7.6
309.07440	0.8
310.04749	4.7
310.08316	3.2
311.05515	9.0
312.06262	9.2
313.07040	69.4
314.07794	19.1
324.06268	4.3
325.07004	12.1
327.05139	1.0
327.08615	13.6
328.05771	20.9
337.07147	1.3
338.04120	0.9
338.07822	9.5
339.08582	2.5
340.05774	2.3
341.06418	3.0
342.07291	0.8
343.08109	91.4
344.08606	1.6
351.04691	0.7
352.05844	3.5
353.06403	1.4
353.10175	15.5
355.08176	4.5
357.09659	2.1
367.08112	21.5
373.09180	7.4
379.08121	1.8
381.09726	5.2
385.09113	2.5
391.08020	0.8
395.27460	0.7
397.03998	0.9
397.09152	14.6
399.10416	1.0
409.09119	9.8
427.10257	31.3
428.10321	0.7
445.11273	52.4
446.11646	0.9
463.12329	100.0
464.12936	1.5
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	Unknow
Peak:m/z	Relative Intensity
54.06623	0.1
69.03413	0.1
69.27155	0.7
74.11813	0.1
85.02888	0.1
153.01843	0.4
153.70541	0.1
229.04936	0.2
257.04529	0.2
258.05237	12.6
259.05713	0.2
286.04724	33.2
287.05170	0.4
301.07065	100.0
302.07379	1.4
328.47821	0.1
455.40045	0.1
463.12289	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1233
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
50.40709	0.1
51.84588	0.1
55.84806	0.1
56.48562	0.1
70.81618	0.3
70.81937	0.2
72.54781	0.1
77.31477	0.1
149.05931	0.2
153.01807	0.2
229.05020	0.2
257.04700	0.2
258.05240	13.6
259.05746	0.2
282.87210	0.1
286.04712	36.2
287.05219	0.3
301.07053	100.0
302.07379	1.1
441.53207	0.1
463.12408	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29076	1.1
53.03941	2.2
55.01864	3.5
55.05512	10.1
56.96548	1.0
57.03444	2.6
57.38312	0.9
57.92023	1.0
67.05513	15.7
69.03418	3.0
69.07069	14.5
69.75180	3.8
69.75591	2.2
71.05007	1.2
79.05499	19.2
81.03433	9.3
81.07066	34.7
83.04987	4.1
83.08621	6.3
85.02927	2.4
85.06558	2.2
91.05493	18.1
93.07039	12.5
95.04964	11.9
95.08607	7.6
97.06534	7.8
97.10146	5.5
98.97562	1.3
99.08118	1.9
105.07034	10.6
107.04968	7.6
107.08590	10.0
109.06519	4.0
109.10153	6.0
111.08099	3.5
115.05412	1.3
117.07028	7.8
119.04945	4.7
119.08593	17.1
121.06493	5.3
121.10131	6.3
123.04428	2.3
123.08069	4.6
125.09659	5.4
129.07036	4.2
131.04913	1.6
131.08578	7.5
133.06508	3.5
133.10138	4.5
135.04436	4.4
135.08057	5.0
135.11726	2.1
137.05989	25.8
137.09622	4.5
141.06894	1.1
143.08598	2.2
145.10109	8.1
147.04425	4.0
147.08032	8.3
147.11716	2.8
149.05975	3.3
149.09630	8.3
157.06482	2.5
157.10175	3.9
159.08092	3.0
159.11743	2.3
161.06007	5.6
161.09639	3.7
161.13371	1.3
163.07573	3.5
163.11188	4.1
167.08521	1.2
171.11722	2.3
173.06023	2.0
173.09645	1.9
173.11707	2.0
173.13136	1.2
175.07530	2.8
175.11166	2.3
176.44312	1.0
177.07744	1.4
177.09166	2.3
187.07588	3.2
189.09103	3.4
189.11220	1.5
193.12294	4.7
199.11163	1.9
211.13321	3.9
213.12811	1.4
217.12347	1.7
223.13361	3.3
229.12422	2.0
233.11819	1.6
245.19206	1.5
249.14891	3.1
255.17455	2.0
273.13797	1.2
273.18506	9.3
285.14868	3.3
289.14273	1.4
291.19553	67.1
292.20081	1.9
295.34097	1.1
301.07138	4.1
302.17532	9.4
303.15860	5.6
329.17413	1.4
347.18530	1.5
391.22943	1.3
400.24789	4.9
408.30542	1.1
409.23715	7.1
418.25192	3.1
427.24768	14.7
428.91275	1.2
430.25830	2.0
444.27603	7.2
445.25882	11.8
462.09167	2.0
462.28549	100.0
463.28772	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66797	0.9
53.03947	1.8
55.00032	0.8
55.01869	3.1
55.05513	11.5
55.69073	1.0
57.03420	2.0
67.05517	12.2
69.03431	2.1
69.07069	11.8
69.24815	9.0
71.04987	1.7
79.05073	1.5
79.05497	20.4
81.03423	8.2
81.07059	40.1
83.04974	4.1
83.08610	7.3
91.05483	18.3
93.07054	11.6
95.04971	14.5
95.08614	8.1
97.06541	3.9
97.10165	7.3
98.20733	2.3
105.07033	8.1
107.04951	6.3
107.05522	0.8
107.08591	10.3
109.06512	3.7
109.10123	4.4
111.08074	2.9
115.05380	1.1
117.07032	10.6
119.04942	6.5
119.08585	20.0
121.06513	6.8
121.10120	6.5
123.04413	2.7
123.08065	3.4
123.11790	1.0
125.09630	5.8
129.07013	4.3
131.08569	8.6
133.06479	3.4
133.10120	3.4
135.04424	3.7
135.08055	5.6
135.11676	1.7
137.05978	34.3
137.09608	2.2
141.07025	1.8
143.08592	3.7
145.06493	1.2
145.10117	9.9
147.04402	3.8
147.08046	13.1
147.11662	2.6
149.05988	3.5
149.09613	5.8
157.06442	1.1
157.10138	3.1
159.08110	2.3
159.11691	4.5
161.05960	5.5
161.09657	4.4
163.07526	1.5
163.11200	5.2
167.08421	1.1
171.11678	2.7
173.06026	1.8
175.07533	1.4
175.11180	3.4
176.10663	1.1
176.79639	1.0
185.09633	1.5
185.13281	1.9
187.07565	2.7
189.09212	1.6
189.11224	2.4
189.12755	1.0
193.12254	5.8
211.13177	5.8
223.13298	4.4
227.18019	1.2
231.13934	1.0
249.14877	5.0
255.13881	2.6
255.17380	2.2
272.16653	1.4
273.18512	14.0
285.14792	1.7
289.14365	1.1
291.19547	100.0
292.19965	1.2
294.79196	1.0
301.07156	2.3
302.17545	3.2
303.15881	7.3
319.42938	1.0
329.17508	1.5
386.23416	1.1
409.23795	3.0
410.23959	1.0
427.24869	7.7
444.21423	1.0
444.27280	4.6
445.25891	10.2
462.28494	79.3
474.06995	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.2
53.03933	3.8
55.01880	2.7
55.05505	8.5
57.03433	2.0
65.03933	2.4
67.05506	22.7
67.05854	0.8
69.03421	2.9
69.07067	30.9
69.58504	7.6
71.04991	1.8
79.05489	14.7
81.03418	17.6
81.07056	21.4
83.04964	5.3
83.08614	5.0
91.05481	26.6
93.07042	13.4
95.04971	10.0
95.08599	12.5
97.06520	6.5
97.10187	7.2
97.36713	1.2
105.07048	8.6
107.04336	0.9
107.04948	26.1
107.05623	1.9
107.08585	9.2
109.06538	4.0
109.10153	12.3
111.08131	1.6
115.05490	1.4
117.07000	6.6
119.04951	11.4
119.08569	11.3
121.06523	5.8
121.10158	5.2
122.06023	2.0
123.08067	4.5
125.09624	6.4
129.07007	3.9
131.08549	7.6
133.06500	4.6
133.10124	3.6
135.04439	2.4
135.08044	5.2
135.11665	2.7
137.05978	61.3
137.09621	11.4
141.06946	1.5
143.08548	3.0
145.10097	6.8
145.22627	1.0
147.04420	3.7
147.08072	4.4
147.11635	2.5
149.06012	3.7
149.09610	25.8
149.10757	1.9
150.05498	2.7
151.06290	2.8
154.08649	2.6
155.10680	3.7
155.94745	1.2
157.06535	2.0
157.10152	4.7
159.08061	1.7
159.11679	2.7
161.05984	2.5
161.09615	2.7
163.11206	4.0
171.11647	1.2
173.05997	4.0
173.09604	2.1
173.11710	5.9
175.07571	1.8
175.11238	3.9
177.12708	3.1
181.10124	1.3
185.09560	2.0
187.07622	2.0
187.11258	2.2
189.11267	2.7
189.12814	1.5
193.12270	1.9
199.11253	1.8
200.14285	1.0
203.10770	2.6
211.07591	1.3
215.10684	2.1
217.12123	1.7
221.11687	1.5
223.13345	2.5
229.12294	4.3
243.14142	1.3
249.14868	1.4
252.67763	1.1
255.13750	2.1
273.18494	9.1
283.70151	1.1
285.14828	1.5
287.12732	1.1
291.19525	72.8
292.20084	1.7
302.17538	1.3
309.20483	1.7
311.16556	1.4
329.17511	2.1
339.15933	1.2
346.20087	7.1
357.17014	1.3
399.25195	1.3
409.23761	5.7
426.26395	2.3
427.24890	17.4
444.27438	6.8
445.25937	4.6
462.28510	100.0
463.29031	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30105	1.3
53.03933	3.2
55.01865	4.1
55.05510	10.4
57.03436	7.3
61.02911	2.6
63.98944	1.3
67.05190	1.6
67.05514	22.4
69.03434	4.1
69.07079	8.4
71.04951	1.8
74.23978	1.6
74.92888	1.4
79.05495	28.7
81.03394	5.6
81.07067	20.6
83.04971	6.2
83.08624	4.0
84.08103	1.5
85.02914	8.2
85.06500	1.6
86.03291	1.7
87.00840	2.1
91.05490	20.0
91.32850	1.4
92.05799	1.5
93.07053	24.6
95.04973	7.7
95.08598	10.0
97.02914	3.2
97.06543	9.4
97.10153	1.8
98.20805	3.6
103.05444	2.1
105.01885	1.7
105.07030	17.5
107.04962	4.4
107.08614	9.9
109.02846	2.2
109.06508	3.3
109.10116	3.1
112.99984	2.2
117.07050	3.0
119.04941	1.6
119.08582	10.5
121.06517	1.5
121.10144	4.9
123.08089	4.4
127.03909	4.7
129.07005	6.6
131.08533	1.7
133.10120	5.2
135.08080	2.4
136.08415	1.5
137.05998	2.3
143.08572	2.6
145.04932	1.9
145.10121	4.1
147.06761	4.2
147.11670	15.8
148.07074	2.3
149.09628	1.8
159.11606	1.8
161.09639	1.7
161.13249	5.7
163.07521	2.7
163.11140	2.2
164.07939	2.4
167.10612	1.8
171.11693	9.4
175.07642	1.9
176.10701	2.0
177.07790	3.3
177.11102	1.8
189.12715	4.3
195.10118	5.7
196.10529	4.4
203.17863	1.5
204.10161	2.7
205.10703	2.9
207.13782	7.2
213.14696	3.4
241.14088	3.2
250.09821	2.6
275.20038	2.5
281.17490	100.0
331.12338	9.2
349.23828	4.1
373.21948	3.2
375.19989	11.5
388.20642	3.1
399.23343	3.5
416.24161	4.2
417.25125	52.9
461.19855	50.4
461.27142	46.1
462.28259	1.6
468.25272	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	462.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51945	0.7
69.74438	3.3
72.08148	1.0
72.43909	0.6
84.08147	1.4
85.02900	1.5
91.05483	1.3
92.58194	0.6
98.97620	0.8
103.05433	0.8
110.37743	0.6
113.62657	0.6
115.05454	1.1
122.03643	1.7
123.04507	0.6
124.67552	0.6
131.04907	0.7
135.08173	0.8
137.05983	31.0
143.04965	1.1
143.15292	0.7
146.06027	0.8
147.04395	6.6
149.05978	0.9
151.03915	2.3
152.07120	1.4
159.04442	1.0
161.06012	2.0
162.05505	2.8
163.06300	2.8
164.07095	6.2
164.95062	0.7
165.07033	0.9
167.08574	1.1
175.03883	1.9
177.05443	1.9
177.07024	6.0
181.06500	1.4
187.03929	1.7
192.06552	1.8
193.06464	0.8
194.07375	2.0
195.08066	2.1
204.08139	1.9
205.06491	23.6
205.08386	1.3
206.07138	0.6
207.08159	0.7
210.06740	0.8
211.07468	1.6
219.08095	0.9
221.06004	2.5
222.06822	6.6
222.08910	1.3
223.07536	18.9
225.09186	1.1
232.07602	2.1
233.05991	11.2
233.08191	1.0
234.06790	2.7
235.07533	1.4
237.09114	6.6
239.06970	2.3
239.09193	1.1
240.07823	2.3
240.09988	0.8
247.07623	1.3
247.13390	1.0
249.05537	1.1
249.07925	2.3
250.06250	18.0
250.08676	11.5
251.07036	35.9
252.07686	2.4
253.08607	2.1
260.07053	0.8
261.05481	3.0
262.06183	1.0
262.08652	0.9
263.07126	1.8
265.08594	21.2
265.14343	4.7
266.08188	1.5
267.06467	1.9
267.08981	2.2
268.07275	3.6
268.09781	1.7
269.08130	0.8
270.08957	0.9
271.09598	1.4
278.05692	22.7
278.08221	14.6
279.06473	8.4
279.09012	3.3
280.07285	2.3
281.07950	1.1
282.09021	0.9
283.09653	18.8
285.09958	1.9
292.09625	1.3
293.08078	52.7
294.08127	1.9
295.08386	8.5
296.06686	3.4
299.09131	15.1
300.12299	7.2
310.10736	33.3
311.09122	58.4
328.11795	100.0
367.74628	0.8
435.93942	0.7
445.10617	0.8
462.13879	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.9
55.01877	15.8
55.05515	23.9
56.05030	2.9
56.96582	2.5
57.03433	13.0
57.07080	4.2
59.04988	3.1
59.23359	2.0
61.02924	7.8
67.05505	11.9
68.99786	4.1
69.03430	65.8
69.07067	48.9
70.06570	1.8
71.01346	2.5
71.04992	16.1
71.56621	3.3
73.02915	15.9
74.06069	10.6
77.48470	1.9
79.05495	7.8
81.03418	53.6
81.07054	32.3
83.04968	11.9
83.08632	9.9
84.08099	2.2
85.02905	100.0
85.06538	19.2
87.00832	38.3
87.04466	2.8
91.03937	5.3
91.05467	6.2
93.07036	15.9
94.26317	1.9
95.04979	2.1
95.08613	42.1
97.02898	32.0
97.06538	11.1
97.10151	12.1
98.97585	2.5
99.04443	20.5
99.08089	29.0
105.01873	29.6
105.07031	4.9
107.08615	22.7
108.28572	2.0
109.02886	55.0
109.10143	15.9
111.08112	4.4
111.11726	7.3
113.09641	12.5
115.03953	3.7
117.01852	6.1
119.08583	2.6
121.10146	31.2
123.11696	11.3
125.09651	9.0
127.03919	91.1
127.11304	2.9
129.01862	7.4
132.10219	3.1
133.10173	5.9
135.08058	3.0
135.11691	17.5
137.13252	17.7
139.11171	6.3
145.04956	33.1
145.06013	3.2
147.02832	4.9
149.09561	3.2
149.13275	5.4
151.14813	6.7
153.12743	17.2
157.12170	2.3
159.02895	36.3
159.04128	3.7
159.11699	3.0
163.11185	2.0
177.14819	4.0
177.16386	78.5
189.04022	3.0
193.15976	2.8
195.17455	82.3
210.31831	2.1
211.13303	3.6
213.03841	3.4
213.16412	4.4
213.18491	82.3
231.05011	18.9
233.14978	12.5
237.18584	2.9
417.24716	13.6
461.23053	15.1
461.27612	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	461.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01855	1.3
55.05518	5.8
57.03440	5.2
61.02921	1.3
62.96982	0.9
64.37814	0.8
67.05506	15.5
69.07059	4.1
69.51240	1.8
69.51646	4.6
71.04973	1.6
73.02924	1.5
79.05064	1.8
79.05494	26.5
81.03404	3.7
81.07063	16.8
81.83459	0.9
83.04959	7.2
83.08628	3.8
85.02910	1.6
86.21434	1.0
91.05482	19.3
93.07046	25.3
95.04967	6.1
95.08605	10.2
97.06532	3.0
97.10172	1.0
98.21459	1.7
98.97560	1.0
99.08140	1.0
100.78243	0.9
105.07035	12.3
107.04974	1.5
107.08608	5.3
109.06515	3.1
109.10154	2.3
117.07038	2.0
119.08562	7.7
121.10114	1.8
123.08047	2.2
127.03910	1.2
129.07004	7.1
133.06500	1.5
133.10146	4.6
135.11693	1.6
143.08600	3.2
145.10133	4.8
145.23195	1.1
147.08107	1.4
147.11676	13.2
158.51608	0.8
161.09645	1.2
161.13243	4.2
171.11693	11.9
176.07092	5.5
176.10703	4.6
177.07474	2.2
177.11060	3.7
189.12788	3.3
195.05190	0.9
204.10231	3.6
205.10847	7.9
206.09406	0.9
206.11342	5.3
207.13814	9.9
238.78143	1.0
250.59891	0.9
281.17477	100.0
282.17969	1.7
399.23715	3.1
416.24228	2.1
417.24652	23.1
461.27362	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	461.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
54.63853	1.1
55.01861	1.1
55.05516	7.0
57.03435	2.2
67.05504	17.0
69.07063	3.6
70.95758	2.2
79.05074	1.7
79.05498	29.6
81.03431	2.7
81.07054	16.7
83.04978	4.9
83.08606	1.9
85.02896	1.3
91.05480	24.2
93.06474	2.0
93.07046	32.9
94.56552	1.0
95.04975	6.0
95.08617	7.9
97.02907	1.5
97.06520	1.8
97.10132	1.2
97.71978	1.0
105.07030	14.1
107.04951	1.7
107.08592	6.5
109.06496	1.9
117.07020	4.3
119.08585	9.0
121.06500	1.4
121.10163	2.3
123.08074	2.6
129.07031	6.3
133.10135	2.7
143.08562	3.6
145.10109	4.9
147.11690	17.0
151.07480	1.2
161.09586	2.4
161.13281	5.8
171.11703	12.0
176.07053	3.8
176.10693	3.5
177.07474	2.6
177.11098	1.8
189.12801	5.7
204.10168	1.4
205.10873	4.8
206.11296	5.6
207.13817	15.9
231.77777	1.2
281.17484	100.0
288.15430	1.1
366.59351	1.4
399.23438	1.3
417.24719	13.3
461.27356	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	461.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64889	1.3
53.03940	2.1
55.01878	2.0
55.05511	7.8
55.77902	1.4
57.03425	3.8
61.85570	1.3
67.05512	18.7
69.03426	2.9
69.07052	6.8
69.96810	5.5
70.03773	1.6
79.05499	30.7
81.03405	6.0
81.07055	19.8
83.04985	7.3
83.08608	2.8
85.06593	1.4
91.05480	23.1
93.07046	37.2
95.04987	7.4
95.08614	14.7
97.02915	1.7
97.06518	5.7
97.10175	1.7
98.20840	2.1
105.04545	1.5
105.07050	17.3
107.04964	4.2
107.08591	8.5
109.06531	4.0
109.10161	3.2
117.07044	3.5
119.08585	11.7
121.06532	1.5
121.10162	3.0
122.82246	1.4
123.08099	2.2
127.03934	2.1
129.06992	7.8
131.08609	2.0
133.10132	5.9
139.13353	1.5
143.08557	6.2
145.10150	6.1
147.06773	5.2
147.07939	1.3
147.11687	22.1
148.07195	2.5
161.09685	2.6
161.13277	6.5
164.07072	1.7
171.11703	16.4
176.07079	1.6
176.10735	3.7
177.07767	3.3
177.11078	2.5
178.08189	2.8
189.12776	6.2
207.13788	15.8
281.17487	100.0
282.17633	1.8
373.22107	4.9
387.20801	1.7
388.20737	5.7
399.23569	4.2
416.24387	4.1
417.24667	82.0
443.26141	2.6
461.08862	5.2
461.27338	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	461.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03379	1.3
53.03946	1.6
55.01880	1.2
55.05510	6.4
57.03431	4.3
57.51887	1.0
65.03912	1.5
67.05178	1.5
67.05505	18.8
69.07054	4.1
69.49886	7.9
78.82970	1.0
79.05492	26.6
81.03419	4.4
81.07054	16.7
83.04976	5.3
83.08592	1.5
91.05489	18.1
93.07040	24.8
93.59566	1.1
95.04970	6.2
95.08621	8.5
97.06544	1.8
97.10193	1.7
105.07045	13.5
107.04942	1.5
107.08588	5.8
109.06513	1.5
109.10155	1.7
110.71507	1.2
117.07005	2.6
119.08568	9.5
121.06496	1.3
123.08033	2.4
128.06190	1.2
129.07021	6.4
133.06566	1.1
133.10115	4.3
143.08574	2.6
145.10091	2.9
147.07971	1.2
147.11682	16.2
156.08975	1.1
161.13248	5.0
171.11708	9.6
176.06953	1.8
176.10718	4.0
177.07500	1.5
183.44365	1.0
189.12772	3.5
204.10135	2.7
205.10793	4.4
206.11336	3.8
207.13820	11.2
224.68094	1.1
281.17474	100.0
376.83630	1.1
417.24612	15.0
443.22748	1.5
461.27362	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	461.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.9
55.01877	15.8
55.05515	23.9
56.05030	2.9
56.96582	2.5
57.03433	13.0
57.07080	4.2
59.04988	3.1
59.23359	2.0
61.02924	7.8
67.05505	11.9
68.99786	4.1
69.03430	65.8
69.07067	48.9
70.06570	1.8
71.01346	2.5
71.04992	16.1
71.56621	3.3
73.02915	15.9
74.06069	10.6
77.48470	1.9
79.05495	7.8
81.03418	53.6
81.07054	32.3
83.04968	11.9
83.08632	9.9
84.08099	2.2
85.02905	100.0
85.06538	19.2
87.00832	38.3
87.04466	2.8
91.03937	5.3
91.05467	6.2
93.07036	15.9
94.26317	1.9
95.04979	2.1
95.08613	42.1
97.02898	32.0
97.06538	11.1
97.10151	12.1
98.97585	2.5
99.04443	20.5
99.08089	29.0
105.01873	29.6
105.07031	4.9
107.08615	22.7
108.28572	2.0
109.02886	55.0
109.10143	15.9
111.08112	4.4
111.11726	7.3
113.09641	12.5
115.03953	3.7
117.01852	6.1
119.08583	2.6
121.10146	31.2
123.11696	11.3
125.09651	9.0
127.03919	91.1
127.11304	2.9
129.01862	7.4
132.10219	3.1
133.10173	5.9
135.08058	3.0
135.11691	17.5
137.13252	17.7
139.11171	6.3
145.04956	33.1
145.06013	3.2
147.02832	4.9
149.09561	3.2
149.13275	5.4
151.14813	6.7
153.12743	17.2
157.12170	2.3
159.02895	36.3
159.04128	3.7
159.11699	3.0
163.11185	2.0
177.14819	4.0
177.16386	78.5
189.04022	3.0
193.15976	2.8
195.17455	82.3
210.31831	2.1
211.13303	3.6
213.03841	3.4
213.16412	4.4
213.18491	82.3
231.05011	18.9
233.14978	12.5
237.18584	2.9
417.24716	13.6
461.23053	15.1
461.27612	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	461.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
53.27700	1.3
53.74488	1.7
55.01879	13.2
55.05511	20.1
57.03430	9.2
65.03941	1.4
67.05505	29.8
69.03432	2.6
69.07075	19.5
71.04986	3.3
71.57172	1.9
74.68383	1.5
79.05491	37.9
81.03405	4.4
81.07056	31.3
82.93311	1.4
83.04966	5.4
83.08595	7.1
85.02927	1.3
85.06549	1.7
91.05482	28.7
93.07050	28.3
95.01337	1.4
95.04972	7.8
95.08603	16.1
96.83154	1.5
97.06537	17.8
97.10156	6.7
103.05449	1.7
105.06396	2.1
105.07037	27.2
105.28584	1.4
107.04971	12.5
107.08599	32.6
109.06512	5.0
109.10136	7.3
110.21380	1.3
111.08088	3.0
113.00020	50.1
115.05492	2.4
117.07020	9.4
119.03809	1.2
119.06070	1.2
119.08585	16.8
120.94779	1.3
121.06503	4.6
121.10111	10.5
121.78570	1.3
123.08062	4.3
123.11697	2.7
125.09653	6.6
128.06209	1.5
129.06993	3.8
130.07677	1.8
131.08601	12.2
133.06488	2.1
133.10104	16.1
135.08069	4.5
135.11697	6.6
137.09579	1.3
141.06996	2.6
143.08580	2.1
145.06552	1.7
145.10123	15.8
147.11713	11.9
149.09636	14.8
149.13255	3.8
151.11145	1.9
153.09117	3.0
155.08545	2.2
157.10184	3.8
159.11700	10.0
161.09659	1.8
161.13245	4.2
163.11183	7.8
163.67120	1.4
169.02617	15.2
169.10161	3.1
171.10265	1.6
171.11696	3.3
173.09552	1.5
173.13315	4.4
173.30510	1.2
175.11203	2.1
177.12698	3.2
179.14360	2.5
183.11656	2.7
185.13283	2.7
187.03670	4.4
187.11140	1.8
189.11243	3.9
189.12770	1.5
195.11765	1.5
197.13161	1.9
227.12813	4.7
234.37215	1.3
239.18007	3.8
247.20680	1.9
257.19000	8.2
275.20056	59.8
291.19775	1.9
293.21185	3.4
299.89789	1.5
321.10678	1.7
331.22717	2.2
349.23730	100.0
351.22891	2.1
369.24088	1.8
424.27509	1.6
443.21704	1.7
443.27518	7.8
461.28281	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	461.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37868	1.9
53.03941	3.5
55.01871	15.0
55.05512	22.9
57.03443	10.0
61.02950	2.3
66.93247	1.9
67.05138	2.1
67.05503	39.9
69.03434	4.0
69.07073	19.0
70.20253	7.0
70.20638	3.7
71.05022	2.8
79.05498	48.6
81.03420	8.9
81.07060	38.0
83.04972	7.0
83.08608	9.3
85.02893	2.9
91.05485	38.1
93.07043	36.3
94.74977	1.9
95.04966	11.7
95.08611	21.2
97.06538	24.5
97.10152	7.8
98.21538	1.9
103.05501	2.5
105.07036	32.1
107.04970	19.9
107.08591	31.4
109.06513	5.8
109.10166	13.3
111.08072	4.0
112.99229	3.8
113.00023	78.2
113.12416	2.2
115.05463	2.2
117.07009	13.0
119.08571	23.7
120.08982	2.0
121.06535	4.8
121.10149	16.2
123.08087	4.8
123.11694	2.7
125.09624	7.8
128.06154	2.4
129.06999	5.6
131.08595	17.0
133.10138	25.2
135.08044	7.0
135.11671	4.8
137.09637	3.6
141.07014	3.4
143.08556	3.5
143.99722	2.3
145.10133	18.2
147.08041	2.9
147.11687	16.2
149.09641	13.7
149.13255	5.1
151.11192	3.3
152.85251	1.9
153.07007	2.0
153.09097	2.7
155.05370	1.9
155.08530	5.0
157.10129	7.0
159.11700	10.0
161.09581	3.2
161.13310	5.5
163.11241	7.9
169.02634	36.0
169.10173	4.8
171.11693	5.8
173.13248	8.6
177.12794	4.9
179.14377	2.7
183.11710	3.1
185.13261	3.1
187.03697	8.3
189.11186	4.5
189.12724	3.0
193.12363	2.7
197.13295	3.2
224.74706	2.2
227.12776	10.2
229.19511	5.0
239.17909	3.9
247.20563	2.9
257.19006	8.1
275.20068	73.0
293.21036	2.8
321.10980	2.2
331.22726	4.2
349.23752	100.0
369.23541	4.8
387.25015	3.1
443.21671	3.8
443.27289	14.5
461.28857	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	461.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20672	0.4
61.02933	0.8
67.05502	0.8
69.03425	0.7
70.06567	1.3
71.56504	0.8
71.80943	0.4
72.08144	1.2
72.60589	0.4
78.29466	0.4
79.05479	0.5
81.03403	0.5
81.07054	0.5
84.08147	1.1
85.02893	1.1
86.09707	2.3
87.05588	0.4
91.05485	1.1
92.64553	0.4
93.07027	0.8
97.02866	0.8
107.08541	0.6
112.07583	0.5
112.26096	0.4
127.03875	0.5
133.42751	0.6
137.05914	0.4
140.07062	0.6
168.50056	0.4
173.12926	0.4
179.86845	0.4
201.03778	1.5
225.11212	0.6
252.47879	0.5
260.09100	0.8
261.14450	0.5
297.22745	0.5
299.05481	1.5
299.14883	0.8
329.15329	1.3
333.07913	20.3
335.09546	1.7
461.19949	100.0
462.20242	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01864	1.2
55.05510	4.5
57.03433	3.0
57.07058	1.1
59.54086	1.0
66.11051	1.0
67.05512	9.2
69.03421	2.9
69.07070	3.0
69.22305	5.2
69.22733	4.7
79.05493	11.2
81.03412	3.8
81.07057	6.3
83.04980	3.6
83.08629	1.5
85.02902	3.9
87.00808	1.5
91.03951	1.5
91.05475	8.0
93.07052	11.0
95.04976	3.3
95.08632	5.5
97.02876	1.6
97.06518	3.5
105.07043	6.7
107.04956	3.4
107.08605	7.3
109.06502	1.6
109.10175	2.4
113.00002	1.4
119.08588	4.0
121.06535	1.2
123.08038	1.7
127.03929	2.9
129.07047	2.0
131.08546	1.3
133.10138	1.4
135.11717	2.0
143.08504	1.9
145.05013	1.2
145.10100	2.5
147.06819	2.4
147.11676	4.7
148.07159	1.8
159.11647	1.4
159.44641	1.1
161.13229	2.5
163.11214	0.9
169.02611	1.3
171.11746	3.1
176.10658	1.6
177.07886	1.6
177.11081	1.3
178.08232	1.4
189.12798	2.5
190.08607	1.0
195.10197	1.9
196.10638	1.5
205.10654	1.5
207.13876	2.0
213.14629	11.7
221.30144	1.0
241.11861	1.2
241.14078	6.8
252.09331	1.9
273.85739	1.0
275.20013	1.6
281.17490	36.3
349.23584	1.6
357.18954	2.6
373.22015	1.3
375.19922	23.6
388.20963	2.2
399.23547	1.4
416.24265	2.4
417.20840	52.2
417.25006	19.4
454.09424	1.1
461.19864	100.0
461.27115	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01857	0.6
55.05508	0.8
56.96567	0.3
57.03437	0.6
59.04988	0.4
61.02922	0.4
63.04940	0.3
66.69432	0.3
67.01611	0.6
67.05495	1.7
69.03416	0.8
69.07063	1.1
70.14943	1.2
77.46779	0.3
79.05491	2.7
81.03402	1.0
81.07059	1.7
83.04967	0.5
83.08630	0.5
83.48134	0.3
84.84783	0.3
85.02898	1.2
87.00832	0.3
91.05484	1.9
93.07032	1.7
95.04958	0.9
95.08603	1.5
97.02892	0.9
97.06524	1.5
97.10178	0.3
98.97585	0.7
105.07037	1.6
107.04977	0.3
107.08604	1.3
109.02908	0.3
109.06496	0.4
109.10142	0.6
110.03173	0.3
113.00047	0.5
119.08595	1.3
121.10129	0.5
123.08099	0.4
127.03905	1.0
129.07071	0.4
133.10100	0.6
137.06001	0.6
143.08566	0.3
145.04945	0.4
145.10112	0.4
147.06798	1.0
147.11690	1.1
148.07214	0.3
153.08939	0.5
157.10254	0.4
161.13266	0.4
165.09070	0.5
171.11746	0.5
173.55569	0.3
176.10745	0.4
177.07666	0.7
177.11070	0.3
178.08293	0.4
185.04254	0.5
189.09206	0.4
189.88525	0.3
193.23811	0.4
195.10225	0.3
196.10583	0.5
204.10164	0.4
205.10767	0.4
207.13869	0.6
211.12961	0.3
213.14627	8.9
241.11880	0.6
241.14134	6.4
241.16415	0.6
250.09636	0.4
255.15804	0.7
259.43665	0.3
281.17493	4.6
331.12320	1.5
331.62756	0.4
341.19409	0.8
349.23862	1.1
357.18854	2.9
371.24506	0.4
373.21973	0.4
375.19897	22.4
378.97031	0.3
387.20639	0.3
388.20731	0.6
399.23929	0.6
416.24313	1.0
417.20547	36.4
418.21381	0.8
443.26303	0.5
444.27524	0.8
461.20010	100.0
461.27045	10.8
462.20392	2.3
462.28238	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76163	0.5
52.97953	0.4
53.81192	0.4
60.04523	9.9
67.05511	0.5
69.03422	1.7
69.07073	5.3
70.02966	0.6
70.06580	1.5
70.90430	1.2
71.06905	0.4
72.08146	1.1
75.05607	8.1
81.07029	0.6
81.48753	0.4
84.08128	1.2
85.02885	2.7
86.09708	100.0
87.05592	10.0
90.05570	0.8
93.07062	0.5
95.04961	0.5
97.02885	1.1
99.04453	0.7
102.77160	0.4
103.03966	0.6
112.07628	0.6
119.10682	0.9
124.07553	0.5
127.03913	1.0
128.10728	6.6
131.00114	0.5
137.05960	0.8
140.06998	0.6
143.11801	44.8
145.04889	0.9
148.02281	0.5
153.10214	0.5
171.11295	21.9
173.12863	66.9
181.09685	1.0
201.12346	31.4
203.13893	4.4
213.12325	0.8
230.14873	0.6
231.08812	1.2
240.13420	1.4
241.19122	0.6
242.15005	0.6
258.14505	33.7
260.08990	0.6
260.16061	8.9
266.18701	0.5
325.22141	0.8
326.20682	1.0
343.23401	26.4
345.54623	0.6
353.21939	0.9
371.22913	14.7
442.26389	1.6
460.19016	1.0
460.27664	2.4
461.20108	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	461.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01914	0.9
53.03946	0.8
55.01870	1.0
55.05512	2.3
56.96562	8.1
57.03426	0.7
61.02920	1.4
62.60779	0.9
67.05492	3.4
69.03420	2.8
69.07074	5.0
71.04984	1.0
71.08649	0.9
71.56436	0.8
71.56834	0.9
73.02908	1.0
76.53288	0.8
79.05491	2.3
81.03422	3.0
81.07058	3.7
83.08607	1.2
84.96030	3.7
85.02885	3.7
91.05472	2.1
92.32656	0.9
93.07042	2.9
95.04967	2.0
95.08578	5.1
97.02899	2.7
97.06536	3.6
97.10149	0.9
97.96787	1.0
98.97587	29.9
99.04508	0.9
99.46356	0.9
105.07008	1.4
107.08599	2.1
109.02872	1.4
109.06556	1.1
109.10168	2.8
110.97575	9.8
116.98630	6.6
119.08598	1.6
121.10150	3.8
123.11655	1.0
126.97063	0.9
127.03909	2.3
128.98599	7.0
131.08551	1.5
133.10147	1.4
134.99638	1.5
135.11716	1.7
137.05969	1.8
139.07553	1.0
140.98576	2.1
143.00174	2.9
144.98068	2.2
145.10127	0.9
146.99599	1.6
147.06735	1.4
151.07536	1.0
152.98634	1.9
158.99680	6.2
161.01251	1.2
162.99097	0.9
170.99673	5.7
173.01210	1.0
177.00700	3.5
177.07730	1.0
177.16426	2.6
185.01170	0.9
189.00688	3.7
195.17480	1.9
201.00656	1.7
203.09560	0.9
204.10165	0.9
213.08881	1.3
213.14786	0.9
213.18495	2.6
219.01802	8.3
231.01834	1.3
233.15053	1.2
237.02832	10.1
249.02863	2.7
281.17749	0.9
307.20987	1.7
329.12558	4.6
341.12805	2.5
347.13751	14.4
370.14972	1.3
416.24374	2.1
417.24719	15.3
443.32205	1.0
461.17538	100.0
461.27066	12.9
462.17432	1.9
475.72336	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	0.5
55.05467	0.9
55.06960	0.4
57.03395	0.7
67.05427	1.9
67.05760	0.7
69.07007	1.0
69.38998	3.1
69.95198	0.4
79.05410	2.3
81.03339	1.2
81.06976	1.9
83.04889	0.4
83.08570	0.5
91.05387	2.7
93.06947	2.8
95.04878	0.8
95.08536	1.0
97.06544	2.7
98.21450	0.8
98.97483	0.4
105.06940	1.3
107.08488	0.5
111.07907	0.4
113.77828	0.4
117.06952	0.9
119.08475	1.5
120.07987	1.3
121.06410	0.9
121.10042	0.9
129.06900	1.3
130.06435	1.0
131.04889	0.5
131.08475	1.5
132.05624	1.2
133.06352	1.0
133.10049	1.2
134.09557	0.7
137.05991	2.3
143.08496	0.7
147.04338	0.6
147.06702	1.8
147.07826	0.6
148.07587	7.9
148.11244	3.3
149.05908	1.1
149.11894	1.7
151.07462	0.8
152.28044	0.5
157.09979	0.8
158.05963	0.7
159.07951	1.3
160.07455	0.8
160.11118	1.4
161.05907	1.0
161.66344	0.5
162.05429	0.9
163.06184	1.4
163.07487	0.9
164.06990	1.1
171.07961	0.8
171.11522	0.5
172.07387	0.5
173.05930	1.0
174.09074	0.7
175.07472	1.1
176.07086	34.6
176.10709	50.9
177.07874	2.9
177.09183	0.8
177.11501	6.4
182.93037	0.5
185.09586	0.6
186.05527	0.4
188.08289	0.8
188.10646	1.5
189.09068	1.1
190.08624	4.1
191.09395	1.0
199.07622	0.7
202.12227	1.1
204.10211	30.2
205.10988	50.8
206.11740	3.8
233.11612	1.0
249.13594	2.6
272.16534	0.6
281.17477	2.6
290.17401	0.8
302.17441	2.0
313.84732	0.5
318.16821	0.6
319.17770	2.0
363.20523	0.6
370.23758	2.0
380.22153	1.1
387.20340	1.5
398.23242	10.9
416.24319	97.8
417.24628	1.4
442.26190	2.9
460.26968	100.0
461.27402	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	460.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85816	0.5
55.01865	3.3
55.05511	0.7
55.26385	0.5
55.81779	0.5
56.96571	0.8
57.03444	8.5
59.05003	52.1
61.02930	5.0
69.03433	11.7
70.06594	1.7
70.51283	1.1
70.51641	1.0
71.01359	1.0
71.04985	0.5
72.08163	1.4
73.02504	0.8
73.02921	22.3
73.06557	70.2
79.05493	0.8
81.03422	2.2
84.04531	0.6
84.08137	0.8
85.02908	28.3
86.09703	3.8
87.04475	2.2
91.03965	1.2
95.04977	1.2
97.02895	21.5
97.06536	0.5
98.97592	1.7
99.04459	1.4
103.03941	0.9
103.05412	0.6
109.02874	2.6
111.08089	0.5
115.03937	9.7
116.98610	0.7
117.09145	14.6
120.04512	0.7
127.03922	7.7
131.04956	0.6
131.10692	8.8
133.04964	8.0
145.04974	9.4
149.11739	100.0
150.00247	0.5
153.05428	0.9
163.06064	2.7
193.04974	0.6
219.01781	0.6
223.06006	2.3
241.07034	1.8
257.06702	0.6
259.08231	2.5
269.07959	1.5
295.10110	1.1
298.10791	1.5
299.05405	0.6
327.20355	0.6
332.09946	0.7
435.11954	0.6
460.09698	0.6
460.18069	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.5
55.01871	9.3
55.05512	2.1
56.96572	0.8
57.03443	5.1
60.04517	2.0
61.02919	5.4
67.05500	2.5
68.99790	4.3
69.03429	29.5
69.07054	2.4
69.35729	7.4
70.06593	0.9
71.04997	4.6
73.02909	7.1
73.86649	0.7
79.05497	3.2
80.05018	1.0
81.03418	30.3
81.07056	4.0
83.08626	1.4
84.04488	1.4
85.02906	75.5
85.06505	0.8
87.00827	28.0
87.04441	1.1
91.03957	2.1
91.05487	4.2
93.07072	1.6
95.04977	2.4
95.08610	3.0
97.02288	2.0
97.02895	29.8
97.06519	6.7
97.10144	0.9
98.06039	1.8
98.20757	1.7
98.39181	0.8
98.77633	0.9
99.04454	13.1
103.05495	5.5
105.01868	24.8
105.07023	2.3
107.04949	7.7
107.08602	0.9
107.67359	0.8
108.04485	8.8
109.02879	32.4
109.10153	1.4
111.04490	1.7
111.08092	0.9
115.03921	1.1
117.01849	3.7
117.07009	1.1
118.06557	1.4
119.07347	1.3
121.06519	1.2
121.10155	1.1
126.05525	5.3
126.75453	0.9
127.03921	60.5
129.01865	3.9
129.07048	1.4
131.04959	1.8
131.08563	2.0
134.06158	1.1
135.04439	0.9
135.08037	5.9
135.11656	1.2
136.06216	1.4
137.05994	2.9
139.03915	3.6
143.08490	0.9
143.10757	0.9
145.04959	26.9
145.06288	1.4
145.06583	1.5
146.06027	2.0
147.02914	3.9
147.06807	8.9
148.05153	1.0
154.06253	29.2
159.02895	15.2
161.06018	1.1
162.05432	0.9
163.07549	26.1
164.07085	1.7
175.07530	1.0
176.07060	2.8
176.10629	4.3
177.07828	4.8
180.07861	1.8
188.10683	1.7
189.09224	1.1
193.08578	0.9
193.12279	1.3
195.10172	100.0
200.12845	8.3
202.12315	2.4
204.10233	4.8
205.11046	1.6
206.11748	2.2
212.05626	1.4
213.04008	3.6
219.10204	1.0
230.06613	3.6
231.04984	12.2
248.07681	6.6
249.06248	1.6
266.08636	2.9
273.13611	1.9
285.11154	1.4
286.23843	1.0
290.92786	1.0
298.17307	1.0
298.20139	4.9
302.17432	1.6
303.12311	1.0
306.20816	1.1
352.97784	0.9
362.18198	2.4
370.19931	1.2
372.21912	4.3
374.19711	1.1
387.20395	6.1
388.21194	2.0
398.23157	4.7
416.24298	77.7
442.25873	3.4
460.26971	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	459.2741
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
53.03803	1.0
53.04066	1.0
53.30422	0.4
55.01714	0.8
55.01996	1.6
55.05336	3.1
55.05642	5.5
57.03265	1.4
57.03566	2.7
57.06939	0.5
57.07177	0.5
58.97039	0.4
65.03773	0.5
65.04055	0.8
67.05252	3.4
67.05653	9.2
69.03176	1.1
69.03580	2.4
69.06802	1.9
69.07222	5.2
69.86457	0.8
69.86801	2.3
71.01479	0.6
71.04765	0.7
71.05108	1.0
79.05148	2.5
79.05666	8.3
81.03057	3.2
81.03596	11.5
81.06696	2.2
81.07227	8.7
83.05163	2.2
83.08798	2.3
85.02575	0.5
85.03033	1.0
85.06675	0.9
87.04603	0.6
91.05023	2.2
91.05668	10.5
93.06584	1.4
93.07235	7.1
94.18070	0.4
95.01456	0.8
95.04493	1.6
95.05162	7.9
95.08144	1.4
95.08795	6.2
97.03030	0.8
97.06729	2.1
97.09823	0.6
97.10365	1.4
98.20840	0.9
98.21382	1.1
98.97773	0.7
99.04595	0.7
103.05603	1.1
105.06479	1.4
105.07235	9.8
107.04389	1.0
107.05155	3.5
107.07987	1.2
107.08798	5.5
109.03092	2.1
109.06680	1.0
109.10359	2.9
111.04649	2.8
111.08216	0.8
113.00193	1.0
115.05679	3.0
117.05773	0.5
117.06345	1.1
117.07235	7.9
119.05132	1.0
119.07877	0.9
119.08797	6.4
119.21309	0.5
121.06712	1.5
121.10369	3.0
123.04642	1.8
123.08221	1.0
123.11878	0.7
125.09791	1.2
127.04077	0.8
128.06468	5.2
129.05670	1.1
129.06177	1.3
129.07242	10.7
130.07994	1.4
131.04253	0.5
131.05067	0.9
131.07738	1.4
131.08803	10.1
133.06728	2.0
133.10376	4.5
135.08247	1.4
135.11955	1.5
137.06168	0.7
137.09779	0.7
141.06062	0.9
141.07237	9.2
142.08020	3.5
143.07541	1.2
143.08803	12.0
144.09508	1.2
145.06741	4.1
145.10373	6.5
147.08293	2.1
147.11929	2.5
149.06175	1.1
149.09830	1.2
152.06377	1.2
153.07236	5.2
154.08028	5.1
155.06187	0.7
155.07422	1.5
155.08807	16.6
156.09587	2.2
157.06747	4.8
157.10385	10.4
158.07449	1.2
159.08321	4.0
159.11946	3.8
161.05051	0.7
161.06259	1.8
161.09877	1.6
161.13431	1.2
163.11362	0.7
165.07278	5.6
166.08028	3.1
167.08824	11.0
168.09615	3.6
169.06522	2.7
169.10399	13.5
170.07442	1.1
171.08072	6.5
171.11955	7.7
172.08983	1.2
173.06197	0.8
173.09906	2.6
173.13557	2.2
175.06473	0.6
175.07811	2.1
175.11455	0.5
175.15234	0.5
178.07806	2.3
179.08832	5.7
180.09602	2.1
181.06795	3.0
181.08698	0.8
181.10385	12.1
182.07249	2.7
182.11140	1.9
183.08340	7.1
183.11696	10.8
184.07539	0.9
184.09125	1.5
184.12552	0.5
185.09615	5.5
185.13261	4.1
187.07578	2.8
187.11459	2.6
187.14999	0.6
189.09262	0.8
191.08829	2.1
192.09621	1.6
192.86391	0.5
193.10147	4.5
194.07491	0.9
194.11159	1.1
195.08075	7.1
195.10040	0.5
195.11676	8.6
196.08878	3.6
197.09630	9.5
197.11626	1.1
197.13266	7.3
198.10612	1.4
199.07692	1.2
199.11188	4.5
199.15062	1.7
201.09366	2.1
201.12973	1.5
205.10414	2.2
206.11110	1.2
207.08202	0.7
207.11749	4.9
208.08931	1.0
208.12668	0.6
209.09630	8.0
209.13211	5.4
210.10374	2.9
211.11191	7.6
211.15108	3.5
212.12109	0.8
213.09479	1.8
213.12836	2.7
213.16679	1.1
215.10950	1.7
215.14581	1.2
219.11697	2.6
220.12665	0.6
221.09882	1.2
221.13260	3.4
223.11211	5.3
223.14758	2.9
224.12257	1.5
225.12756	6.1
225.16524	1.1
227.10970	2.1
227.14598	1.7
229.12540	1.6
229.16020	0.7
231.11894	1.0
233.13475	1.6
235.11404	1.5
235.15115	1.8
237.12723	4.5
237.16641	1.3
238.13812	1.4
239.14288	3.4
239.18147	0.7
241.12514	2.1
241.19753	0.7
243.13976	1.0
247.15070	1.0
249.12917	0.9
249.16566	0.8
251.14603	2.2
253.16217	1.5
255.14072	1.6
255.17569	0.6
257.19202	1.0
259.20935	0.7
263.14624	0.7
265.16086	1.4
267.17618	1.1
269.15332	1.0
269.19263	1.0
273.18781	1.6
277.19626	0.5
279.14044	0.7
279.17508	1.0
279.21072	0.7
285.18823	0.8
289.19669	0.7
293.19058	1.0
295.20752	1.2
297.22339	0.9
303.21249	0.7
307.17572	0.8
307.20514	2.9
309.18863	0.5
309.22433	0.9
311.20197	0.7
311.23721	0.6
313.21765	0.7
321.22079	4.8
323.20255	0.7
325.18054	1.2
325.21786	3.0
327.23126	0.8
331.20358	2.3
337.21835	2.2
339.23187	7.0
347.22308	1.8
349.21573	18.6
355.22818	0.9
357.24393	1.0
367.22668	30.4
385.23749	8.5
395.25735	0.6
399.25415	1.3
403.24911	1.1
413.26935	2.1
423.25409	5.2
429.26328	7.2
441.26361	100.0
442.26416	2.6
459.27402	63.7
460.27646	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.274
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
52.09656	1.0
53.03928	3.5
55.01857	4.3
55.05516	11.8
57.03434	5.6
57.07082	1.4
65.03921	2.1
65.21036	1.2
67.05510	23.3
69.03440	5.7
69.07075	11.2
71.04976	3.9
71.56920	1.8
79.05492	17.8
81.02984	1.6
81.03418	21.8
81.07055	17.6
83.04965	5.7
83.08609	4.9
85.02922	2.0
85.06518	1.7
91.05485	22.0
93.07050	14.8
95.01307	2.7
95.04964	12.5
95.08614	13.6
97.02889	2.2
97.06536	6.2
97.10151	2.1
99.08093	1.8
103.05464	1.8
105.04542	1.5
105.07029	15.2
107.04951	5.2
107.08582	7.3
109.02873	2.4
109.06524	2.7
109.10175	6.5
111.04421	3.1
113.00012	1.4
115.05446	5.5
116.06198	1.5
117.07024	12.5
119.04959	1.4
119.08595	8.8
121.06499	2.4
121.10138	5.5
123.04417	2.2
123.08088	2.2
127.03921	1.5
128.06224	8.2
129.07014	20.6
131.04907	2.0
131.08577	13.1
133.06471	3.1
133.10129	6.9
135.04414	1.0
135.08046	2.3
135.11673	2.5
137.05957	2.0
137.09671	1.2
141.05991	1.3
141.07008	14.9
142.07820	6.1
143.08554	16.4
144.05609	1.2
145.06474	7.0
145.10141	12.7
147.08035	2.4
147.11681	3.4
149.05991	1.8
149.09659	1.9
149.13306	1.7
151.07535	1.5
152.06239	1.7
153.06966	7.7
154.07796	6.4
155.08554	24.5
156.09332	2.8
157.06497	6.1
157.10130	14.2
159.08066	7.0
159.11674	5.8
161.05988	5.1
161.09625	1.6
161.13248	1.9
163.11195	1.8
163.72466	1.3
165.06998	9.0
166.07816	5.5
167.08585	17.5
168.09303	4.8
169.06476	3.4
169.10135	22.9
170.07234	2.0
171.08084	6.7
171.11702	12.0
173.09637	4.4
173.13235	5.1
175.07547	4.9
175.11076	2.7
178.07751	2.7
179.08519	8.2
180.09331	3.6
181.06508	6.3
181.10127	15.9
181.55576	1.2
182.07248	3.4
182.10892	3.2
183.08110	10.4
183.11670	14.9
184.07339	1.3
184.08838	1.2
185.09631	8.8
185.13237	6.5
187.07588	2.7
187.11174	3.2
187.14789	2.7
191.08606	2.9
192.09325	3.1
193.10106	6.5
193.12000	2.3
195.08099	11.2
195.11723	13.4
196.08850	3.8
196.12341	2.7
197.09610	10.2
197.13284	9.3
198.10457	1.4
199.07538	1.8
199.11224	7.7
199.12785	1.5
199.14832	3.4
201.09102	3.4
201.12717	3.3
204.09439	1.8
205.10149	4.6
207.07988	1.7
207.11719	6.5
208.08846	2.0
209.09657	9.1
209.13219	8.3
210.10428	4.0
211.11212	9.0
211.14799	2.7
213.09163	3.0
213.12776	4.1
215.10774	2.1
217.09975	1.6
219.11693	3.9
221.13365	5.6
221.15433	1.1
222.10374	1.5
223.11185	7.4
223.14813	3.3
224.11868	1.2
225.12766	7.2
225.16313	1.9
227.10619	3.2
227.14310	3.0
229.12236	2.2
231.11607	1.3
235.14839	2.8
237.12634	6.1
237.16365	1.9
239.14287	4.2
241.12152	3.0
243.13892	1.8
244.09546	1.7
251.14249	4.8
251.17937	1.3
253.15912	2.1
255.13773	2.5
265.15778	2.5
267.13531	1.6
269.15509	3.2
279.17709	1.3
279.21027	2.3
283.17126	1.7
283.20352	1.7
284.23376	1.2
293.18982	1.4
293.22583	1.8
295.20538	1.6
303.20956	2.0
307.20584	3.3
321.22107	7.3
323.19830	2.0
325.21539	2.6
331.20526	4.6
337.21487	3.3
339.23135	8.6
347.22269	1.8
349.21542	23.8
367.22696	37.0
375.25446	1.3
385.23804	7.8
413.26816	2.5
415.24677	1.3
423.25748	5.6
423.31195	1.3
429.26309	11.9
441.26395	100.0
441.32721	4.2
442.26517	2.6
459.27408	87.2
460.27423	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	459.2739
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
53.03939	2.2
55.01880	4.4
55.05512	10.0
57.03444	6.2
65.03926	1.6
67.05506	15.4
69.03431	4.7
69.07065	8.8
71.04979	2.4
71.57074	1.4
73.02914	0.8
75.04475	1.0
79.05499	12.8
81.03419	15.6
81.07055	15.8
82.63844	0.7
83.04996	4.1
83.08632	4.1
84.08139	0.8
85.02905	3.0
85.06531	1.4
86.09714	1.1
91.05485	13.0
93.07047	10.4
95.01304	1.4
95.04972	11.8
95.08607	9.4
97.02900	2.8
97.06512	4.1
97.10161	2.8
103.05459	1.8
105.07034	15.3
107.04964	3.2
107.08577	6.0
109.02866	2.7
109.06486	2.5
109.10152	3.8
111.04434	2.6
111.08123	1.4
115.05454	3.7
116.06242	1.4
117.02406	1.0
117.07024	10.7
119.04926	1.3
119.08583	10.4
121.06496	2.1
121.10135	4.1
123.04409	2.2
123.08087	1.4
125.02332	0.8
125.09637	1.1
126.47870	0.8
127.03944	1.8
128.06219	6.5
129.07008	14.7
131.04907	1.7
131.08568	11.1
133.06503	3.0
133.10147	6.0
135.08080	1.1
135.11714	2.5
137.06000	1.8
137.09584	1.4
141.06993	12.0
142.07758	5.3
143.08559	16.1
143.09668	0.8
145.06491	5.5
145.10130	10.7
147.08046	2.7
147.11688	2.4
149.06015	1.2
149.09642	1.3
152.06158	1.5
153.06985	5.7
154.07745	4.8
155.08559	19.5
156.09357	2.0
157.06509	5.9
157.10118	12.8
158.07300	1.6
159.08046	6.3
159.11707	7.4
161.06024	1.5
161.09576	2.4
161.13268	1.7
163.07611	1.5
163.11176	1.1
165.06944	6.3
165.09103	2.0
166.07806	3.9
167.07233	1.6
167.08568	15.2
168.09326	4.4
169.06464	2.8
169.10123	17.1
170.07298	1.6
170.10913	1.8
171.08047	7.7
171.11662	7.8
173.06053	0.9
173.09634	3.2
173.13266	2.9
175.07578	1.9
175.11275	1.1
175.14851	1.3
178.07855	2.5
179.08565	7.3
180.09317	2.2
181.06506	3.0
181.10115	14.2
182.07353	1.5
182.10883	1.8
183.08073	7.7
183.11681	13.1
184.07349	1.1
184.08864	0.9
185.09605	6.2
185.13260	4.5
187.07590	2.7
187.11212	2.3
187.14864	2.3
189.09122	1.0
189.12793	1.0
191.08560	2.2
192.09230	1.3
193.10143	6.2
193.11983	1.3
194.10866	1.3
195.08075	9.1
195.09995	1.7
195.11684	9.0
196.08890	4.4
197.09628	7.5
197.11249	1.0
197.11565	0.9
197.13274	8.8
199.07535	1.7
199.11194	5.1
199.14818	2.2
201.09119	2.7
201.12753	1.5
202.09846	0.8
205.10158	3.0
206.11691	1.1
207.08015	1.0
207.11740	7.5
208.08902	1.0
209.09663	6.5
209.13239	6.2
210.10352	2.7
211.11197	9.1
211.14842	4.8
213.09189	3.2
213.12747	3.4
213.16499	1.7
215.10760	1.8
215.14279	0.8
217.12202	0.9
218.10873	1.4
219.11728	2.3
221.13263	4.4
223.11235	6.7
223.14790	4.3
224.11981	2.4
225.12772	6.9
225.16270	1.0
227.10619	2.2
227.14331	2.3
229.12263	1.4
231.11699	1.1
233.13252	2.3
235.14873	2.2
237.12782	5.2
237.16403	1.7
239.10829	1.0
239.14307	3.1
241.12222	2.6
243.13925	1.4
247.14919	1.7
251.14273	3.1
253.15936	1.7
255.13976	1.4
257.15533	1.2
257.19095	1.4
265.15808	1.8
269.15411	1.9
279.17117	1.1
283.16916	1.6
288.18674	0.9
293.22534	1.1
294.48166	0.9
295.20639	1.0
297.18719	0.9
297.22275	1.1
303.21069	1.3
307.20605	3.0
309.22147	1.9
319.20517	1.6
321.22214	5.3
323.19998	2.3
323.23477	1.0
325.21539	3.8
331.20630	2.9
337.21539	2.6
339.23199	7.0
349.21597	20.4
351.23254	1.5
357.24155	1.0
367.22678	29.7
385.23737	9.9
399.25241	2.3
413.26855	2.4
423.25339	6.2
429.26227	6.3
441.26389	100.0
442.26660	1.7
459.27457	67.4
460.28195	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
67.05494	2.6
69.03433	0.7
69.07074	1.0
70.57914	0.5
74.09731	0.7
79.05499	1.6
81.03400	0.6
81.07050	1.8
85.02924	0.6
86.09702	1.8
91.05463	1.3
93.07047	2.2
95.04986	1.3
95.08597	1.8
97.06537	2.6
105.07028	1.9
107.08606	1.2
109.10176	0.8
119.08580	2.5
120.08930	0.6
121.10193	1.4
123.11776	0.6
125.00044	0.7
131.08556	1.2
133.10136	1.5
135.11717	1.1
139.03513	0.5
147.11682	0.6
147.79723	0.6
157.10170	0.7
159.11623	0.8
161.13336	0.7
184.07397	1.6
186.14920	0.7
213.10004	0.7
296.05426	0.6
326.98584	0.6
406.15582	0.5
423.32513	0.7
441.25122	3.1
441.33759	1.1
459.27191	100.0
460.27655	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2742
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
53.03950	1.9
55.01882	3.7
55.05512	10.9
56.96568	0.8
57.03439	5.6
57.07075	0.9
67.05507	14.9
69.03442	4.5
69.07069	7.7
70.58595	0.7
71.04990	1.8
75.04454	1.2
79.05499	15.3
81.03425	17.0
81.07058	17.1
83.04983	3.8
83.08610	4.0
85.02906	1.8
85.06541	1.6
88.01891	0.7
91.05482	18.3
91.06016	1.5
93.07055	11.1
95.01353	0.9
95.04979	11.4
95.08608	9.9
97.02901	1.9
97.06535	3.4
97.10152	1.6
98.20696	1.4
98.97595	1.6
99.04451	1.1
103.05447	2.3
105.07030	13.9
105.79903	0.7
107.04966	4.6
107.08599	6.5
109.02885	2.2
109.06521	2.8
109.10166	3.2
111.04440	3.9
112.99348	1.1
113.00013	5.7
115.05449	3.7
117.07027	10.1
119.04964	1.8
119.08589	8.1
121.06493	2.9
121.10163	3.1
123.04444	0.9
123.08076	2.3
123.11754	0.9
128.06223	5.7
129.07008	13.8
130.07741	1.0
131.04947	2.1
131.08560	12.4
133.06531	4.0
133.10168	5.7
135.08076	2.6
135.11665	1.8
137.05971	1.8
137.09618	1.0
141.07001	13.6
142.07838	5.0
143.08582	14.6
144.05664	0.8
145.06482	4.8
145.10141	9.4
147.08043	2.7
147.11707	2.6
149.05980	0.8
149.09616	2.7
152.06233	1.5
153.06990	7.9
154.07768	6.9
155.08568	21.6
156.09387	2.0
157.06490	4.9
157.10144	11.6
158.07295	1.1
159.08038	4.8
159.11667	4.5
161.05984	2.7
161.09657	1.8
161.13326	1.3
165.06973	9.0
166.07736	4.0
167.08575	16.8
168.09399	5.2
169.02620	1.8
169.06500	4.5
169.10126	18.2
170.07260	1.9
170.10947	1.3
171.08052	8.5
171.11668	8.1
173.09651	3.9
173.13251	1.9
175.07582	3.6
175.11189	1.0
177.09097	1.4
178.07765	3.3
179.08572	7.2
180.09348	3.1
181.06526	4.5
181.10141	13.8
182.07292	3.3
182.10919	2.4
183.08080	10.4
183.09587	0.9
183.09967	0.9
183.11681	15.5
184.08772	1.1
185.06081	0.8
185.09624	6.9
185.13269	4.5
187.07567	2.7
187.11183	2.2
187.14812	1.2
189.09116	1.8
191.08546	2.4
192.09361	3.0
193.10167	6.2
194.07309	2.0
194.10901	2.4
195.08095	9.5
195.11729	9.9
196.08850	2.5
197.09601	10.3
197.13284	8.4
198.10350	1.3
199.07593	1.6
199.11206	4.7
199.14861	2.6
201.09088	2.0
201.12770	1.8
203.14281	0.8
205.10156	3.1
206.10918	1.7
207.08054	1.2
207.11757	4.3
208.08815	1.5
208.12444	1.4
209.09642	9.2
209.13225	8.1
210.10437	3.0
210.14055	0.9
211.11215	10.4
211.14807	3.3
212.11935	1.2
213.09103	2.1
213.12772	3.7
213.16418	0.9
215.10666	1.5
217.10196	1.0
219.11726	2.9
221.13309	3.3
222.13951	1.0
223.11229	7.8
223.14748	4.1
224.11967	2.3
225.12726	8.9
225.16440	1.1
227.10675	2.9
227.14342	2.5
229.12271	1.4
233.13287	2.8
235.11142	1.1
235.14810	1.7
236.11922	1.2
237.12755	7.7
237.16412	2.3
238.13487	1.3
239.14293	4.6
239.17998	2.1
241.12183	2.1
241.15910	1.4
243.14008	1.7
247.14818	1.1
249.12700	1.0
249.16539	1.0
251.14497	3.6
251.17953	1.1
253.12299	1.1
253.15921	1.6
255.13783	1.7
255.17500	1.7
257.15491	1.7
265.15918	2.1
269.15381	2.2
273.18558	2.3
279.17319	1.1
279.20990	0.9
281.18942	1.0
283.17084	0.9
283.20758	1.1
291.19608	1.0
303.21057	1.6
307.20569	4.0
309.21942	1.6
313.21826	1.1
319.20636	1.3
321.22159	6.1
325.21677	1.7
331.20575	2.2
337.21658	2.6
339.23288	6.8
347.22217	4.1
349.17358	1.0
349.21613	21.2
351.23215	1.3
357.23868	1.2
367.22690	29.8
368.22849	1.3
385.23788	5.8
399.25293	2.3
413.27057	1.3
423.25351	4.6
428.25616	0.8
429.26370	10.5
441.26373	100.0
442.26785	2.4
459.27426	65.0
460.27246	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89917	0.8
53.16337	0.9
55.05497	1.4
56.96557	1.6
69.03425	3.4
69.53179	6.2
70.06594	7.9
71.00664	0.8
71.04971	1.0
72.08166	1.3
72.18829	0.8
73.02915	1.2
79.05492	1.2
81.03441	1.2
81.07043	1.4
83.08601	1.1
84.04509	1.1
84.08115	1.2
85.02908	5.6
86.09713	2.4
91.05486	1.3
95.06177	1.0
97.02884	2.3
98.97567	3.6
100.02206	1.5
100.11258	12.1
107.59701	1.1
109.02895	2.2
110.07163	3.0
115.05459	1.3
116.98596	1.9
127.03934	2.1
128.06236	8.6
128.98601	1.4
136.07570	1.0
137.05997	2.2
141.06938	1.2
143.08566	30.1
145.06438	1.5
148.92696	0.9
161.09645	0.9
164.07076	2.1
169.10133	0.9
171.08043	41.1
173.06001	3.2
188.07001	1.4
189.09117	8.0
197.09621	0.9
209.16463	2.1
215.10727	4.1
219.01688	1.9
227.17567	18.8
232.13332	100.0
233.13637	2.3
237.02782	3.1
259.10754	2.0
261.13220	1.9
272.16174	1.0
291.10156	2.4
295.16605	1.1
296.17117	1.9
301.11771	2.1
336.90900	1.0
353.05185	0.9
458.15311	2.0
458.24915	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	459.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71667	1.5
56.96560	10.1
57.03445	1.9
66.97725	1.5
69.03416	3.8
69.48678	6.3
69.49104	6.7
81.03387	2.5
83.84930	1.8
84.96013	2.3
85.02919	8.9
86.06053	2.9
97.02876	5.9
98.97585	50.9
98.98206	3.6
100.00100	3.2
101.00892	4.4
106.52796	1.7
109.02885	2.2
109.68565	1.5
110.97559	13.6
113.00909	2.0
116.98620	18.6
118.01128	5.3
119.01923	9.1
127.02379	2.1
127.03885	2.4
128.98605	12.0
131.01909	6.3
134.99646	3.1
137.05983	32.1
142.01096	6.0
143.00195	3.0
143.01915	15.9
145.01605	2.5
145.03481	6.3
146.99663	5.2
147.04425	6.4
154.93257	2.2
155.01880	8.1
156.02686	5.6
158.99664	17.6
160.02197	4.0
161.01233	4.9
161.02962	15.4
164.06993	2.0
168.02734	4.0
170.99657	4.8
172.02223	2.9
172.94363	6.6
173.02959	8.2
174.03778	2.1
177.00774	12.9
177.03883	3.3
178.01120	3.9
179.01962	2.5
181.03497	5.9
184.02113	4.8
185.03030	2.8
186.03735	3.5
189.00714	7.0
190.95369	1.8
194.04257	3.1
195.05038	15.0
196.02196	11.5
197.02960	5.2
201.00798	4.2
203.02316	2.7
203.04033	7.4
205.03433	2.7
206.04288	2.3
207.05104	2.0
213.06133	2.0
214.95375	3.0
218.04185	4.1
219.01782	15.8
219.05031	32.3
221.05037	13.0
222.03673	8.1
223.04521	5.8
231.01772	2.1
231.05058	6.4
232.96454	6.0
233.06639	2.1
236.05353	4.9
237.02817	25.6
237.06122	23.2
240.04709	2.7
241.03471	2.4
244.04308	100.0
245.04935	3.3
246.03748	5.3
246.91083	1.9
247.04550	6.5
248.05247	3.4
249.06013	6.6
250.97446	2.2
251.07649	3.2
255.03853	3.3
256.96484	3.6
259.04532	5.0
260.05109	2.0
261.03110	4.2
261.06088	15.3
262.05344	10.8
264.04837	16.3
265.05423	2.3
273.02884	2.9
273.05954	2.1
274.97470	13.0
279.03867	19.2
279.07147	19.6
285.06522	2.0
288.04376	1.8
291.04062	3.0
291.07214	7.3
292.98569	8.1
297.05063	4.0
297.08185	3.5
307.06668	15.1
309.08276	8.2
315.07300	2.4
321.08203	22.0
330.93326	4.4
331.06659	2.1
333.08267	4.0
336.06894	4.5
348.06915	67.0
348.62277	1.8
348.94284	1.8
349.07544	5.3
351.09198	2.2
363.09186	31.1
366.07950	7.9
369.04922	4.2
372.94266	2.2
381.10312	88.2
387.05939	2.5
399.06018	10.4
399.11307	98.7
404.96854	2.6
417.06845	4.1
417.12439	5.5
423.11554	2.7
459.07736	3.0
459.13550	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01850	0.8
55.05512	4.8
56.96566	1.8
57.03428	1.3
58.06606	1.9
58.59056	0.6
61.02920	0.8
67.05505	9.0
69.03445	1.8
69.07078	4.1
70.06568	0.7
71.04991	1.3
71.57080	1.2
75.19523	0.7
76.89452	0.7
79.05498	10.5
81.03420	11.1
81.07058	10.8
83.04988	2.4
83.08639	3.7
85.02900	1.1
85.06538	0.9
86.09708	2.0
91.05486	9.8
93.07052	5.8
95.04978	5.7
95.08604	3.6
97.02904	1.2
97.06521	5.6
97.10175	2.5
98.97599	1.1
99.08112	0.9
103.05460	1.4
104.23336	0.7
105.07040	7.4
107.04978	1.6
107.08601	6.8
109.06509	1.2
109.10171	1.9
111.04446	1.1
111.08082	1.6
115.05467	1.4
117.07027	2.8
119.04967	1.2
119.08585	5.3
121.06541	1.9
121.10132	4.3
122.06013	0.9
123.04471	1.2
123.08126	1.4
125.00055	1.1
128.06190	1.0
129.06963	5.3
129.52432	0.8
131.00180	0.8
131.04947	1.9
131.08560	4.6
133.06483	2.0
133.10147	3.3
134.06035	2.7
135.08043	0.8
135.11713	1.5
136.06174	0.7
137.05977	3.9
141.07025	1.8
142.07787	1.1
143.08589	2.2
145.06497	2.2
145.08963	0.8
145.10124	1.7
147.04443	2.0
147.08066	1.2
147.11697	2.9
149.05914	3.5
149.09579	3.4
155.08623	0.8
157.06529	2.5
157.10170	2.7
158.07310	1.0
159.04500	0.8
159.08098	2.9
159.11697	1.0
161.05984	6.7
161.09633	0.7
162.05560	1.1
162.06844	2.1
163.06314	1.3
164.07057	8.0
169.06499	1.0
169.10132	1.3
171.08095	2.6
171.11786	2.2
173.06020	3.0
173.09637	0.9
175.07582	7.9
175.11238	2.3
177.09097	0.8
181.23192	0.7
183.08147	1.5
184.07362	3.0
184.08838	1.2
185.06052	1.1
185.09555	1.1
187.07574	2.6
187.11240	2.1
189.09123	4.6
193.12202	6.6
195.08102	0.9
195.13751	0.8
197.09674	1.3
199.07588	1.4
199.11099	1.6
201.09216	1.3
206.11848	0.8
211.07707	0.8
213.09201	1.0
213.12654	1.4
215.10751	3.8
217.12225	8.3
227.10719	3.1
239.10950	1.0
241.12326	2.1
253.12450	1.3
260.12872	0.9
269.10849	1.0
276.63580	0.7
277.63382	0.9
296.63397	0.8
302.17432	1.0
333.23004	0.8
349.02927	0.7
355.19659	0.9
356.19440	0.8
365.21277	2.0
367.17874	1.0
373.19757	1.0
388.21225	13.8
388.25699	1.3
397.23767	5.2
409.23819	1.8
423.25653	1.2
440.23969	3.5
441.26373	11.9
458.29190	100.0
459.29074	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	457.3678
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
55.05505	4.2
67.05508	7.2
69.07072	7.9
70.75337	2.2
70.75675	2.8
79.05496	6.3
81.07058	17.6
83.08614	4.5
91.05469	5.1
93.07039	18.3
95.08610	51.3
97.10165	2.7
105.07037	11.7
107.08601	30.5
109.09476	1.5
109.10159	21.7
109.15899	1.2
111.08094	1.6
119.08587	19.2
121.10146	25.5
123.11716	7.6
125.05952	1.2
131.08569	1.3
133.10132	12.3
135.11691	18.3
145.10120	3.6
147.11694	12.4
149.13257	15.6
159.11703	5.2
160.34337	1.4
161.13269	9.8
163.14828	29.2
165.99886	1.2
170.47466	1.4
173.13249	3.9
175.14825	8.0
176.15106	1.7
177.16388	9.5
179.14296	2.0
187.14784	5.0
189.16373	16.1
191.17935	15.8
201.16409	5.5
202.00836	1.1
203.17947	22.8
205.16040	1.4
205.19534	6.8
207.17468	3.6
215.17960	1.7
217.19490	5.3
219.17480	1.7
221.18994	2.5
229.19543	2.9
231.21089	10.5
233.18929	2.3
233.22589	2.1
235.16878	2.5
245.22646	1.4
247.16919	1.7
297.25674	8.2
315.26895	3.3
393.35147	6.3
411.36234	100.0
412.36703	2.9
439.35980	7.0
457.36887	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	457.368
Annotation	beta-Boswellic acid
Peak:m/z	Relative Intensity
53.03943	1.7
55.05513	11.1
56.96561	1.5
57.03432	1.6
57.07076	4.7
65.41572	1.0
67.05505	17.7
67.11185	1.2
69.07069	15.8
69.94034	4.8
79.05488	10.5
80.87093	1.0
81.03391	1.5
81.06586	2.6
81.07062	43.9
83.08630	9.8
85.06527	1.2
91.05460	9.1
93.07047	26.5
95.04953	1.5
95.08611	82.6
97.02927	1.2
97.06541	4.6
97.10159	5.5
98.98412	1.2
103.52376	1.2
105.07032	18.4
107.08603	41.5
109.10163	43.8
109.10923	2.2
111.08073	1.8
111.11718	2.3
117.07011	2.7
119.08585	42.1
121.10150	39.9
123.08034	1.8
123.11713	22.5
125.09628	1.9
131.08595	4.6
133.10132	36.1
135.08066	1.3
135.11702	32.2
137.06024	2.0
137.13272	16.9
139.07536	2.3
139.11130	1.6
145.10132	8.2
147.11691	28.7
147.12807	2.0
149.13268	16.8
151.11182	1.5
151.14822	1.5
153.09093	6.8
157.10156	2.5
159.11728	8.2
161.13263	18.1
163.14835	24.6
163.16118	2.1
165.09152	2.0
167.10678	2.9
171.11693	2.7
173.13277	6.7
175.11290	1.3
175.14842	17.4
177.16405	14.1
179.10695	1.4
179.14259	1.9
179.17979	5.3
184.07433	1.5
187.14810	8.9
188.15424	1.3
189.16393	71.5
191.17953	61.9
193.90535	1.1
197.13220	1.1
199.14845	2.1
201.16400	14.5
203.17961	64.7
204.18427	1.4
205.19569	10.1
207.13879	1.6
207.17459	5.6
213.16333	6.8
215.17955	13.9
217.16049	1.9
217.19485	9.8
219.17464	1.8
221.15454	1.9
221.19052	4.8
229.19583	4.0
231.17422	3.3
231.21027	9.7
235.16936	11.4
243.21053	2.2
245.15448	1.6
247.17053	3.3
249.18539	23.4
255.21115	1.5
257.22729	4.4
259.16949	5.3
259.24274	1.6
261.18610	10.9
269.11060	1.2
269.22781	1.9
271.24258	3.7
275.20181	2.0
287.20099	1.6
308.65344	1.3
317.25064	1.4
343.26508	2.8
393.35138	13.3
411.36273	40.4
439.35828	46.9
457.36877	100.0
458.37161	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3677
Annotation	beta-Peltoboykinolic acid
Peak:m/z	Relative Intensity
55.05521	4.7
56.02317	0.8
57.07072	3.5
65.03961	0.9
67.05510	6.9
69.03465	0.8
69.07081	10.5
71.08634	1.4
71.55776	1.2
77.63145	0.9
79.05502	2.8
81.07062	16.5
83.04983	1.1
83.08620	4.3
83.64716	0.9
91.05494	2.2
93.07059	6.9
93.97640	0.9
95.08612	30.6
97.10156	1.1
105.07052	7.4
107.08612	12.2
109.06527	1.3
109.10166	15.4
111.11742	3.2
117.07041	0.8
119.08595	11.3
121.10155	11.9
123.08110	0.9
123.11728	10.8
131.08597	3.9
133.10147	11.6
135.08080	1.5
135.11713	6.8
137.13274	15.6
139.07564	1.6
143.08571	1.3
145.10141	3.7
147.11713	6.4
149.13240	4.1
151.07486	1.5
151.11118	1.0
151.14828	2.2
153.09111	1.8
157.10143	2.9
159.11668	4.9
161.09798	1.3
161.13306	3.5
163.11304	1.3
163.14833	2.2
165.09149	3.7
171.11685	1.9
173.13315	4.4
175.11247	1.8
175.14839	12.1
177.09190	1.2
177.16440	2.9
179.10684	2.6
185.13263	1.6
187.14861	2.8
189.16457	3.1
191.10657	1.5
191.18015	2.6
193.12285	2.4
199.14833	1.9
201.16455	1.4
203.10712	1.4
203.14381	1.9
203.18005	3.2
213.16393	1.5
215.18033	2.1
217.12236	1.1
217.15977	1.3
217.19516	2.7
219.13875	1.9
221.15396	3.2
229.19521	2.1
235.16980	1.7
241.19536	1.1
243.21098	13.4
245.22722	3.1
247.16951	1.0
247.20609	1.9
255.21164	2.9
257.22641	1.4
269.22650	1.9
273.22040	1.2
284.26718	1.5
287.20203	1.4
301.21597	5.6
303.23267	2.5
311.23465	1.0
380.40732	1.1
393.35147	3.0
411.36246	25.4
421.34683	3.1
439.35757	100.0
440.35873	2.9
457.36731	25.6
457.44180	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
53.03942	2.1
55.01854	0.9
55.05504	2.3
56.96558	1.2
61.02914	1.0
67.05511	4.5
69.03443	5.6
69.07057	2.7
69.42054	7.4
70.06588	1.1
72.08163	1.0
73.02902	1.3
76.99684	0.8
79.05495	5.0
81.03405	3.0
81.07069	8.4
83.04968	2.5
83.08594	1.2
85.02898	4.0
86.09694	2.4
87.00836	1.9
89.29893	0.8
91.05470	6.7
93.07042	4.1
95.04954	2.5
95.08591	2.6
97.02879	2.5
97.06508	1.8
98.21445	1.7
98.97582	2.7
103.05466	1.3
105.07038	7.9
107.04940	3.7
107.08598	21.1
109.02885	1.7
109.06512	2.7
109.10168	6.8
111.08142	1.2
115.05496	1.5
116.98608	1.4
117.07034	2.2
119.04942	0.9
119.08550	2.7
121.06469	1.7
121.10155	9.3
122.07304	4.5
123.08057	1.2
127.03906	3.8
131.08577	2.0
133.10136	100.0
135.08052	8.7
135.11722	2.1
137.05986	1.8
137.09621	51.1
143.08495	0.9
145.10098	1.5
146.02599	0.8
147.11661	2.8
149.09569	1.7
149.13264	9.5
163.14838	2.3
173.11905	0.9
173.13263	5.9
177.00691	1.5
191.14316	53.4
192.14751	0.9
209.15375	3.7
219.01720	1.3
237.02922	0.9
269.10703	1.0
293.10507	1.1
323.21249	0.9
371.13623	1.3
376.03986	0.9
389.14645	1.3
408.72839	0.9
457.14633	2.6
457.19931	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	457.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45704	0.6
54.91455	0.5
55.05498	0.7
57.03421	0.7
57.07067	0.8
59.05038	0.6
67.05486	1.9
69.03423	0.8
69.07057	4.4
69.77328	0.6
70.68156	1.6
71.08618	0.8
75.66705	0.7
79.05482	1.6
81.07054	6.5
83.08616	1.2
91.05444	0.9
92.10571	0.6
93.07028	3.4
95.04942	1.5
95.08608	9.7
97.06523	0.8
105.07047	3.3
107.08569	4.8
109.06513	2.1
109.10156	5.3
111.11716	1.1
116.89622	0.6
117.07035	0.9
119.08600	6.0
121.06496	0.7
121.10140	6.5
123.08087	1.6
123.11706	4.5
125.09607	1.4
131.08551	2.0
133.10112	3.5
135.08092	1.3
135.11678	3.3
137.09599	1.7
137.13258	10.2
140.86050	0.8
143.08528	1.4
145.10109	2.8
147.08070	1.0
147.11703	4.7
149.09604	0.9
149.13252	2.2
151.11139	1.3
157.10136	1.5
159.11696	2.1
161.09619	2.8
161.13237	2.2
163.11211	2.7
163.14899	0.7
165.12740	11.3
167.06796	2.5
169.10152	0.7
171.11653	1.7
173.13246	2.0
175.14821	3.2
177.16434	0.8
187.11156	0.9
187.14828	1.9
189.12778	1.1
189.16402	1.6
191.17871	1.3
193.12241	14.6
193.15837	1.8
197.13289	1.0
199.11183	1.4
200.20175	0.8
201.16397	1.0
203.17949	1.2
205.12251	0.7
213.16397	1.8
215.14365	1.6
215.17923	1.8
219.17375	1.1
225.16251	0.7
227.18025	1.0
229.19647	0.8
231.17413	2.1
233.19107	1.1
243.21062	0.8
245.19099	0.9
284.26453	1.2
299.23712	2.0
301.18140	0.9
313.21414	4.7
337.25327	0.6
337.58932	0.6
351.30524	1.4
367.30029	0.8
369.27432	0.8
369.31580	7.4
370.54254	0.7
393.31470	1.7
411.32544	5.5
421.34750	3.1
439.31436	14.4
441.38828	0.7
457.34137	100.0
458.34302	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	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.9
55.01857	1.0
55.05500	1.6
67.05495	2.6
69.03439	5.6
69.07066	1.3
69.21551	3.1
69.21954	5.4
79.05486	3.8
81.03402	1.2
81.07061	4.5
85.02903	2.0
91.05472	3.2
91.87839	0.9
93.07050	2.2
95.08605	1.6
97.02864	1.1
97.56061	0.8
105.07026	6.9
107.04934	2.6
107.08606	16.5
109.02871	1.2
109.06504	3.4
109.10150	4.0
115.05458	0.9
117.07034	2.2
119.08607	2.1
121.06512	1.1
121.10143	10.1
122.07285	4.1
127.03927	2.1
131.08559	2.1
131.37372	0.9
133.10136	100.0
133.17706	0.9
135.08031	6.6
137.09624	49.5
145.04936	1.7
145.10100	1.2
147.11684	1.2
149.09654	1.5
149.13251	9.4
151.11237	1.2
163.14833	1.4
173.13242	6.3
191.14314	55.9
209.15381	7.3
217.89264	0.9
416.11414	0.9
481.70370	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10192	0.4
51.79942	0.4
53.03939	1.2
55.01870	2.6
55.05501	1.0
57.03423	0.9
61.02917	0.5
62.59853	0.4
65.73148	0.6
67.05495	1.1
68.78446	0.4
69.03438	3.2
69.07071	12.8
69.40358	3.1
76.84241	0.4
79.05476	1.3
81.03416	3.1
81.07049	1.9
83.04992	0.9
83.08575	0.5
85.02888	2.8
87.00816	1.9
91.05078	0.4
91.05492	4.5
93.06484	0.6
93.07049	10.8
95.04962	1.0
95.08599	2.1
97.02880	1.4
97.06516	1.0
98.97620	0.5
99.04442	1.0
102.68605	0.5
105.07024	2.4
107.08598	8.5
109.02856	1.7
109.06509	0.6
109.10141	1.0
111.08022	0.4
117.06989	1.1
119.08601	2.8
121.05669	0.7
121.06512	12.5
121.10142	6.9
123.08051	1.2
123.11685	0.4
127.03914	2.2
129.07013	0.5
131.08607	3.0
133.10143	5.1
135.08057	4.5
135.11723	2.3
137.09616	1.1
145.04964	0.8
145.10098	2.0
147.11690	28.4
149.09624	3.7
149.13240	5.3
151.94678	0.5
158.10913	1.6
159.02927	0.9
161.09654	4.3
163.11156	0.8
163.14786	1.2
173.13261	8.1
176.11984	0.9
191.14308	100.0
192.14716	0.6
209.15381	1.4
457.23874	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.9
56.96576	4.9
67.05500	6.6
69.03433	15.5
69.07060	8.1
70.81506	3.5
70.81844	2.3
70.96597	2.0
71.04971	5.3
74.26602	1.9
79.05491	7.3
81.03421	8.7
81.07046	12.5
83.04980	8.1
83.08617	3.7
85.02901	15.1
86.73638	2.0
87.00848	3.9
91.05487	7.8
93.07042	8.2
93.54179	2.4
95.04975	5.6
95.08615	19.2
97.02915	6.1
97.06557	5.4
98.97596	6.5
99.04481	2.5
99.08081	4.7
105.01871	3.3
105.07022	12.7
107.08597	38.9
109.02883	4.2
109.06525	23.3
109.10153	18.3
110.97597	2.1
113.13074	1.9
116.98663	2.2
117.06987	2.8
119.08615	6.1
121.06483	5.7
121.10134	32.6
122.60899	2.4
123.08041	5.7
125.09594	10.9
127.03918	5.5
128.98683	2.3
131.08595	5.7
133.10133	62.5
135.08049	21.6
135.11688	6.1
137.06035	2.5
137.09627	35.7
139.11197	3.1
145.05025	2.3
147.11670	9.7
149.09642	9.6
149.13235	15.7
151.09973	3.1
151.11185	61.0
153.09114	3.9
158.10995	2.6
163.14807	11.6
165.12769	4.6
173.13257	16.3
174.83675	2.0
191.14305	100.0
209.15355	76.4
219.01741	3.9
237.02899	2.2
238.38278	2.0
295.15704	3.1
338.01813	2.4
371.13739	9.4
389.15018	5.6
413.14746	2.6
457.14462	6.9
457.21121	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01866	1.1
55.05502	3.9
57.03433	1.6
57.07079	0.9
61.02925	1.6
67.05515	3.9
68.99782	1.1
69.03442	14.3
69.07056	4.7
69.60160	0.8
70.06585	1.4
70.35364	1.7
70.35724	1.5
71.04981	1.7
79.05505	5.6
81.03428	5.5
81.07068	6.7
83.04971	5.7
85.02916	10.9
87.00848	4.7
91.05477	7.4
93.07059	5.5
95.04980	1.8
95.08618	7.7
97.02908	6.7
97.06563	2.0
97.10151	0.8
98.21464	0.9
99.04443	1.1
105.01881	5.6
105.07025	7.5
107.04974	3.5
107.08601	25.0
108.68078	0.8
109.02879	4.2
109.06525	3.4
109.10163	8.3
111.08070	2.2
117.06979	1.6
119.08581	3.9
120.35474	0.8
121.06535	3.7
121.10146	16.0
122.07284	4.3
123.08073	1.4
125.09581	1.4
127.03927	10.7
129.01782	1.0
131.08577	3.4
133.10138	100.0
135.08064	7.1
135.11728	1.7
137.09622	49.5
139.11201	1.0
143.08632	0.9
145.05003	4.0
145.10127	1.9
147.11726	4.7
149.09636	2.0
149.13255	10.0
151.11214	9.8
153.09106	2.2
158.10924	2.1
161.09538	1.0
163.14856	4.0
173.13271	6.5
191.14310	74.0
209.15395	11.8
231.05049	2.8
413.17850	1.1
439.19559	1.7
453.55298	0.9
457.16345	1.7
457.24500	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93015	0.9
53.03950	4.6
55.01871	6.8
55.05512	6.8
57.03431	3.8
57.07057	3.4
59.04990	1.3
60.42368	0.8
61.02914	3.5
62.93762	0.9
65.03926	1.2
67.05499	6.5
68.99786	2.2
69.03432	18.5
69.07066	5.9
70.06580	2.9
71.05001	7.2
71.07179	2.1
73.02909	3.7
79.05491	6.8
81.02985	1.4
81.03423	17.8
81.07060	17.9
83.04990	5.9
83.08621	11.2
85.02908	32.6
85.06534	3.7
87.00832	12.6
87.04443	1.4
91.03987	2.1
91.05463	4.6
93.07056	8.6
93.97776	0.9
95.04971	100.0
95.08606	6.5
97.02885	14.8
97.06509	4.7
99.04457	29.1
103.03912	1.2
105.01881	6.1
105.07048	7.2
107.04964	1.5
107.08590	9.9
109.02882	13.7
109.06528	8.9
109.10165	16.5
111.04435	2.6
111.08083	6.9
113.09624	2.2
115.03890	2.0
117.01836	2.3
117.06986	1.7
119.08595	5.0
121.06480	3.4
121.10139	9.3
123.08111	4.8
123.11720	5.0
125.05994	3.1
125.09619	1.8
125.13288	1.4
127.03918	23.6
129.01797	2.6
129.06995	1.3
131.08553	4.3
133.10143	10.8
135.04443	1.3
135.08057	16.6
135.11647	1.3
137.05972	3.5
137.09557	2.4
139.07500	2.0
139.11147	3.6
140.07011	0.9
145.04958	6.3
145.10138	3.6
147.02919	1.6
147.08032	3.0
147.11681	4.0
149.05937	2.8
149.09647	2.2
149.13281	10.5
151.07521	3.8
151.11174	3.9
153.09102	34.3
157.10150	1.2
159.02905	6.8
159.11723	1.2
161.13222	1.5
163.07504	1.7
163.11157	1.9
163.14838	1.5
165.12753	1.9
167.14325	12.8
169.12311	1.3
171.10202	1.8
173.09631	1.7
173.13232	7.0
175.14905	1.6
181.12204	3.0
189.03937	3.4
189.12808	1.9
191.07042	2.1
191.14305	16.6
195.10141	1.7
203.07169	0.9
207.13834	2.9
209.15372	84.3
211.11148	1.0
213.03973	1.5
224.96159	0.9
227.16312	1.5
229.15489	1.2
231.05025	6.3
233.15428	2.3
271.07892	1.1
275.16260	1.9
295.15631	1.4
304.00510	1.3
317.17334	1.3
323.65033	1.0
335.18668	1.5
395.22357	1.4
413.17740	1.2
421.18320	2.3
439.19583	6.0
457.20398	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	456.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97442	0.5
53.03941	1.3
55.01883	2.3
55.05515	1.6
57.03440	1.8
57.07079	14.0
57.74506	0.6
59.05003	100.0
60.47418	0.7
61.02924	1.5
67.05515	0.8
68.99768	0.9
69.03427	7.3
71.05001	1.1
73.02933	2.1
79.05515	0.7
81.03437	5.4
81.07069	0.7
85.02907	17.6
85.06544	1.2
87.00829	6.9
93.07045	0.7
97.02907	7.0
97.06558	1.5
97.10213	1.1
99.04492	2.2
101.09647	0.8
105.01873	5.8
107.08600	0.6
109.02898	5.2
109.10225	0.8
115.11211	26.7
117.07051	0.6
117.09142	1.4
121.10207	1.0
127.03917	10.4
145.04982	3.9
159.02904	3.2
173.15369	5.0
191.16429	67.8
192.16769	0.6
215.07042	0.7
215.17944	0.6
219.49965	0.7
231.05118	1.7
250.28667	0.6
381.12549	0.6
397.90988	0.7
456.27713	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
55.01872	2.0
55.05516	0.9
56.27932	0.5
56.96571	0.9
57.03439	2.3
57.07077	15.3
59.05001	100.0
60.05355	0.5
61.02922	1.2
67.05504	0.9
68.99815	0.7
69.03431	8.3
69.03777	0.9
69.07072	1.6
70.06556	0.5
70.80876	1.3
71.04996	1.2
73.02514	0.4
73.02922	2.1
79.05509	0.5
81.03423	6.6
81.07073	2.1
85.02905	20.5
86.09710	0.5
87.00822	8.0
91.03999	0.9
91.05508	1.0
93.07054	1.0
95.08628	2.1
97.02888	6.1
97.06551	1.6
97.10194	0.7
99.04474	3.0
101.09686	0.8
105.01861	6.8
105.02483	0.6
105.07028	1.1
107.08627	1.1
109.02896	4.6
109.10182	0.8
110.10480	0.7
111.08177	0.6
115.11208	29.4
117.01880	1.0
117.09163	1.7
119.08604	0.8
121.10193	0.8
123.11723	0.5
127.03923	9.1
129.01871	1.0
131.08665	0.6
133.10181	0.7
137.06032	0.6
145.04997	4.1
147.11749	0.7
159.02924	2.6
163.03905	0.5
173.15390	5.5
191.16423	64.5
221.45992	0.6
231.05064	1.6
249.06151	0.6
249.11324	0.7
274.91791	0.5
339.36584	0.5
456.22598	1.2
456.28439	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1481
Annotation	HZ52
Peak:m/z	Relative Intensity
55.01874	0.3
55.05500	0.4
56.96558	0.7
57.03419	0.7
58.08514	0.3
61.02924	0.3
61.11604	0.3
67.05499	1.6
67.09139	0.3
69.03420	1.0
69.07059	1.2
70.06590	2.7
70.18957	0.8
70.19380	0.5
72.08177	0.3
73.02903	0.6
79.05521	0.3
81.03408	0.6
81.07033	0.7
84.04500	0.5
84.08147	0.8
85.02908	2.2
85.06540	0.4
85.48554	0.3
86.09711	1.0
86.23163	0.3
91.05457	0.7
92.36714	0.3
93.07015	0.6
95.04993	0.6
97.02892	1.2
98.97588	1.0
101.00869	0.4
105.07011	0.4
107.08618	0.4
108.05732	0.3
109.02824	0.3
109.10164	1.8
115.03963	0.6
116.07127	0.3
116.98590	0.3
119.01905	0.4
119.07329	1.1
127.03918	0.7
127.11198	0.9
129.10233	0.4
133.04982	0.7
137.05960	0.5
145.03514	0.6
145.04982	0.5
146.33621	0.3
157.03429	0.4
158.99638	0.6
161.02882	0.3
162.05269	0.3
164.07130	1.1
167.70518	0.3
176.04611	1.1
177.00775	0.4
184.07365	0.3
198.06082	0.4
208.07233	0.8
209.15483	0.3
216.07225	1.6
220.13391	0.6
234.08366	0.3
239.08618	0.5
240.07144	1.0
244.83942	0.3
252.10204	0.3
254.08849	1.1
258.08279	1.3
261.60275	0.4
262.14621	0.4
269.12891	0.5
282.08197	1.1
294.17279	0.6
309.24551	0.4
315.13480	1.2
317.08499	0.6
324.07047	0.3
324.10352	1.7
342.10358	4.1
394.22403	0.5
431.63101	0.3
432.67447	0.3
438.12555	0.3
456.14798	100.0
457.15311	1.2
473.53668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3523
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
53.03949	0.9
55.05513	3.9
56.96556	1.3
57.03423	0.7
57.07073	1.2
57.26233	0.7
67.05504	7.0
69.07075	8.1
71.56606	0.8
79.05491	8.1
81.07060	11.6
83.04980	1.4
83.08624	4.2
91.05486	5.2
93.07049	12.3
95.08611	25.8
97.06504	0.9
97.10167	1.7
98.97560	1.5
101.68536	0.7
105.07035	9.4
107.08595	34.4
109.06509	0.7
109.10159	13.6
111.08083	1.2
115.05438	0.9
117.06979	1.9
119.07798	1.3
119.08585	17.4
119.09443	0.9
121.10147	22.6
123.08073	1.2
123.11704	4.5
125.09609	1.0
131.08582	3.8
133.10133	15.5
135.08057	1.7
135.11696	10.0
137.09592	1.2
137.13315	1.2
143.08502	1.1
145.10135	11.1
147.11687	9.4
149.09608	1.6
149.13293	6.5
151.11143	0.9
153.09070	0.9
157.10094	1.7
159.11714	5.5
161.09622	1.1
161.13260	7.1
163.11172	13.2
163.14835	4.9
171.11687	2.3
172.95236	0.8
173.11848	1.3
173.13153	3.4
175.14825	14.7
177.12808	1.1
177.16383	26.5
179.14256	1.8
183.11652	0.8
184.07248	0.9
187.14836	10.2
189.16385	11.2
191.14342	0.7
191.17947	4.1
199.14854	0.9
201.16382	4.2
203.16032	1.1
203.17943	23.1
205.15878	100.0
205.19498	3.5
207.17442	2.9
211.14748	1.1
213.16435	1.8
215.17932	3.5
217.15840	2.0
217.19418	1.4
219.17450	2.0
221.19080	1.3
228.19600	0.8
229.19539	1.1
231.17400	1.5
235.16940	0.9
243.08986	0.8
249.18538	6.5
261.18481	1.0
282.27905	1.9
283.28268	6.0
285.10181	1.2
285.25516	1.4
295.24106	3.8
313.25195	7.1
391.33661	1.4
409.34686	35.7
409.40164	1.7
419.33075	1.2
425.34073	1.3
437.34384	9.9
455.25702	1.3
455.36084	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	455.352
Annotation	Oleanonic acid
Peak:m/z	Relative Intensity
52.52602	1.4
55.05509	8.9
55.20792	1.6
56.96566	2.2
57.03434	2.4
57.07066	3.8
57.18737	1.4
59.38580	1.3
59.40268	1.3
63.78660	1.4
67.05509	9.6
69.07063	16.9
69.91130	7.1
71.04990	1.5
71.08643	2.1
79.05483	11.8
81.07050	25.8
83.08638	7.6
91.05453	9.3
92.33437	1.5
93.07045	20.9
95.04940	4.1
95.08607	46.4
97.10169	4.2
98.21489	1.9
99.08103	1.4
103.53554	1.3
105.07040	24.1
107.08597	41.2
109.06531	2.6
109.10159	27.5
111.08106	1.7
117.07007	2.2
118.36751	1.5
119.08574	29.6
121.06583	1.8
121.10147	35.1
123.08106	2.0
123.11692	8.9
131.08589	7.1
133.10124	31.0
133.64421	1.4
135.08032	2.3
135.11694	16.0
136.65532	1.6
137.13229	4.1
143.08588	1.7
144.09300	2.0
145.10156	13.7
147.11684	21.5
149.09669	2.3
149.13271	20.2
153.09105	2.0
159.11700	12.9
161.13249	12.7
163.11209	9.8
163.14830	20.5
166.44714	1.5
173.13272	6.4
175.11182	2.4
175.14824	24.1
177.12820	2.3
177.16383	34.0
184.07388	2.0
185.13301	1.7
187.14838	14.0
189.16374	29.7
191.17957	10.8
201.16405	11.7
203.17958	82.2
205.15880	55.3
205.19527	4.9
207.17421	3.6
213.16434	3.7
215.17995	5.5
217.19438	2.4
219.17444	3.8
221.19012	2.9
229.19560	1.7
231.17447	3.3
233.18927	1.6
235.17047	2.5
243.21088	2.4
247.16953	2.0
249.18536	9.9
283.28351	2.3
314.27621	9.5
391.33597	5.8
409.34656	100.0
410.35068	3.4
425.34076	2.0
427.36084	1.8
437.34247	11.1
455.35431	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	455.3522
Annotation	Krukovine A
Peak:m/z	Relative Intensity
55.05515	2.5
57.07079	1.3
59.61964	0.9
62.83103	0.9
66.68054	0.8
67.05510	4.2
69.07072	3.9
75.39968	0.9
79.05095	1.0
79.05495	4.2
81.07059	10.6
82.83222	0.9
83.08608	2.6
85.06553	1.1
91.05506	3.2
93.07045	8.6
95.05003	1.7
95.08612	12.1
97.06542	2.1
97.10200	1.1
98.20771	3.4
99.08092	1.7
100.59348	1.1
104.31245	0.9
105.07026	8.4
107.04980	1.4
107.08598	14.9
109.06545	1.1
109.10153	6.7
111.08065	1.6
119.08583	18.2
119.09370	1.6
121.06500	1.4
121.10136	7.9
121.41307	0.9
123.08084	1.6
123.11720	4.1
125.06012	4.6
125.09657	0.9
131.08551	3.6
133.10132	17.1
135.08080	3.2
135.11696	16.5
139.07547	4.2
143.08636	1.5
145.10110	7.6
147.11710	11.6
149.13264	3.4
151.11189	1.8
157.10161	2.4
159.08057	2.1
159.11722	3.8
161.09671	1.8
161.13281	4.6
163.14844	4.8
165.12743	1.0
165.65170	0.9
169.10110	1.7
171.11659	1.8
173.09657	4.8
173.13171	1.7
175.11194	4.7
175.14888	1.6
177.09125	4.3
185.13319	2.0
187.11201	7.7
187.14844	7.4
189.12775	1.1
189.16391	30.9
191.10733	2.5
197.13277	3.4
201.12781	1.5
203.17970	3.0
205.15981	5.2
205.19644	1.4
207.17445	68.7
211.14827	1.6
213.16351	1.4
215.14334	12.7
215.17796	1.1
229.15894	64.4
231.17464	7.9
233.15366	23.9
233.17502	1.6
243.17509	4.9
247.16951	23.7
257.19034	3.1
261.54251	0.9
269.18930	1.0
283.20636	2.7
297.22134	1.1
300.24292	1.0
341.60538	1.0
409.34952	1.7
419.32941	2.3
437.34274	27.5
455.35269	100.0
456.35828	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	9.5
57.07071	3.0
67.05497	9.8
69.07068	13.9
71.26469	2.3
79.05501	11.1
81.07063	25.0
83.08623	6.7
89.75216	1.0
91.05478	13.3
93.06475	2.1
93.07047	27.0
95.04977	1.4
95.08611	42.0
97.10165	3.3
99.08103	16.4
105.07032	34.4
107.07878	2.1
107.08601	38.9
109.10161	25.7
111.08073	4.7
116.75894	1.1
117.07038	3.7
119.06202	1.1
119.08585	51.4
121.10145	34.3
123.08045	1.4
123.11717	11.3
131.08568	35.0
133.09119	1.7
133.10136	43.8
135.11694	26.9
137.13264	4.4
143.08540	3.1
145.10132	33.7
147.11687	45.3
149.13271	13.7
157.10126	10.3
158.10992	1.5
158.99574	1.4
159.11691	27.2
161.13264	17.4
163.14839	9.5
169.10107	1.4
171.11720	3.1
172.12445	1.5
173.13257	11.4
175.14824	11.7
177.12762	1.2
177.16429	6.4
179.14325	1.9
183.11729	1.7
185.13271	3.2
187.14828	28.5
189.16388	23.4
191.17953	100.0
197.13194	1.5
199.14801	5.0
201.16380	80.1
203.14391	1.2
203.17947	26.4
205.15915	1.7
205.19511	4.0
207.17484	1.2
211.14716	2.0
213.16386	2.4
215.17888	5.3
217.19505	9.2
219.17430	13.8
227.17972	1.2
229.15948	2.2
229.19548	5.0
231.21088	3.4
241.19550	2.2
247.16934	2.4
252.27676	1.2
255.21025	1.7
261.21686	1.5
265.17981	2.0
267.20947	1.3
269.22638	2.6
337.28830	1.9
344.81882	1.2
391.33505	5.0
409.34625	29.7
419.33459	1.8
437.34192	12.1
455.28964	2.2
455.35220	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	455.3521
Annotation	Melilotigenin B
Peak:m/z	Relative Intensity
55.05499	1.8
57.07071	0.8
67.05512	2.7
69.03426	0.6
69.07078	4.9
70.14961	1.9
77.86501	0.5
79.05493	1.7
81.07068	5.6
81.27235	0.5
83.04987	2.5
83.08615	2.9
85.06535	0.7
91.05477	2.5
93.07050	4.8
95.04955	1.8
95.08615	9.7
97.06505	0.7
97.10181	0.9
97.55045	0.5
98.20784	0.4
105.01749	0.5
105.07051	4.0
107.08601	9.7
109.06521	1.7
109.10168	4.9
111.08083	1.2
111.11694	0.7
117.07017	1.0
119.07792	0.8
119.08587	7.9
121.06512	1.4
121.10151	10.9
123.08065	1.6
123.11731	4.2
125.09605	0.7
130.97472	0.5
131.08553	2.8
133.06413	0.6
133.10123	6.0
135.08049	2.7
135.11711	3.6
137.09610	1.2
137.13243	2.2
143.08508	1.0
145.10100	3.1
147.08064	1.4
147.11656	3.2
149.09616	2.0
149.13260	33.7
151.11124	0.9
155.08502	0.6
157.10149	2.6
159.11691	3.7
161.09631	2.2
161.13243	2.3
163.11159	1.6
163.14847	2.5
169.10132	0.7
171.11681	1.6
173.09555	1.1
173.13264	3.2
175.11201	2.0
175.14760	1.3
177.12740	1.4
177.16312	0.8
183.11703	1.4
185.13252	2.2
186.48407	0.5
187.11195	0.6
187.14796	2.4
189.12714	1.4
189.16341	2.5
191.14334	8.1
191.17938	1.2
193.12292	0.7
195.11882	0.7
197.13174	1.2
199.14857	1.0
201.12744	1.2
201.16510	0.9
203.14337	1.1
203.17986	0.8
205.15923	0.8
207.17453	1.4
213.12772	1.7
213.16290	1.1
215.14346	2.7
215.17865	0.9
217.15909	0.5
217.19533	0.6
229.15871	0.9
231.13808	3.1
231.17336	1.1
233.15431	1.0
239.14238	0.6
243.20958	0.7
257.22693	0.9
259.20520	1.7
273.22256	1.1
281.19119	0.8
299.20157	4.9
299.23465	1.0
339.26874	1.0
353.28210	0.7
395.32968	1.8
397.30853	1.9
401.32083	0.7
404.89316	0.5
409.34933	0.9
419.33163	6.2
437.34174	100.0
438.34399	2.1
455.35190	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	455.3523
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
50.05126	6.6
51.45654	5.7
52.00805	6.5
54.68604	5.7
55.05500	20.4
57.05798	7.0
67.05505	27.8
69.07066	33.1
71.56588	6.8
71.56970	8.1
79.05479	25.3
81.07062	71.8
83.08623	24.2
91.05487	31.7
93.07051	65.9
95.04926	8.3
95.08618	92.1
97.06523	9.1
97.10171	14.1
97.13988	6.3
105.07037	54.4
107.08607	100.0
109.10184	47.2
110.26143	7.6
111.08098	9.4
117.07039	8.3
119.08598	93.8
119.75827	7.4
121.10146	57.1
123.08084	7.4
123.11680	31.2
131.08585	30.4
133.10146	73.1
135.08052	7.7
135.11699	55.8
137.13251	9.5
143.08551	13.0
145.10135	56.1
147.11702	64.0
149.13249	20.9
151.07579	6.7
153.09113	7.3
157.10146	26.1
159.11667	44.6
161.13304	40.4
163.11235	6.7
163.14871	28.9
165.12756	6.8
171.11714	10.1
173.09558	7.7
173.13231	34.3
175.14864	31.5
177.09119	12.9
177.12746	9.3
177.16367	19.6
179.14326	22.3
187.14845	35.3
189.16380	94.7
191.17934	20.4
199.14793	11.2
201.16382	51.6
203.17934	69.1
207.17479	28.5
213.16447	12.0
215.17934	23.3
219.17360	7.5
221.18988	15.2
227.17941	10.8
229.19502	25.8
235.16962	7.0
241.19655	9.0
243.21207	10.7
247.16910	34.5
249.18567	11.6
261.18594	8.2
275.20035	9.3
289.21646	8.5
301.21820	9.2
315.23294	9.8
316.59311	7.7
334.88864	6.8
391.33557	13.5
409.01129	6.1
409.34924	33.9
437.34290	79.8
455.35696	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02341	1.4
53.03950	1.9
53.22160	1.5
55.01845	1.3
55.05507	13.9
57.03421	2.6
57.07085	2.5
61.02899	1.4
65.03954	2.5
67.05506	20.9
69.03425	3.3
69.07058	14.2
69.53479	1.4
71.04979	1.9
71.56424	1.7
73.02894	1.7
73.06559	1.5
79.05491	19.6
81.03413	2.9
81.07063	36.5
83.04974	3.3
83.08615	10.7
85.02879	2.8
85.06561	2.5
91.03957	1.9
91.05482	25.6
93.07050	36.0
95.04944	3.6
95.07993	2.6
95.08604	49.4
97.02857	1.8
97.06522	6.8
97.10183	2.7
99.08096	7.1
103.05487	1.5
105.07034	54.3
107.05019	1.7
107.08597	62.7
109.06503	7.6
109.10160	42.3
109.10911	2.0
111.04443	1.5
111.08113	10.1
113.06026	1.8
115.05389	3.2
117.07034	9.1
119.08584	100.0
121.06501	6.4
121.10147	42.5
123.08062	7.5
123.11719	11.7
125.05997	2.6
125.09683	3.1
125.94036	1.3
127.03867	1.4
127.07557	2.6
128.06221	2.5
129.07005	6.4
130.07787	2.7
131.08566	37.8
133.10124	41.8
135.08043	11.0
135.11699	18.0
137.05943	2.1
137.09612	8.3
137.13322	2.5
141.06999	2.1
142.07716	2.8
143.08565	21.5
144.09331	4.5
145.06421	1.6
145.10121	62.0
147.08034	4.1
147.11702	33.0
149.09615	6.2
149.13289	13.7
151.07571	2.6
151.11119	2.3
153.09065	2.4
155.08513	3.9
156.09341	5.6
157.10121	25.8
158.10899	4.1
159.08089	2.5
159.11700	36.6
161.09630	4.8
161.13263	37.8
163.07555	4.1
163.11177	5.9
163.14801	10.8
165.12733	1.9
168.09288	1.4
169.10130	7.9
170.10887	6.3
171.11682	19.1
172.12415	2.5
173.13255	39.3
175.11235	4.6
175.14810	25.8
177.09129	2.2
177.12823	4.0
177.16443	9.8
179.10646	2.7
179.14297	8.3
181.10161	3.7
182.10872	1.9
183.11699	12.1
184.12544	2.3
185.13242	29.5
187.14824	50.1
189.12727	8.8
189.16393	10.1
191.14296	8.0
193.15993	2.3
195.11729	3.5
195.13794	2.0
197.13251	9.1
199.14812	38.4
201.12813	2.4
201.16386	39.9
203.14342	6.3
203.17990	4.7
205.12367	1.7
205.15869	16.0
207.11829	2.3
207.13815	3.6
209.13271	4.8
209.15276	2.3
211.14812	12.3
213.12898	2.3
213.16386	29.9
215.14365	5.8
215.17938	5.2
217.15903	7.3
219.13808	2.7
219.17435	4.2
221.13336	2.2
221.15454	2.1
223.14816	2.8
223.16920	3.7
225.16429	5.3
227.14485	1.9
227.17885	12.0
229.15982	3.6
229.19585	2.8
231.13846	2.8
231.17441	4.3
233.15332	8.3
239.18015	6.3
241.19638	3.7
245.15387	16.2
247.17044	4.2
251.17906	4.1
253.19507	4.6
259.16916	20.0
263.17963	2.1
267.21146	3.2
269.19165	2.3
269.22540	1.6
273.18552	9.7
275.20062	6.9
279.08801	1.7
279.21249	2.2
281.22571	2.2
285.18594	2.8
285.22128	2.1
287.20221	1.9
292.12589	2.5
299.20026	3.5
303.23328	2.3
307.24374	2.3
313.21457	2.5
327.23257	1.8
337.25287	1.8
353.24838	1.8
373.28909	9.9
391.29874	46.9
393.31641	5.7
409.31003	52.2
411.32782	3.4
419.29474	19.5
437.25290	2.6
437.30597	23.0
455.26340	2.8
455.31604	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	455.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62334	0.6
62.99353	0.6
70.04690	2.3
78.70223	0.7
84.38261	0.7
89.80960	0.7
91.12440	0.7
98.97579	0.8
112.89603	19.9
119.01956	1.1
122.01384	1.6
131.00110	2.1
131.01924	1.4
137.01884	1.7
143.01915	2.2
147.81665	0.7
149.01123	1.7
170.01117	0.8
172.80005	0.6
173.02995	2.1
185.03036	1.4
203.04059	2.5
224.04549	0.7
230.21909	0.6
245.05196	3.3
284.06760	1.2
288.27643	0.8
293.05414	1.7
301.07227	0.8
365.09244	1.1
384.76340	0.7
455.11624	100.0
456.11710	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2255
Annotation	Incaspitolide E
Peak:m/z	Relative Intensity
55.05511	1.8
56.85713	0.5
58.36243	0.5
67.05492	1.7
69.03426	0.9
70.47009	1.6
78.92737	0.5
79.05481	0.9
81.03433	0.7
81.07053	0.9
83.08609	0.8
84.04525	0.8
85.45325	0.5
85.65798	0.5
86.76804	0.5
91.05463	0.5
93.07037	0.7
95.04984	0.6
95.08608	0.6
96.05044	0.5
97.06513	0.6
97.10192	1.1
98.83034	0.5
107.08578	0.8
109.10151	0.6
111.04379	0.5
119.08604	0.6
121.10153	0.9
124.81476	0.5
125.09652	0.5
126.09158	1.6
145.10158	0.5
154.08667	4.6
157.77640	0.5
159.11635	0.6
170.72328	0.5
186.09477	0.5
189.65440	0.5
200.09193	1.9
205.12018	1.2
209.10178	0.6
217.11926	1.6
223.11667	0.6
227.11365	0.6
241.12804	0.9
289.21399	2.2
291.19708	0.7
305.20932	3.2
307.22418	15.8
323.21973	15.3
333.20142	0.7
337.12592	5.0
341.21744	0.7
350.41443	0.5
351.21255	4.7
367.23593	0.5
369.22369	5.6
387.22263	2.3
393.22516	1.2
401.19467	1.4
411.23560	6.5
419.20428	1.4
437.21445	6.9
455.22519	100.0
456.22879	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2929
Annotation	Glycerophospho-N-Palmitoyl Ethanolamine
Peak:m/z	Relative Intensity
55.05511	2.3
57.03434	3.1
57.07078	20.3
62.06092	24.8
67.05499	3.8
69.07080	4.7
69.96887	3.0
70.83591	0.8
71.08636	14.5
77.92169	0.6
79.05463	1.0
81.07080	4.3
83.08614	3.9
85.10184	8.4
89.06000	0.8
93.07063	0.8
95.08604	9.0
97.10172	2.2
98.98474	4.4
109.10156	3.7
121.10194	0.9
123.11714	1.5
124.01569	0.9
142.02657	1.0
155.01035	5.7
173.02193	1.2
184.14211	0.8
196.42412	0.8
198.05322	1.4
216.06323	2.5
218.58942	0.8
239.23685	1.3
282.27930	26.4
313.27377	100.0
393.24100	6.8
395.07895	0.8
419.28006	0.9
436.28119	4.4
454.29245	1.3
454.34778	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3366
Annotation	Melliferone
Peak:m/z	Relative Intensity
53.03927	0.7
55.05519	1.0
57.07066	1.3
64.20781	0.5
65.46933	0.5
67.05495	1.7
69.07067	2.7
70.15383	2.2
73.06573	0.5
79.05491	3.8
81.07072	5.4
83.08632	1.0
88.58167	0.5
89.06054	0.5
91.05479	1.9
93.07042	6.1
95.04968	0.8
95.08620	5.8
97.06525	2.3
98.20896	0.6
99.08089	2.2
105.07031	5.5
107.04926	0.5
107.08603	8.8
109.06526	1.2
109.10160	4.7
111.08092	0.9
117.07069	0.8
119.08585	9.2
121.06522	1.9
121.10146	9.0
123.08056	1.4
123.11714	1.3
125.02631	0.4
125.06003	6.2
131.08611	2.6
133.10126	6.2
135.08063	2.2
135.11710	2.6
137.09625	0.7
139.07550	5.1
139.11205	0.9
143.08591	1.6
145.10123	11.6
147.08118	0.6
147.11696	5.1
149.09631	4.1
149.13222	1.1
155.08665	0.8
157.10127	1.7
159.08105	1.9
159.11684	3.5
161.09645	1.5
161.13271	2.9
163.11180	22.0
163.12552	1.1
163.14792	2.4
167.86142	0.4
169.10162	1.4
171.11739	1.3
173.09647	4.4
173.13268	1.9
175.11180	7.2
175.14790	0.5
177.09134	2.3
177.12813	0.8
177.16429	1.4
182.10886	0.7
183.11656	0.7
185.13275	1.1
187.03864	0.5
187.11200	4.2
187.14828	8.9
189.12756	0.6
189.16386	4.9
191.10710	3.3
197.13187	2.9
199.14891	0.6
201.16411	1.4
205.15891	40.7
206.16327	0.5
207.17487	1.8
211.14841	2.7
215.14317	14.0
215.16324	0.9
219.17502	2.0
227.17981	0.5
229.15884	39.1
231.17511	3.0
233.15364	29.3
243.17491	3.1
247.16977	9.5
249.18523	1.3
255.17575	0.7
257.18967	1.5
283.20499	1.3
297.21976	0.6
306.95377	0.4
319.19534	1.8
337.20554	2.0
360.22214	0.8
417.31696	0.8
435.32623	16.0
453.33676	100.0
454.34079	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	453.336
Annotation	Stellettin J
Peak:m/z	Relative Intensity
51.91430	1.8
55.05514	10.9
56.96564	1.8
57.07064	4.7
58.28975	1.6
67.05501	18.0
69.07056	17.8
71.08617	2.1
71.56192	2.5
79.05491	16.2
79.05923	2.8
81.07051	28.5
83.04971	2.4
83.08614	9.7
85.06535	2.8
86.09698	3.4
91.05481	18.9
92.39572	1.7
93.07045	27.5
95.04984	4.6
95.08603	49.6
96.36979	1.9
97.06560	3.2
97.10140	2.8
99.08086	10.1
105.07033	44.0
107.08593	56.2
109.06538	2.4
109.10159	29.5
115.05491	2.7
117.07024	8.3
119.08580	86.7
121.10146	45.2
123.08119	2.4
123.11717	9.6
129.07018	3.8
130.07791	2.6
131.08560	33.8
133.10124	46.2
135.08047	3.1
135.11693	24.0
137.13217	3.4
142.07785	2.7
143.08563	8.4
144.09363	3.3
145.10118	64.9
147.11682	42.3
149.13245	10.9
151.11223	2.2
155.08528	2.7
156.09351	2.9
157.10114	12.4
158.10919	5.8
159.11690	45.2
160.12090	2.3
161.13263	19.5
163.11188	19.0
163.14786	10.3
169.10129	4.6
171.11676	16.5
172.12502	2.6
173.13255	26.2
175.14821	32.1
176.99890	2.4
177.09108	2.2
177.12732	3.2
177.16391	24.0
179.14297	3.6
183.11716	5.2
184.07388	5.3
184.12599	2.1
185.13260	11.7
186.14020	2.6
187.14809	53.3
189.16377	81.4
190.13527	2.1
191.14311	2.7
191.17963	9.9
195.13687	2.4
197.13348	3.6
199.14839	12.8
201.16373	100.0
202.16818	2.4
203.17955	15.7
205.15874	99.2
207.17404	6.8
209.13223	2.6
211.14864	6.1
213.16333	13.5
215.17953	14.2
217.15862	6.0
217.19510	3.5
219.17409	5.0
223.14951	2.2
225.16431	3.8
227.17986	5.9
229.15965	2.1
229.19518	3.6
231.17384	4.7
233.19167	3.2
237.16386	3.0
239.17825	2.3
241.19537	3.8
243.21146	2.5
247.17027	8.2
251.17961	2.2
259.16953	2.5
267.21048	2.7
269.22803	1.8
333.20438	9.2
335.27399	2.6
389.32214	10.4
407.33121	62.2
408.33527	2.4
409.34705	2.3
425.34412	2.9
435.32465	23.8
453.33682	62.0
454.33862	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	453.3365
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03934	3.8
53.61482	2.7
55.05507	21.0
56.96539	3.5
57.03425	3.3
57.07057	6.4
61.02929	3.1
67.05177	3.7
67.05504	46.4
69.03420	6.2
69.07075	24.4
70.31558	6.6
70.31918	5.8
79.05499	34.6
81.07059	66.4
83.04984	15.8
83.08631	17.5
85.06574	4.0
86.09737	3.1
91.05483	38.2
93.06484	3.3
93.07045	58.2
95.04956	11.6
95.08609	84.8
97.06512	10.3
97.10169	6.9
99.08087	3.2
105.07036	79.4
107.04939	5.2
107.08601	76.7
109.06499	9.1
109.09459	5.2
109.10152	56.7
111.08066	12.8
117.07051	13.7
119.08582	100.0
121.06489	3.4
121.10149	64.0
122.99812	2.7
123.08091	5.6
123.11735	21.2
125.09602	11.5
129.06990	9.7
131.08574	36.8
133.10133	62.8
135.08035	5.0
135.11684	27.9
137.09569	5.5
137.13254	5.7
142.07710	3.3
143.08575	17.9
144.09351	6.1
145.10124	65.0
147.11693	44.1
149.09642	6.7
149.13281	18.7
151.11121	5.0
153.09113	3.3
155.08481	3.5
157.10153	15.9
158.11011	3.5
159.11700	59.9
161.09605	4.7
161.13263	32.6
163.11145	4.7
163.14801	20.2
165.12788	3.0
169.10118	5.2
171.11708	18.1
172.12592	3.3
173.11789	5.8
173.13223	31.2
175.14813	28.2
177.12801	4.0
177.16409	26.2
183.11653	3.0
184.07344	10.6
185.13225	10.7
187.14847	51.4
189.16385	65.5
191.14320	14.9
191.17902	15.5
193.15872	3.4
195.11761	3.3
197.13264	4.1
199.14803	18.0
201.14583	6.1
201.16391	76.6
203.14409	3.0
203.18016	21.7
205.15845	27.6
207.17503	5.3
209.82697	2.8
210.18536	45.4
211.14803	3.5
213.16380	32.6
215.17940	25.2
217.15854	16.2
217.19502	12.6
219.17438	47.8
225.16435	4.3
226.17912	4.1
227.17992	6.5
227.21143	13.3
229.14352	6.9
229.19502	7.4
231.17427	6.3
233.15286	3.6
233.18987	5.8
235.16945	20.9
239.17950	6.4
241.19519	10.4
243.21104	7.4
247.16933	10.5
253.19502	5.1
255.21089	8.1
257.22467	3.1
261.18518	7.3
267.21057	10.3
281.17365	4.7
281.22589	3.6
299.19861	3.7
333.20462	6.5
371.15854	3.4
389.32056	14.1
395.29681	3.4
407.33154	70.3
409.34625	10.0
423.32535	7.6
435.22012	3.8
435.27237	14.8
435.32632	22.2
453.33646	68.4
454.21878	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	451.267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42666	0.6
55.05510	1.4
56.96552	0.8
67.05508	5.1
67.69256	0.6
69.07048	1.6
69.62691	0.6
69.73961	2.2
69.74379	1.3
71.45882	0.5
79.05483	2.1
81.07074	6.0
83.08624	1.3
86.09702	2.3
91.05473	1.3
93.07034	2.5
95.08613	4.6
97.06542	0.7
97.10169	0.6
98.21489	1.1
98.98484	1.0
105.07026	1.3
107.08599	1.2
109.06544	1.3
109.10159	2.2
119.08574	1.3
121.06556	0.8
121.10150	0.9
123.11620	0.7
124.99998	1.0
133.10175	0.9
137.13245	0.7
145.10120	0.9
157.10144	0.9
159.02660	100.0
159.11641	0.7
171.11670	0.8
177.09055	0.8
184.07385	2.0
200.05344	1.1
297.24228	1.4
315.22974	32.7
383.09314	0.6
451.27069	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.1
55.05507	26.0
56.80559	3.8
56.96572	5.5
59.89598	3.5
65.03934	5.8
67.05510	53.0
69.03427	4.1
69.07070	21.0
71.04993	5.4
75.88825	3.0
79.05508	30.7
80.05006	4.2
81.07057	76.5
83.04984	6.5
83.08614	13.0
86.09695	8.8
91.05489	34.1
93.07045	59.8
95.04989	5.7
95.08605	85.3
97.06519	7.4
97.10147	8.1
97.63371	3.0
105.06389	5.0
105.07031	57.2
107.04920	3.6
107.08591	73.3
107.73069	3.1
109.06525	8.3
109.10159	80.4
111.08112	6.5
111.11715	4.2
117.06983	10.3
118.82375	3.4
119.08572	89.4
121.10141	62.9
123.08080	5.1
123.11699	13.7
125.05994	3.6
125.09658	4.0
131.08557	34.2
133.10121	44.5
135.08058	4.5
135.11690	28.1
139.11217	4.9
143.08539	20.1
145.10120	50.7
147.11684	40.1
149.13257	20.3
151.11148	8.0
157.10132	29.1
159.11687	34.2
161.13266	31.0
163.07607	5.2
163.11153	4.5
163.14813	13.2
165.12799	7.9
167.08507	3.9
169.10143	10.4
171.11707	23.2
173.13266	35.1
175.14825	28.6
177.16353	20.2
183.11697	9.8
184.07332	9.4
184.12384	4.1
185.13264	12.7
187.14818	37.3
189.16403	31.6
191.17928	3.7
195.11761	5.5
197.13266	9.1
199.14845	25.1
201.16379	49.2
203.17906	13.3
205.15831	10.1
207.17455	10.9
209.13179	6.0
211.14819	8.0
213.16377	18.0
215.13907	6.0
215.17955	12.1
217.15776	4.4
217.19492	3.4
219.17558	8.4
225.16423	7.2
227.17964	9.7
229.07761	3.7
229.19432	4.4
231.13922	4.0
233.15256	7.6
237.16327	4.1
239.17900	7.9
241.19437	8.7
245.15326	10.0
247.16933	10.2
253.19449	13.7
259.16891	7.2
267.21240	9.1
271.16910	3.6
273.18414	12.3
281.22647	8.1
285.18512	8.2
286.94617	4.4
287.20050	6.1
293.22458	4.4
299.20004	10.5
327.22946	11.2
333.20276	10.1
359.31403	4.0
365.80447	3.7
371.15884	4.0
389.31967	12.0
407.33112	67.8
409.34738	4.5
423.32785	5.5
435.32681	34.2
453.24054	6.9
453.34015	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23677	4.1
53.03950	8.2
55.01856	10.0
55.05500	21.1
57.03439	9.1
61.02909	7.6
67.05513	32.3
68.99788	7.6
69.03432	62.9
69.07061	32.5
70.45006	4.5
70.78015	4.3
71.04979	4.6
71.56580	6.5
73.02911	6.9
79.05499	32.1
81.03420	34.4
81.07057	85.3
83.04967	9.2
83.08630	7.4
84.76611	4.6
85.02908	61.1
86.09682	4.8
87.00832	31.8
87.04454	5.5
91.05480	41.9
93.07043	57.8
95.04975	17.0
95.08607	67.9
97.02892	30.1
97.06539	22.3
99.04456	12.3
103.49176	5.2
105.01868	9.6
105.07037	80.4
107.04941	6.2
107.08601	72.8
109.02879	12.7
109.06518	13.3
109.10148	52.6
111.04469	10.4
111.08032	7.2
115.03931	11.5
117.07028	13.4
119.04971	4.5
119.08585	96.6
121.06487	9.4
121.10152	44.9
123.08003	5.7
123.11703	14.8
127.03927	31.0
128.06140	6.1
129.01855	6.3
129.05467	5.3
129.06990	8.1
131.08578	31.2
133.10129	41.3
135.08038	12.4
135.11681	15.9
137.06030	10.9
142.07826	8.1
143.03395	5.4
143.08575	20.9
145.04933	7.2
145.10129	76.1
147.08055	7.9
147.11690	62.0
149.09651	9.8
149.13242	21.7
155.08652	5.8
156.09337	7.6
157.10175	26.7
159.02904	9.8
159.08049	11.1
159.11711	61.6
159.77397	4.4
161.09616	6.3
161.13266	36.0
169.10133	17.3
171.11633	29.7
173.13269	28.2
175.07516	5.4
175.11220	7.0
175.14819	39.4
182.10788	4.6
183.11699	10.9
184.07411	10.6
185.13257	19.3
187.14764	22.2
189.03986	7.7
189.16376	20.2
195.11743	9.6
197.13237	12.2
199.14819	13.8
201.03929	6.3
201.16396	88.2
203.17973	100.0
209.13298	7.5
211.07567	5.0
211.14896	6.7
213.16351	29.6
215.17882	27.9
215.19754	5.2
217.15932	6.8
217.19431	5.6
225.16396	8.3
227.14365	4.9
227.18027	13.5
229.15976	8.7
231.04968	12.9
231.17465	28.7
233.19006	13.6
239.18028	10.5
243.17456	12.4
245.18956	7.3
257.19128	7.3
259.09723	6.8
269.18973	9.8
275.20221	21.8
287.20361	7.6
293.19012	12.8
311.20087	34.2
329.21225	35.7
347.22250	10.0
379.14102	5.7
389.23657	17.2
415.21103	41.7
433.22137	44.9
451.23260	52.0
451.32773	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	451.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01851	1.6
55.05505	2.4
56.96566	3.9
57.03438	10.7
57.51189	1.3
59.05003	2.9
60.04534	2.3
61.02930	8.1
64.72324	1.2
67.05495	4.8
69.03430	31.4
69.07057	4.1
70.06571	3.5
70.90107	4.0
71.04997	1.9
72.08156	7.5
73.02913	4.4
79.05506	2.6
81.03414	6.0
81.07049	3.3
84.08102	2.6
85.02908	85.8
86.09700	2.9
86.75271	1.4
87.04464	14.2
91.03949	4.2
91.05472	3.7
93.07097	1.5
95.04968	3.6
97.02900	43.5
97.03520	2.3
97.06512	2.5
98.97585	5.1
99.04453	3.7
103.03954	4.4
103.05415	1.6
107.08617	2.3
108.08111	7.2
109.02892	10.2
109.06522	1.7
110.97550	2.0
113.84641	1.3
115.03947	11.2
116.98578	1.9
118.06548	2.3
119.01917	2.9
120.08103	22.3
121.10155	1.9
122.06030	4.2
123.08033	1.5
124.07577	2.1
125.05997	3.4
126.05511	5.0
126.09145	3.3
127.03915	22.8
133.04974	10.3
134.05923	1.5
136.07574	21.6
137.05991	5.3
140.07066	61.9
145.03035	1.3
145.03912	2.6
145.04968	35.4
147.04411	1.7
148.07526	7.0
150.07610	7.3
150.08968	2.2
152.07066	16.5
154.08626	4.0
155.11801	3.2
158.99635	2.1
161.02917	2.8
162.09106	1.6
163.06018	22.6
164.07098	23.4
166.08795	1.3
178.08643	14.7
182.08136	100.0
184.07384	2.6
187.12314	3.0
205.09587	1.6
206.08125	45.9
213.10243	1.7
214.11050	4.9
215.07138	2.6
215.11816	3.2
215.15436	2.3
218.08163	6.8
225.13850	2.6
226.12215	2.6
228.12637	4.6
236.09230	6.7
237.02824	3.1
239.02283	1.4
242.10486	1.4
243.14941	41.3
248.09236	11.6
253.13297	3.2
266.10263	5.9
271.14413	57.4
284.11331	11.6
284.15662	2.0
289.12286	2.3
289.15466	54.0
302.12372	33.0
307.05676	1.5
330.18225	2.1
352.19467	2.6
433.20416	1.9
451.21237	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	450.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01474	1.5
53.12930	1.5
55.01863	4.4
55.05516	11.5
57.03436	9.3
57.03669	1.6
60.76371	1.5
64.45865	1.6
65.03959	2.4
67.05506	96.1
68.99797	3.5
69.03416	3.2
69.06788	1.5
69.07069	17.7
70.80639	5.2
71.04980	4.3
71.08636	18.3
79.05498	27.8
80.75927	1.5
81.03395	4.6
81.07059	68.4
83.04971	8.1
83.08604	8.6
85.02883	2.7
85.06529	5.9
87.00835	8.8
87.04443	3.7
91.05476	37.0
93.07048	25.3
95.04957	4.2
95.08611	82.4
97.06541	17.1
97.10169	2.2
99.08101	22.9
101.06026	4.6
104.10728	2.3
105.07032	26.0
106.38115	1.5
107.04957	2.2
107.08611	15.7
109.06435	1.6
109.10159	7.7
111.08059	7.1
113.09605	3.8
115.13680	1.5
117.06992	3.7
119.04947	2.3
119.08584	29.5
121.10161	23.2
122.66431	1.8
123.08054	4.2
123.11713	2.3
127.03919	1.9
129.06969	2.2
131.08571	8.3
133.10129	10.0
135.08069	2.0
135.11688	9.6
137.13254	3.9
139.11172	1.8
141.09109	22.2
145.10095	4.9
147.07991	1.8
147.11691	45.0
149.09550	1.6
149.13254	19.9
153.12764	3.1
157.10144	2.4
159.10190	25.5
159.11572	3.6
161.09596	3.5
163.11208	1.6
163.14674	2.0
165.12752	20.9
167.14304	2.6
175.11172	4.7
177.12715	11.3
180.02843	1.8
183.13811	100.0
184.07333	3.3
191.14355	2.5
193.12201	3.1
211.13196	2.8
225.14807	5.3
229.14333	9.5
229.19493	3.9
247.20457	3.8
253.14308	3.1
255.08687	5.7
265.21628	43.0
269.13785	1.9
275.20187	3.6
279.12292	58.8
283.22589	2.9
288.05920	4.7
293.21085	2.3
296.12650	1.9
297.13345	35.3
311.22153	6.0
315.14362	21.1
361.20071	2.1
375.08755	1.7
379.21054	9.4
397.22238	17.3
432.10739	4.7
450.11237	1.9
450.27869	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	449.2382
Annotation	Atractyloside A
Peak:m/z	Relative Intensity
53.03945	2.1
53.72601	1.5
55.01867	2.8
55.05512	3.5
56.96569	2.6
57.03429	4.0
61.02924	2.9
67.05496	6.5
69.03434	10.2
69.07065	4.6
71.56802	3.3
72.06730	1.8
73.02912	5.1
79.05490	11.1
81.03423	4.9
81.07059	100.0
82.16980	1.8
83.04983	2.8
83.08600	2.5
85.02909	48.1
85.84354	1.7
91.05486	5.9
93.07045	8.5
94.29761	1.5
95.04976	3.0
95.08613	18.8
97.02902	9.6
97.06559	7.6
98.06010	1.7
98.97562	4.0
105.07034	6.4
107.04961	1.9
107.08579	8.9
109.02915	3.0
109.06544	2.0
109.10129	3.8
110.97613	2.6
111.04388	1.8
115.03958	2.5
117.07004	2.9
119.08595	3.4
121.10148	2.5
123.11725	2.1
127.03954	10.5
129.06897	2.4
131.08580	5.5
133.10129	5.3
135.04396	2.2
135.11728	5.7
137.06013	2.1
137.13268	49.3
143.08539	2.4
145.04976	16.3
145.10159	4.2
147.11687	3.3
149.09554	1.8
149.13281	3.5
153.01813	3.4
157.10194	2.6
158.93483	1.6
159.11708	3.6
161.13271	2.2
163.03864	2.6
163.06013	14.1
167.22464	1.7
170.99666	2.5
171.11668	1.9
184.07286	3.1
205.40541	1.7
215.06996	2.2
245.15436	3.2
249.02814	4.5
259.09598	1.7
263.16510	6.3
281.17493	6.6
286.04749	3.9
287.05475	67.1
288.05515	4.9
299.18506	4.4
301.07181	4.6
302.07449	6.0
302.17404	2.0
303.07724	14.8
317.19571	40.6
375.20047	2.8
442.38730	1.8
447.47772	1.7
449.02856	4.7
449.14532	2.9
449.27432	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	449.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
60.15121	0.6
67.05489	1.3
67.40658	0.6
68.61881	0.6
69.07069	0.8
69.49154	0.5
70.21777	2.0
71.63094	0.6
76.77338	0.6
79.05480	1.9
81.07036	1.3
86.09680	0.9
91.05470	1.0
93.07049	2.0
95.08601	0.9
105.07072	0.7
107.08602	1.7
109.10159	0.8
125.00019	0.8
135.11731	0.7
144.65224	0.6
159.02654	100.0
165.48845	0.6
184.05362	0.6
200.05258	1.4
287.05157	0.7
291.23181	0.8
313.21381	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	luteolin-4'-O-glucoside
Peak:m/z	Relative Intensity
55.05496	0.2
56.96546	0.2
57.03420	0.2
67.01836	0.5
67.05476	0.4
68.99778	0.4
69.03402	0.4
69.07031	0.2
71.56482	0.2
73.02895	0.2
79.05480	0.2
81.03388	0.3
81.07034	0.4
85.02904	0.7
86.09718	0.2
89.03913	0.2
91.05473	0.3
93.07018	0.4
95.08603	0.1
97.02879	0.3
97.06500	0.5
98.97557	0.3
99.04404	0.1
107.08554	0.2
109.02831	0.2
109.10148	0.2
110.97520	0.1
117.03374	0.2
125.09686	0.1
127.03912	0.3
128.43816	0.1
133.10124	0.1
135.04414	1.7
137.02339	0.5
147.08052	0.1
153.01846	4.6
161.02324	0.6
163.11166	0.2
165.12675	0.1
171.02841	0.3
179.03439	0.2
192.01012	0.1
196.01138	0.1
203.03374	0.2
213.05490	0.2
237.02863	0.1
241.04962	0.3
255.15805	0.2
259.09830	0.1
269.04459	0.3
286.04651	0.1
287.05499	100.0
288.05841	1.3
354.01266	0.1
431.22519	0.2
449.10797	22.3
450.11099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
52.42184	0.1
58.02850	0.1
67.01859	0.4
68.99801	0.3
69.81412	0.3
80.96315	0.1
89.03900	0.1
99.88562	0.1
100.74680	0.1
107.04956	0.1
111.00854	0.1
117.03393	0.1
129.01843	0.1
135.04427	1.6
137.02335	0.3
153.01830	4.7
161.02354	0.3
171.02875	0.2
179.03400	0.3
185.05951	0.1
201.05547	0.1
203.03363	0.1
203.94272	0.1
217.05009	0.1
219.06473	0.1
228.13747	0.1
231.06496	0.1
237.14330	0.1
241.04916	0.4
245.04466	0.1
246.14934	0.5
246.65147	0.1
259.06033	0.2
269.04541	0.4
287.05493	100.0
288.05820	1.1
449.10886	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53202	0.5
53.03928	0.5
55.05484	0.6
56.05006	1.4
57.05804	0.4
60.05623	1.2
61.02924	0.6
69.03393	0.8
69.89497	2.1
70.06599	2.2
75.12424	0.4
79.05470	0.5
81.42833	0.4
83.06072	1.1
83.61529	0.5
84.04458	0.5
84.08135	0.5
85.02885	1.4
91.05445	1.2
92.04977	0.6
95.06071	0.9
95.08594	0.5
96.04466	0.5
97.02850	1.3
97.07618	0.5
98.97536	0.6
105.03346	1.5
105.05760	0.7
106.06544	1.0
111.05561	4.1
113.07125	0.7
114.81852	0.4
120.04468	13.2
123.05505	1.1
126.05773	0.6
126.06650	7.5
127.03886	0.7
127.07393	0.8
132.04456	18.6
133.05124	0.7
134.06012	8.2
137.04634	1.4
137.05956	1.1
140.08240	0.9
145.03900	0.5
146.02345	0.8
151.06152	8.4
157.07452	0.5
168.08829	2.4
185.06992	0.5
202.09743	13.5
215.08037	0.7
216.11354	3.7
230.09247	8.9
231.12363	0.5
232.10750	3.8
242.09285	4.0
255.08763	0.6
257.10352	5.0
259.11905	75.2
260.12549	0.5
277.12881	2.2
278.05685	0.5
284.11392	5.4
286.10654	0.8
301.14087	6.2
302.12460	29.4
319.15109	1.7
344.36621	0.4
362.18134	1.1
404.15942	0.5
406.17227	13.2
413.15356	0.4
430.18594	1.6
431.16849	0.5
448.19424	100.0
449.19778	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3836
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05503	2.4
57.07080	5.3
67.05502	2.7
69.07082	4.8
71.08631	3.9
71.20712	1.7
71.21051	1.5
76.22923	0.8
77.58237	0.8
79.05482	3.7
81.07058	4.7
83.08617	5.2
85.10184	2.0
85.10665	0.8
87.57433	0.8
91.05467	5.3
93.07036	1.2
95.05005	1.2
95.08613	4.2
97.10169	1.7
105.07005	2.5
107.08591	23.3
109.10149	4.0
111.11698	0.8
115.94054	1.0
119.08594	1.4
121.06542	0.9
121.10129	1.8
123.11777	1.0
135.08057	35.7
137.09628	7.8
139.07516	5.7
147.11678	1.1
149.02382	1.2
149.09662	4.4
151.07619	1.5
153.09105	3.3
161.48154	1.1
163.07553	26.1
163.11215	3.3
164.08357	1.6
165.09113	100.0
166.09459	2.8
173.13261	1.0
175.11179	1.7
177.09131	3.6
179.10721	0.9
181.08598	4.8
187.11171	1.2
191.10695	2.5
205.12244	2.7
246.42989	1.0
389.17517	1.1
401.37827	3.3
415.99847	1.1
419.22128	2.3
429.37384	32.4
447.21414	7.9
447.32681	1.0
447.38345	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	447.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.05508	6.8
56.96560	2.7
57.03444	8.2
57.07066	1.5
61.02935	1.8
61.52359	1.1
65.03945	1.3
67.05178	1.8
67.05510	29.1
69.06733	1.2
69.07060	8.4
70.14465	4.6
71.08638	2.2
79.05496	22.4
81.07059	31.3
83.04971	1.2
83.08611	5.1
84.43939	1.2
85.06529	1.4
91.05486	14.2
93.07047	27.4
95.04980	2.7
95.08613	26.2
97.06586	1.4
97.10152	2.1
98.97621	2.1
99.08071	1.6
105.04410	1.3
105.07030	12.5
107.08598	19.0
109.06544	1.1
109.10163	10.4
113.00023	100.0
115.70769	1.3
116.07862	1.1
117.07028	4.9
119.08565	8.8
121.10143	14.4
123.08082	1.5
123.11728	3.9
131.08580	8.6
133.10152	7.3
135.08015	1.4
135.11681	9.7
137.13298	1.5
145.10086	8.3
147.11729	5.8
149.13281	6.8
154.30019	1.2
159.11691	5.3
161.13304	4.9
163.11095	1.8
163.14809	6.4
165.16440	1.2
169.02621	71.9
173.13297	4.4
175.14844	1.8
177.12805	1.3
177.16428	2.4
187.03673	10.4
187.14857	3.3
206.58618	1.0
231.21599	1.1
233.22667	1.9
238.17424	1.0
243.21109	19.7
261.22144	31.1
298.41049	1.1
298.74384	1.1
317.24844	6.9
335.25812	40.5
347.15527	1.5
349.16965	2.8
365.16428	2.5
367.17899	5.0
396.25055	1.3
429.23969	3.8
447.27213	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	447.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.3
55.05503	31.4
57.03427	12.6
57.06823	4.5
57.07079	48.6
67.05507	49.2
69.07065	36.6
69.47483	22.8
71.05003	5.2
71.08636	25.7
72.04610	3.5
79.05145	3.5
79.05499	44.3
81.07063	64.9
83.04984	7.9
83.08621	27.7
85.06517	10.6
85.10178	13.2
91.05474	47.8
93.07048	44.9
95.04958	10.1
95.08607	46.4
97.06529	9.4
97.10165	14.9
99.04408	4.1
99.08070	4.6
105.07038	46.5
107.04966	6.3
107.08601	28.3
109.06498	10.0
109.10171	18.7
115.05439	7.0
117.07014	34.8
119.08576	22.6
121.06495	5.5
121.10139	23.9
123.08006	4.7
123.11741	5.1
125.06079	3.7
125.09649	3.6
125.13264	4.7
128.06192	12.0
129.07002	33.9
131.08582	56.7
133.06540	5.4
133.10110	20.1
134.98193	94.8
135.08055	5.3
135.11649	5.4
137.13339	3.6
141.06960	8.0
142.07690	4.0
143.07039	12.4
143.08557	37.1
145.06487	7.2
145.10129	27.6
147.08084	3.8
147.11682	9.0
149.02370	5.1
149.09659	4.5
153.06940	4.3
155.08553	17.4
157.10165	19.4
159.08066	5.1
159.11636	15.5
161.09521	4.6
167.08556	8.1
169.10138	14.2
171.11678	11.9
173.13260	5.8
181.10141	10.1
183.11743	6.3
185.13263	8.6
195.06554	6.0
195.11624	4.4
209.13338	5.8
211.14743	4.1
213.16354	4.5
214.18835	3.4
219.71806	3.4
221.13350	6.5
223.14841	5.7
225.12706	5.1
231.17352	6.0
235.14798	7.7
237.16435	4.2
239.14276	3.8
247.24271	3.6
267.17395	3.8
313.27353	59.5
335.25696	5.9
337.25092	7.0
347.23630	13.9
355.26202	9.9
365.24750	27.7
383.25818	47.5
404.13031	3.5
415.23257	6.5
415.28418	84.0
419.35605	4.5
429.30048	13.9
447.24896	100.0
447.30652	15.3
447.35223	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	447.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.6
55.05511	11.6
56.96563	3.7
57.03446	11.0
59.04979	2.6
61.02926	7.2
62.99205	2.2
67.05508	11.3
69.03429	12.3
69.07069	10.7
69.94786	9.9
70.06581	4.6
71.04989	4.8
73.02917	5.4
79.05486	13.3
81.03419	54.3
81.07063	16.6
83.04989	20.7
83.08627	13.9
85.02900	22.6
86.06087	1.8
86.09700	3.3
87.04424	2.3
88.00095	2.0
91.03987	2.7
91.05482	16.7
93.07036	12.8
95.04984	17.2
95.08594	7.7
97.02902	18.3
97.06539	7.8
98.21394	3.9
98.97581	7.7
99.04407	2.0
99.08041	1.9
103.07532	2.7
105.07034	15.0
107.04977	5.9
107.08594	7.2
109.02865	5.9
109.06528	3.3
109.10126	2.0
110.97510	2.1
111.04465	7.9
111.08079	7.6
112.99135	3.5
116.98653	2.5
119.08565	8.3
121.10156	6.3
123.08050	3.9
127.03893	9.5
129.05470	2.7
129.06993	5.2
131.00172	3.1
131.08569	6.8
133.06497	2.1
133.10120	8.3
142.07701	2.5
145.04955	2.5
147.11691	14.5
149.01215	2.9
149.09615	4.9
157.10130	7.6
158.99623	2.6
163.11168	4.7
165.12819	3.1
175.11195	14.0
181.12285	2.7
193.12259	51.3
211.13298	28.3
229.07283	5.0
229.09334	5.0
229.14111	3.5
231.87228	2.5
241.07391	3.3
246.14899	5.1
252.09416	7.5
267.09140	2.7
267.15979	21.6
272.35596	2.1
285.16968	100.0
333.11932	6.5
387.16803	2.5
429.21497	9.9
447.17947	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01328	1.4
52.45005	1.3
53.03939	2.7
55.01868	2.1
55.05525	10.1
56.96556	6.2
57.03441	11.4
57.07076	1.8
58.02491	1.5
59.18919	1.4
59.42786	1.4
61.02919	2.6
67.05506	48.0
68.05846	1.4
68.93018	1.4
69.07069	15.9
70.15283	6.5
71.08611	1.9
73.02899	1.9
75.17490	1.5
79.05495	31.2
81.03437	2.6
81.07059	53.2
83.05000	2.9
83.08628	7.4
85.06531	3.6
91.05482	21.2
93.07050	38.6
95.04964	4.3
95.08607	38.6
97.02858	1.7
97.06533	2.8
97.10153	3.6
98.98464	1.6
99.08080	1.8
105.07033	14.5
107.04955	2.6
107.08598	24.7
109.06512	2.2
109.09579	1.6
109.10175	17.9
111.08047	2.0
113.00018	82.6
117.07020	6.1
119.08567	13.6
121.06557	1.5
121.10154	19.5
123.08105	2.4
123.11691	5.1
129.05428	2.0
129.06949	1.6
131.08543	10.8
133.10115	9.6
135.08131	1.6
135.11710	14.9
137.13231	1.9
144.79431	1.5
145.10139	10.1
147.08031	1.9
147.11703	5.8
149.02351	2.3
149.09610	2.3
149.13251	9.8
157.10101	2.0
159.11707	7.4
161.13219	7.5
163.14845	7.2
163.77795	1.3
169.01233	3.4
169.02617	45.9
173.13272	6.5
175.14763	2.5
177.12767	1.5
177.16307	2.3
187.03770	7.8
187.14854	3.2
199.06442	1.9
219.21213	1.7
233.22649	4.3
243.21086	21.6
251.09576	2.6
255.08928	3.5
261.22150	29.8
267.09076	2.4
267.93488	1.6
269.10577	6.5
270.10574	1.7
275.20093	2.3
285.10025	2.8
299.23785	1.5
317.24744	8.7
317.84274	1.5
335.25809	100.0
349.16824	5.3
365.16135	2.3
367.17947	8.5
384.28369	1.5
429.24112	2.8
447.26910	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
55.01865	4.3
55.05505	12.8
56.64097	2.7
56.96550	9.1
57.03433	11.2
59.05002	7.0
61.02914	10.8
67.05505	19.0
69.03421	18.4
69.07070	25.1
70.06588	6.2
70.58810	2.6
71.04998	5.6
71.56390	4.7
71.66902	2.6
73.02909	8.7
74.52463	3.0
79.05492	19.9
80.05779	2.7
81.02988	4.1
81.03423	61.3
81.07054	25.9
83.04987	21.5
83.08616	17.7
85.02905	29.3
86.09731	7.0
89.06038	5.0
91.03933	6.5
91.05465	26.3
93.07043	19.6
95.04962	17.9
95.08600	12.5
97.02902	21.8
97.06535	14.0
98.97585	11.1
99.04454	5.1
103.07600	8.2
105.07030	17.7
107.04943	5.8
107.08583	13.9
109.02886	9.0
109.06529	5.4
109.10133	3.8
111.04418	7.7
111.08094	11.0
112.99134	4.1
115.03986	3.9
115.07612	2.9
117.06983	4.0
119.08589	16.3
121.10113	9.0
123.04436	6.1
125.26199	3.0
127.03905	9.4
129.05510	6.2
129.06989	8.2
131.00169	4.8
131.08589	7.3
133.06482	2.9
133.08565	4.4
133.10143	10.9
137.06021	4.1
140.98663	2.9
143.00133	3.3
145.05011	4.9
145.10136	3.8
147.08099	3.6
147.11678	19.9
149.01253	7.0
149.09586	3.9
157.10141	13.8
158.99615	3.8
161.06013	3.4
163.11195	5.3
165.12735	7.4
175.11185	12.0
177.00636	3.4
193.12241	55.8
211.06279	3.1
211.13332	30.9
229.07332	6.8
241.07484	15.8
246.14906	6.4
259.08572	10.0
267.15991	27.1
271.08737	3.3
285.16986	100.0
293.05334	3.4
301.09589	8.4
324.11575	4.0
429.21027	10.1
430.27124	3.2
447.16422	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	447.2225
Annotation	Dendroside G
Peak:m/z	Relative Intensity
53.03938	5.3
55.01865	6.2
55.05303	1.5
55.05514	14.7
56.96566	5.5
57.03435	16.0
61.02693	1.6
61.02932	16.3
65.10537	1.9
67.05502	22.0
69.03432	18.8
69.07071	9.0
70.06593	4.8
70.58191	4.5
71.04989	6.2
72.08128	1.9
73.02905	6.8
79.05071	1.8
79.05494	20.5
81.03423	89.5
81.07063	23.4
83.04980	21.4
83.08627	23.0
84.08128	3.8
85.02908	33.4
85.06557	5.0
86.09717	2.0
87.04481	2.3
91.03973	9.2
91.05479	25.8
93.07035	13.8
95.04971	29.9
95.08627	11.1
97.02898	23.8
97.06529	11.3
97.10183	2.0
98.97572	7.5
99.04448	5.7
101.02386	3.6
105.07034	21.4
107.04932	7.5
107.08585	9.9
109.02876	6.6
109.06541	5.3
109.10149	3.0
111.04425	6.4
111.08092	11.8
115.03978	2.8
115.05407	2.0
116.98634	1.8
117.07001	2.3
119.04941	2.2
119.08583	16.2
120.08066	1.9
121.06487	2.8
121.10146	10.3
123.08082	2.5
123.11713	3.7
125.09654	2.6
127.03918	12.3
129.05478	4.9
129.07016	9.9
129.79991	1.7
131.00195	3.1
131.08595	11.8
133.06497	2.8
133.10130	11.2
133.37079	1.7
135.08034	2.3
135.11635	2.3
142.07751	3.5
145.04956	3.5
145.10107	4.6
147.04431	1.9
147.08014	3.0
147.11708	18.5
149.09605	6.7
156.14720	1.7
157.10117	13.5
158.99721	2.4
161.96201	2.1
163.03989	2.5
163.11162	4.0
163.14844	2.6
165.12741	5.8
171.06773	3.3
171.56990	2.1
175.11166	14.9
180.07240	1.8
181.15884	2.4
192.67506	2.0
193.12250	80.9
199.13365	3.0
205.58627	1.8
206.09001	2.2
211.13277	38.1
229.07512	2.0
229.14359	5.0
252.09303	11.0
252.59521	3.9
253.09952	2.6
254.08876	2.2
259.13306	2.8
267.09128	2.7
267.13336	3.3
267.15939	36.2
271.05948	2.2
285.16980	100.0
309.16843	3.5
349.23938	1.7
355.15552	1.8
393.18796	2.2
411.19879	2.5
429.21274	11.9
431.94070	1.9
447.16229	16.8
447.21658	4.0
447.29199	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	447.2225
Annotation	Dendroside G
Peak:m/z	Relative Intensity
50.29966	1.5
50.31145	1.5
53.03947	3.1
55.01884	3.3
55.05515	12.3
56.96567	1.3
57.03432	9.2
58.92467	1.6
61.02934	2.4
67.05502	13.9
68.60074	1.4
69.03441	8.4
69.07065	6.3
71.05004	2.9
73.02911	2.5
79.05487	14.0
81.03415	56.0
81.07048	17.3
83.04978	22.4
83.08626	17.1
84.08151	3.6
85.02901	15.4
91.05475	17.2
93.07037	9.6
95.04965	14.8
95.08616	5.0
97.02900	10.7
97.06526	5.3
97.10177	1.6
98.21570	2.6
99.04474	2.9
105.07021	12.1
107.04974	3.1
107.08573	6.7
109.02870	3.3
109.06525	3.4
109.10157	2.5
111.04438	5.4
111.08052	8.9
113.05939	2.5
117.07027	2.2
119.04912	1.6
119.08592	12.7
121.10112	7.0
123.08063	1.5
123.11668	3.1
127.03921	5.2
129.05476	5.5
129.07002	6.9
131.08595	8.6
133.06491	2.1
133.10130	5.0
135.11638	2.1
137.05960	2.8
142.07774	1.7
145.06578	1.6
145.10109	2.5
147.08028	3.5
147.11687	15.6
149.09598	4.6
157.10155	8.3
163.11229	3.3
165.12737	2.7
175.11188	13.7
184.07426	2.3
193.12233	52.0
211.13295	30.2
212.10750	1.7
227.12865	2.5
229.14403	7.0
265.05014	1.4
267.15912	19.0
285.16971	100.0
411.20374	2.0
412.25266	1.7
429.21170	6.0
430.26590	2.4
447.29135	8.2
453.47861	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01865	3.8
55.05515	15.1
56.96558	4.2
57.03442	10.2
61.02915	3.1
67.05233	1.6
67.05509	18.1
69.03434	13.0
69.07067	11.2
70.46748	3.7
70.47147	3.0
71.04980	4.6
71.08603	1.9
73.02902	3.8
79.05499	18.3
81.03416	60.6
81.06652	1.9
81.07060	22.5
83.04986	20.0
83.08616	18.6
84.08142	2.2
85.02895	16.2
85.06536	2.0
86.09696	4.6
91.05474	19.1
93.07040	14.9
94.89153	1.4
95.04971	18.9
95.08629	8.5
97.02891	12.1
97.06521	9.0
97.10154	3.7
98.21543	2.0
98.97572	5.2
99.04462	2.0
105.07038	14.9
107.04960	5.8
107.08588	6.9
109.02872	4.4
109.06507	5.9
109.10123	6.9
111.04429	6.6
111.08115	9.1
117.06985	2.4
119.08562	13.8
120.08076	1.4
121.06498	2.0
121.10139	9.6
123.08070	3.3
123.11668	2.1
124.99969	2.1
125.09609	2.7
127.03908	4.7
129.05489	7.4
129.06996	7.1
131.00183	2.7
131.08572	6.7
133.06448	1.7
133.10118	7.9
135.08105	2.2
135.11685	3.1
136.69595	1.4
137.05952	4.1
145.10103	4.5
147.07988	2.2
147.11676	14.4
149.01233	2.8
149.02316	2.7
149.09602	4.5
151.11171	2.0
153.12677	1.8
157.10130	10.4
159.11629	2.0
161.09647	1.7
163.11205	2.1
165.12720	3.2
175.11107	9.7
181.12177	2.4
182.98964	1.5
184.07333	11.5
193.12236	54.1
211.13261	26.9
224.08080	4.8
227.12668	3.7
229.14378	5.7
243.09027	1.6
267.15927	20.4
285.16974	100.0
292.12445	6.4
305.10638	7.2
305.60587	1.7
314.55957	1.6
412.25613	2.5
429.21280	8.2
429.26654	2.0
447.28720	12.2
473.44745	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2224
Annotation	Dendroside G
Peak:m/z	Relative Intensity
50.46177	1.6
53.03939	4.6
53.68710	1.8
54.38173	1.8
55.01865	3.6
55.05509	13.1
56.96559	2.7
57.03442	11.6
61.02929	2.9
67.05501	13.2
69.03416	8.4
69.07053	7.1
70.73804	5.6
71.04994	5.7
79.05070	1.7
79.05486	11.5
81.03416	64.4
81.07053	12.6
83.04989	20.5
83.08624	17.8
83.73880	1.7
85.02898	20.6
87.31451	1.7
91.05476	17.6
93.07042	14.0
95.04960	18.3
95.08594	6.0
97.02898	16.0
97.06502	6.9
97.10167	3.9
97.26256	1.9
98.97545	2.8
104.27776	1.9
105.05408	2.1
105.07019	11.5
107.04941	4.2
107.08579	5.5
109.02908	4.3
109.06506	3.9
109.10076	2.5
111.04417	5.6
111.08068	8.4
118.05515	1.9
119.08592	12.4
121.10134	6.3
123.11694	2.1
127.03904	3.6
129.05466	8.0
129.06967	5.7
131.08553	7.5
133.06461	1.9
133.10103	7.4
137.05969	2.6
145.10063	2.9
147.11708	11.8
149.01205	3.2
149.09604	5.2
157.10100	7.3
165.12769	4.9
175.11198	12.4
181.12263	3.1
183.32726	2.3
184.07350	5.0
193.12250	53.1
211.13290	41.1
224.08112	2.7
225.41583	2.1
227.12700	3.5
229.07407	2.0
229.14250	3.5
233.69243	2.1
267.15961	16.0
283.15408	2.9
284.13678	2.7
285.16959	100.0
292.12521	7.2
292.62576	4.6
305.10745	6.0
345.78690	2.0
355.17416	2.3
403.26675	3.3
406.71686	2.5
427.02298	2.0
429.21259	22.9
447.21664	3.4
447.28650	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	447.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.9
55.01869	2.4
55.05510	9.4
57.03438	7.3
65.03931	1.5
67.05501	8.1
69.03437	7.2
69.07056	3.9
69.67484	4.7
71.04998	2.5
72.56505	1.1
73.02930	1.9
79.05483	9.8
81.03419	50.5
81.07056	11.0
82.58083	1.4
83.04980	18.6
83.08617	11.9
85.02908	11.9
91.05479	10.5
93.07040	6.8
95.04972	14.2
95.08603	5.1
97.02895	10.2
97.06515	2.8
97.10170	2.3
99.04443	3.2
105.07040	8.5
107.04971	3.7
107.08604	6.4
109.02870	3.3
109.06525	3.3
109.10159	2.5
111.04466	6.1
111.08098	7.9
113.05973	1.4
117.07046	1.1
119.08584	10.1
121.10146	4.7
123.08109	2.5
127.03917	4.3
129.05472	7.8
129.07001	3.2
131.08568	4.2
133.06471	2.0
133.10123	4.3
135.11630	1.1
137.58138	1.2
141.33826	1.2
147.08041	1.8
147.11684	10.4
149.09583	3.3
153.12788	1.7
157.10132	9.6
163.11238	1.9
165.12781	4.8
173.00912	1.1
175.11160	12.0
183.89714	1.2
184.07269	2.0
191.10669	1.4
193.12241	44.3
211.13301	27.8
227.12939	1.6
229.14226	5.9
267.15945	20.7
283.15442	1.7
285.16959	100.0
293.05377	1.2
311.54034	1.3
363.17761	1.4
365.22916	2.1
393.19040	2.0
429.20941	7.8
447.21368	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	0.9
57.03430	0.6
69.03434	1.4
70.06600	2.9
71.56196	0.6
72.08153	1.2
79.05499	0.6
80.26700	0.5
80.42651	0.4
81.03412	0.8
81.07063	0.8
84.08126	0.8
85.02914	2.3
86.09704	2.0
91.05463	0.5
93.07055	0.8
95.08617	0.6
97.02871	1.2
97.06546	0.6
97.37500	0.5
98.97592	1.8
103.05488	0.5
104.38210	0.5
105.07014	0.5
107.08595	0.6
116.98605	0.7
122.05999	0.5
127.03946	1.1
127.72630	0.4
135.07994	0.5
137.05977	1.0
147.04417	0.8
149.02406	0.9
149.06027	1.3
163.11290	0.6
167.06999	0.7
169.05283	0.6
175.07605	0.6
177.05447	1.3
181.08568	0.5
199.09563	0.6
217.07384	0.5
219.01753	0.7
225.09564	0.5
237.02895	0.6
254.16071	0.6
275.07251	0.9
285.09668	0.6
315.14133	4.9
321.14868	0.8
335.09479	2.7
387.13251	0.8
412.17624	0.9
429.20392	2.3
447.18427	100.0
448.19058	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36586	0.7
56.96563	1.2
57.46885	0.7
69.03417	7.4
70.28873	2.0
85.02869	1.3
86.06065	18.4
87.04471	54.7
97.02891	0.9
98.97573	5.1
100.97989	0.8
101.00936	1.0
104.07107	100.0
110.97570	1.4
114.96819	1.0
116.98624	0.9
118.00219	0.8
128.98601	1.8
130.00328	1.1
136.00261	1.2
139.00792	1.5
145.00780	2.6
151.00816	2.2
152.05640	0.8
155.01927	1.1
160.01276	2.0
161.03001	0.9
166.01331	1.6
169.01874	1.3
170.99632	1.8
172.01381	1.3
173.03036	1.5
175.01810	0.9
181.01875	4.0
185.03017	1.0
187.01814	1.0
190.02365	1.2
193.55261	1.5
196.02357	1.7
201.00845	1.4
211.02824	3.8
232.03384	6.8
232.53604	1.6
247.04182	1.0
262.04324	1.1
263.03409	1.5
266.03394	2.3
274.58014	1.2
275.05978	1.2
292.05508	1.4
446.07550	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	446.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22698	2.7
55.05513	16.9
57.62001	2.6
61.02911	3.8
64.30270	2.6
65.03942	3.0
67.05508	98.2
69.03436	3.8
69.07069	19.6
70.95281	7.3
79.05484	24.8
81.06594	5.1
81.07062	100.0
83.04944	4.5
83.08607	10.2
85.06516	3.1
91.05482	9.9
93.07052	22.3
95.04974	3.6
95.08614	85.7
97.10182	4.1
105.07046	14.1
107.08585	13.6
109.06499	5.2
109.10158	32.5
110.09727	3.5
111.08051	3.6
113.00003	5.8
117.06979	5.1
119.08569	5.8
121.10180	14.8
123.11723	23.8
131.08562	8.1
133.10144	5.6
135.11679	7.8
137.09596	3.1
137.13239	12.1
139.11234	4.0
145.10109	7.0
147.11679	5.1
149.09589	4.1
149.13225	6.8
151.14796	4.5
159.11710	8.7
163.14803	3.0
173.13246	12.4
174.02934	3.4
179.14287	3.4
182.87683	2.8
183.13881	3.6
187.14836	4.5
205.15807	3.4
208.78056	3.6
209.15376	4.6
218.29213	2.7
221.23834	3.0
237.18451	3.7
243.21048	15.7
252.04285	2.9
259.20392	2.9
261.22089	14.6
269.10590	3.3
293.24750	49.0
335.25714	6.9
349.16922	9.5
446.24741	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	447.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
56.96568	1.8
57.03420	0.6
66.87299	0.5
69.03423	1.4
70.06584	2.2
71.56059	0.6
72.08155	1.8
73.02914	0.6
75.01756	0.5
79.05493	0.9
81.03432	1.0
81.07042	0.6
84.04509	0.7
84.08186	1.3
85.02901	2.8
86.09704	2.7
89.56464	0.5
93.07003	1.1
97.02895	1.4
97.06542	0.8
98.97588	4.1
105.07024	0.7
107.08571	0.7
110.97583	0.5
116.98638	1.6
119.08587	1.4
121.06566	1.1
127.03962	0.8
128.98608	0.8
137.06003	1.2
144.08087	0.6
144.17809	0.5
147.04469	0.7
148.71193	0.5
149.05984	1.3
158.99693	0.8
163.11156	0.8
167.06978	0.6
169.03494	0.5
170.26793	0.6
173.06100	0.5
177.00777	0.9
199.09474	1.2
219.01869	1.0
222.56711	0.6
226.05972	0.6
237.02896	1.5
242.30902	0.5
267.08878	1.0
267.11465	0.7
285.12405	0.8
293.15402	0.6
295.07974	1.3
315.14151	4.4
335.09390	3.0
361.02820	0.6
361.14780	0.9
365.05579	0.5
369.12149	0.9
387.13535	2.1
403.15897	2.1
412.17462	2.7
419.17627	0.6
429.15067	0.9
429.20126	3.4
430.18866	0.7
447.18463	100.0
448.18958	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56581	8.7
55.05513	21.7
57.07084	61.5
59.06125	22.3
67.05502	12.0
69.07060	43.1
69.52905	22.9
69.53323	51.4
70.26176	8.9
71.08620	42.2
79.05502	11.7
81.07059	25.4
83.01356	17.5
83.08624	34.4
85.07662	12.0
85.10189	14.8
87.48565	9.7
91.05490	12.4
93.07055	12.3
95.08614	14.3
97.10178	25.4
98.21513	10.2
105.07037	15.5
107.08626	13.7
109.06501	56.7
109.10195	14.2
111.11727	16.3
119.08643	17.3
123.08113	17.2
131.08623	12.2
133.10155	13.4
135.08028	14.2
137.05984	100.0
139.07541	12.9
147.11771	11.7
151.07584	23.6
153.09114	10.3
157.10217	8.9
165.09108	28.3
175.11145	18.8
177.09033	15.8
179.10652	15.6
193.12260	20.5
207.13675	14.7
221.15471	13.3
231.36948	9.4
263.20044	17.7
385.34634	35.1
392.19928	9.2
399.36206	37.0
403.35632	32.9
417.37161	36.7
427.35181	11.3
445.36520	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	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42708	2.8
55.01865	8.2
55.05516	35.2
57.06829	3.4
57.07082	41.5
66.41901	3.0
67.05507	21.1
69.07070	74.8
69.52939	6.1
69.53345	16.4
70.35636	2.8
71.08639	22.0
71.40570	3.0
79.05479	13.1
81.07060	58.1
83.01376	3.1
83.04981	4.4
83.08619	49.1
83.84972	3.1
85.06557	3.8
85.10169	12.4
87.39817	3.1
91.05477	12.6
93.07050	33.8
95.08607	49.1
97.06539	10.6
97.10167	33.5
104.65257	3.2
105.07072	6.6
107.08587	29.0
109.06541	7.4
109.10164	27.1
111.08072	10.6
111.11721	20.7
119.08588	4.5
121.06535	6.8
121.10181	15.7
123.08066	9.0
123.11694	11.0
124.05228	6.4
125.13274	11.4
127.96550	3.3
135.08110	3.0
135.11731	13.8
137.05974	16.7
137.09662	3.7
137.13181	4.6
138.03923	3.0
139.07539	100.0
139.11124	3.0
139.14888	3.5
149.09564	4.0
149.13277	13.0
151.07559	11.1
159.11745	3.3
159.38512	3.3
161.72984	2.8
163.14825	14.1
165.05493	16.2
165.09135	21.1
167.14375	3.2
172.31670	3.0
175.11235	3.9
177.16393	7.1
189.12759	4.7
193.08574	15.7
201.85651	3.1
203.10683	8.5
205.19498	3.9
217.12238	8.4
221.11679	4.2
231.13928	4.7
235.13344	3.8
256.61206	3.4
281.88943	2.9
289.28891	17.0
307.30054	22.1
413.04117	3.0
417.37143	12.4
427.35840	12.4
445.36819	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3676
Annotation	Topsentisterol C4
Peak:m/z	Relative Intensity
53.03934	3.0
55.05515	22.7
57.03398	2.2
57.07079	27.4
67.05510	26.9
69.03413	2.7
69.07071	51.9
69.39577	10.1
69.40001	7.1
71.01333	3.9
71.04984	3.8
71.08636	25.8
79.05496	19.6
79.13979	2.1
81.07058	70.1
83.05001	2.8
83.08614	26.5
84.68337	1.9
85.06535	3.0
85.10173	16.8
89.02379	2.4
91.05463	19.0
93.07040	46.0
95.04974	3.9
95.08612	82.6
97.06556	2.4
97.10171	19.7
99.04408	2.4
105.07032	44.0
107.08604	55.4
109.06510	6.9
109.10163	47.6
111.08088	3.6
111.11710	9.4
117.07022	8.9
119.08590	39.6
121.10144	40.8
123.08073	3.2
123.11713	20.3
125.13246	3.4
129.05502	2.8
129.06950	4.1
131.08591	30.6
133.10141	38.5
135.08067	4.6
135.11676	24.2
137.13240	8.5
139.07553	5.1
143.08568	9.7
145.10114	34.4
147.10532	3.3
147.11676	38.1
149.06006	2.6
149.09602	4.4
149.13258	23.0
151.14836	4.7
155.07095	11.1
155.08321	2.2
157.10158	9.5
159.11674	30.1
161.09601	2.9
161.13257	19.4
162.67847	2.2
163.11125	3.8
163.14856	13.7
165.09126	16.6
169.08600	2.9
169.10104	4.4
171.11697	10.1
173.09668	3.1
173.13226	11.4
175.14815	13.2
177.09120	8.4
177.16376	3.6
179.10710	6.0
183.11761	2.4
185.13319	9.3
187.14821	13.5
189.16403	14.9
191.10635	15.8
191.17981	4.1
193.12312	4.9
193.19434	2.5
196.07945	2.3
199.14838	8.6
201.16417	8.0
203.17950	12.5
205.12238	5.2
207.13748	3.6
209.11681	2.9
213.16412	4.4
215.17973	3.6
217.19534	3.5
219.13789	5.5
219.21103	4.5
221.18895	2.7
221.22592	3.6
227.14352	2.7
227.17970	7.0
231.13762	3.9
233.15366	6.8
233.22713	5.0
243.21240	2.6
245.15443	6.7
247.24277	7.3
251.16389	4.3
259.16901	3.6
261.25891	8.6
263.16464	5.0
269.19183	2.5
273.18600	7.2
273.25900	3.1
287.20129	12.1
291.19922	2.6
301.21848	3.5
305.21255	5.4
329.24680	2.3
341.32132	10.9
343.33609	29.3
359.62817	2.1
367.33737	4.8
385.34909	6.5
401.37921	2.3
409.34793	10.0
427.35709	61.8
445.36838	100.0
446.36993	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	445.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.3
53.42699	3.0
55.01868	24.6
55.05273	4.4
55.05513	73.7
57.03432	5.2
57.41803	3.7
62.57109	4.1
65.03941	4.3
67.05505	100.0
69.03427	14.2
69.07071	55.1
70.51899	7.7
71.04973	4.4
71.40341	3.6
72.24418	3.0
72.79334	3.4
79.05062	5.5
79.05488	65.2
81.03407	7.8
81.07059	67.3
83.04985	5.6
83.08621	35.2
85.99881	3.3
86.85457	2.9
91.05479	65.1
93.07047	61.2
95.04964	12.2
95.08607	55.0
97.06526	23.4
97.10172	52.7
98.97593	4.0
99.08099	4.1
105.07036	56.0
107.04964	6.6
107.08591	46.2
109.06505	7.5
109.10157	29.0
109.80938	3.5
111.08077	5.6
115.05392	3.6
117.07021	36.8
117.82840	3.2
119.08586	43.9
121.06454	5.9
121.10156	24.9
121.24867	3.1
123.08046	6.1
123.11733	5.5
125.09621	52.4
128.06198	7.2
129.07018	25.6
131.08562	44.8
131.22681	3.2
133.06508	13.4
133.10136	36.6
135.08035	15.6
135.11671	12.4
137.09619	7.3
141.06969	7.3
142.07748	5.2
143.08543	23.9
145.06508	6.5
145.10133	29.8
147.08034	7.1
147.11668	30.6
149.09628	7.4
153.09073	6.4
155.08517	15.6
157.10147	25.1
159.08115	3.8
159.11668	26.9
161.09612	5.6
161.13234	14.3
163.11156	8.5
169.10167	8.0
171.11717	18.8
173.11845	4.1
173.13246	15.0
175.11188	16.4
177.12775	4.9
180.65559	3.2
183.11685	10.3
185.13257	13.9
187.11154	5.3
187.14854	8.0
189.12790	4.5
189.29805	3.4
191.10628	4.4
197.13179	5.8
199.14850	6.4
203.12746	29.6
203.14354	5.4
209.13206	4.3
213.12772	3.8
227.17900	37.5
239.17924	4.8
245.18993	19.2
251.37645	3.3
275.20047	7.6
283.20541	4.4
287.20090	4.3
289.21536	6.2
301.21680	4.5
315.23102	9.0
317.24826	4.5
331.22418	4.2
333.24228	6.6
340.71561	3.4
377.28311	5.8
395.29477	13.6
409.31073	4.4
413.30704	17.4
427.32043	24.3
435.77292	3.5
445.25519	11.2
445.32831	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	445.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19230	3.9
53.03937	5.3
55.01874	22.4
55.05513	69.9
57.03433	9.5
63.42920	3.9
65.03932	6.9
67.05510	100.0
68.01780	4.0
69.03440	16.3
69.07072	53.1
71.04987	6.8
71.56577	5.6
71.72369	4.9
73.02898	4.8
79.05498	73.5
81.03423	7.5
81.07061	69.6
83.04958	10.7
83.08629	28.1
91.05473	56.2
93.07053	56.5
95.04985	14.3
95.08620	65.6
97.06518	29.8
97.10179	35.5
97.83436	3.8
98.15257	3.4
99.08124	4.1
99.33133	4.1
105.07037	62.4
107.04966	8.9
107.08611	43.1
109.06525	10.8
109.10157	34.8
111.08077	7.8
117.07018	36.0
119.04921	4.2
119.08576	43.9
120.98664	4.6
121.06488	7.7
121.10141	23.8
123.08047	5.1
123.11713	11.1
125.09642	36.5
129.07039	16.3
130.07835	5.1
131.08565	46.3
131.82138	4.1
133.06508	12.1
133.10158	32.4
135.08063	16.8
135.11685	15.6
137.06029	4.3
137.09627	11.5
139.11224	5.8
141.06984	11.4
142.07872	4.0
143.08553	26.3
145.06436	5.4
145.10146	31.9
147.08029	7.3
147.11705	24.4
149.09622	12.7
149.13246	7.1
153.09081	8.0
155.08536	12.0
157.10127	26.2
159.08089	8.9
159.11681	30.0
161.13271	11.4
163.11172	8.8
167.08540	7.3
169.10143	12.0
171.11664	20.4
172.27338	4.1
173.09732	7.5
173.13286	16.5
175.11211	14.3
175.14847	5.6
177.12718	5.1
183.11729	9.1
184.07451	9.4
185.09622	4.4
185.13245	15.2
187.11156	6.1
187.14877	8.7
197.13333	7.9
199.14832	5.1
203.12779	18.5
211.14899	7.4
227.17973	22.1
245.18979	17.0
269.18982	5.1
275.20175	5.3
283.20358	5.8
301.21600	8.8
315.23083	10.3
327.15213	4.3
327.19427	8.6
331.22665	4.7
333.24390	4.4
347.20911	8.2
349.23904	4.6
363.19342	8.6
377.28333	6.9
395.29404	17.5
399.32635	4.5
413.30374	14.1
427.16312	9.7
427.32144	20.0
445.21622	48.5
445.33728	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	445.235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01866	3.2
55.05509	10.7
56.96572	1.3
57.03440	11.9
57.07058	1.8
60.17595	0.9
61.02895	1.3
65.03937	1.5
67.05171	2.1
67.05502	20.4
67.81094	1.0
69.03407	3.5
69.07071	8.1
69.76980	2.6
69.77388	4.6
70.55050	1.0
71.04975	3.2
73.02903	1.3
76.18307	1.0
79.05061	1.7
79.05492	21.7
79.46191	1.0
81.03413	4.2
81.07053	22.4
83.04989	2.9
83.08609	3.3
85.02894	1.4
85.06538	2.1
91.05475	25.3
93.07046	29.6
95.04955	3.2
95.08608	21.0
97.02873	3.1
97.06533	2.7
97.10130	1.4
99.08039	1.1
103.03930	2.7
105.07030	28.9
107.08591	19.0
109.02827	1.5
109.10184	6.5
113.00018	74.6
117.07035	8.4
119.08582	30.1
121.10139	13.6
123.08045	2.1
123.11688	2.4
125.09639	1.5
127.03881	2.0
129.04649	1.3
129.05475	5.3
129.06961	6.3
131.08566	13.1
133.10123	20.8
135.08018	1.4
135.11687	12.7
137.09604	1.7
143.08577	6.7
145.10117	13.5
147.10654	1.8
147.11708	20.6
149.06009	1.2
149.13281	7.5
153.83063	1.1
155.07076	3.1
157.10146	5.1
159.11688	11.5
161.09604	2.0
161.13257	22.1
163.11102	1.9
163.14842	6.4
169.02597	9.1
171.11673	8.5
173.04535	1.2
173.13278	9.3
175.14873	14.0
185.13234	10.2
187.03696	14.1
187.14804	2.6
188.31985	1.2
189.12769	2.2
199.14803	4.0
207.13800	1.1
209.11667	1.8
213.16345	1.8
215.17914	4.9
217.19495	8.3
227.12799	1.6
231.21054	3.3
241.19504	39.7
243.21074	3.2
259.20575	36.6
277.21652	2.0
315.23145	4.4
333.24237	100.0
334.24475	1.8
391.38461	1.4
427.22446	2.2
428.24960	2.2
433.97784	1.2
445.20081	2.0
445.25748	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	445.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01870	3.8
55.05519	7.9
56.96553	1.5
57.03438	8.7
57.07080	2.1
59.06109	0.9
61.02910	1.4
67.05173	1.4
67.05507	18.5
69.03429	12.9
69.07062	5.7
71.01357	1.3
71.04992	3.2
71.08662	0.8
71.57013	0.8
72.51746	0.9
73.02920	1.9
73.04694	0.8
75.04482	1.2
79.05062	1.7
79.05492	21.1
81.03417	12.6
81.07061	23.1
83.01360	1.3
83.04989	6.9
83.08622	4.6
85.02901	5.9
85.06551	1.9
86.09724	1.0
87.04471	1.3
91.03940	1.0
91.05473	23.0
93.07043	24.8
95.04985	4.2
95.08608	15.8
97.02903	12.1
97.06505	4.4
97.10167	3.5
99.04457	3.0
103.03928	1.6
103.05491	1.0
105.07033	24.9
107.04958	4.0
107.08595	16.5
109.02889	3.6
109.06558	1.8
109.10171	7.9
111.04449	2.3
111.08098	1.8
113.00019	100.0
117.07015	8.0
119.08581	25.8
121.06510	1.6
121.10147	10.6
123.08111	1.5
123.11672	0.8
125.00053	1.0
125.09644	4.0
127.03933	6.7
129.05484	3.1
129.07022	5.1
130.07837	1.0
131.08575	13.5
133.06445	1.0
133.10129	18.8
135.08044	1.1
135.11694	9.2
137.05988	1.9
143.08571	5.0
145.10120	12.6
147.08051	1.5
147.11687	16.1
149.06081	0.9
149.09601	1.4
149.13258	4.7
153.12766	3.9
155.07173	1.2
155.08543	1.6
157.10103	6.1
159.11711	9.5
161.09592	1.4
161.13258	17.2
163.11203	8.3
163.14813	2.8
165.12791	1.2
167.05423	0.9
169.02602	23.4
170.40796	0.8
171.11711	7.6
173.04448	2.5
173.09607	1.4
173.13252	7.9
175.11145	1.1
175.14819	13.1
177.12851	1.2
181.12262	2.9
183.06592	1.8
184.07391	2.1
185.13284	7.0
187.03687	14.5
187.14835	3.2
189.12733	1.9
189.16423	1.0
191.10741	2.4
194.49809	0.9
199.14807	4.8
209.11717	9.4
215.17964	4.0
217.19522	3.5
225.11253	0.8
226.82297	1.0
227.12759	10.4
229.14485	1.6
231.21005	4.7
241.19516	32.6
243.21159	1.1
257.18842	1.0
259.20569	39.8
269.10538	1.2
275.20209	1.1
283.15399	3.8
301.16476	2.5
315.23242	4.5
333.24234	45.7
349.11752	1.0
349.16638	1.4
363.21317	1.2
371.16483	1.1
427.22696	8.3
428.25055	1.4
445.20688	20.9
445.27856	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	445.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.9
55.01878	12.2
55.05514	25.4
56.96556	2.4
57.03441	25.2
59.04992	2.3
60.94377	1.7
61.02922	4.0
65.03925	2.6
67.05507	39.5
69.03432	60.5
69.07076	9.8
71.01340	6.1
71.04994	10.0
71.08626	6.3
71.56860	2.2
73.02901	7.4
73.04790	1.5
79.05065	2.3
79.05496	32.7
79.36246	1.6
81.03420	59.4
81.07062	31.5
83.01343	4.0
83.04985	21.0
83.08617	11.0
85.02910	24.8
85.06530	4.7
87.04469	3.4
91.05476	27.7
92.05809	2.6
93.07054	30.3
95.04978	13.0
95.08606	19.2
97.02895	58.9
97.06547	8.7
97.10175	12.3
98.97552	1.9
99.04449	11.8
99.08094	8.6
101.02370	5.6
103.03920	3.9
105.07033	14.9
107.04954	14.7
107.08604	24.5
109.02878	16.0
109.06500	5.6
109.10152	15.4
111.04454	14.8
111.08093	5.5
113.00017	53.6
117.06988	7.2
119.08588	17.5
121.06485	5.8
121.10141	14.8
123.04433	6.1
123.08078	5.9
124.83710	1.6
125.05991	2.4
125.09632	17.1
127.03916	31.7
129.05479	5.0
129.06999	6.1
131.08566	8.8
133.06458	3.4
133.10127	9.7
135.04414	8.2
135.08035	2.8
135.11685	23.6
136.04729	3.4
137.05984	12.1
137.09625	3.1
138.06300	3.2
143.08540	2.9
143.10655	2.9
145.04987	2.6
145.06493	2.3
145.10117	20.2
147.04353	3.0
147.08038	6.2
147.11681	5.9
149.06041	3.1
149.09607	3.1
151.11148	6.2
153.09094	4.5
153.12730	21.0
155.08502	1.8
157.10080	2.6
159.08092	2.2
159.11707	2.1
161.09540	2.6
161.13263	5.4
163.11185	33.5
169.02631	45.4
171.11780	3.1
173.04475	18.7
173.09637	6.7
173.11771	3.3
175.14847	3.6
179.14331	4.4
181.12222	13.5
183.06529	4.4
183.10332	2.0
185.13339	2.4
188.92923	2.0
189.11194	3.3
191.10677	13.4
201.07408	2.0
201.09166	1.7
208.94849	1.9
209.11728	42.2
223.13376	2.0
224.08115	2.3
227.12785	45.5
229.14342	9.1
231.21165	2.7
241.19487	6.4
245.13931	2.4
257.13791	4.9
259.20575	11.8
265.14569	2.7
271.12839	1.9
277.21606	14.2
283.15326	11.9
301.16577	10.3
321.10956	3.0
329.15970	2.1
333.24316	5.9
353.15863	5.1
358.17215	8.8
401.17950	2.1
409.18610	3.4
410.23898	3.1
427.19562	6.3
428.25171	21.0
445.20602	100.0
445.26343	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	445.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
54.33927	0.7
55.01861	2.6
55.05515	4.5
56.96574	1.4
57.03441	5.5
57.07046	0.8
61.02925	15.7
67.05506	7.8
69.03426	6.5
69.07072	4.2
70.06582	1.2
70.29249	0.8
70.63788	2.1
71.01347	0.9
71.04987	3.6
73.02917	8.2
74.09740	0.7
79.05498	14.8
81.02990	0.8
81.03430	8.7
81.07056	10.2
83.04971	2.9
83.08595	5.0
85.02431	1.3
85.02908	17.2
85.06531	1.1
86.09695	2.5
87.04482	1.0
91.03961	7.1
91.05463	5.6
93.06480	1.4
93.07043	21.4
95.04959	4.8
95.08609	19.9
97.02897	14.1
97.06522	4.9
98.97593	2.3
99.04446	4.9
101.02380	3.3
103.03960	1.3
105.07029	5.0
107.04967	6.0
107.08598	16.1
109.02860	3.9
109.06511	1.9
109.10169	2.3
111.04407	1.0
111.08061	1.1
112.44254	0.7
115.03947	1.2
115.05419	0.8
117.07028	4.3
119.08577	6.8
121.06510	3.7
121.10137	9.2
121.95061	0.7
122.55791	0.7
125.05984	2.7
127.03928	6.2
131.00194	0.9
131.08537	0.8
133.10124	2.0
135.08044	1.1
135.11694	29.1
137.05971	1.1
139.07532	0.7
145.04970	2.2
145.10129	17.3
147.11655	0.7
149.01253	1.1
151.79384	0.7
153.12732	1.1
159.06590	0.9
163.03824	0.9
163.11183	36.9
165.05481	1.0
171.06630	1.1
173.20593	0.8
181.12242	8.0
183.06538	2.6
191.02299	0.7
201.07588	1.1
203.14308	0.6
209.11679	1.8
227.12785	100.0
228.13019	0.7
229.67169	0.8
229.69521	0.9
249.11113	0.9
251.08694	4.0
251.58725	2.8
252.09296	3.0
265.92545	0.9
283.15405	30.1
283.18552	1.7
311.14966	2.7
316.87158	0.9
325.16501	3.0
341.16199	1.4
359.02701	0.9
359.13904	0.8
391.17554	2.0
427.19333	3.7
445.20334	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	445.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05533	0.3
59.70972	0.3
67.05502	0.5
69.07056	0.7
71.04993	0.5
71.10329	0.5
74.46173	0.2
80.17624	0.2
81.03410	0.3
81.07065	0.5
85.02905	0.5
85.06512	0.3
91.05484	0.3
97.02862	0.3
105.58976	0.2
119.08503	0.2
133.10114	0.4
143.02007	0.3
155.01904	0.4
157.03369	0.2
164.52237	0.2
173.02943	0.6
187.13335	0.5
196.29120	0.3
201.03688	1.1
201.09698	0.2
257.17435	0.6
313.16141	0.6
313.99915	0.2
333.07907	14.3
335.09576	0.9
445.20425	100.0
446.20840	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01870	3.4
55.05509	5.4
56.96559	1.1
57.03436	4.6
61.02929	15.2
65.03941	0.8
67.05506	8.7
69.03429	8.2
69.07064	4.5
70.06577	1.0
71.01359	1.3
71.04996	3.0
71.56551	1.1
73.02921	7.1
73.04775	1.0
79.05494	13.1
81.03419	7.7
81.07062	10.3
83.04965	2.9
83.08624	4.2
85.02421	1.1
85.02907	13.8
86.09692	2.1
87.04463	0.9
91.03967	8.0
91.05416	3.6
93.07047	18.1
95.04980	4.4
95.08610	19.9
95.13940	0.6
97.02897	13.9
97.06534	3.9
98.97581	1.9
99.04459	5.6
101.02372	2.3
103.03946	1.9
103.05450	0.8
105.07040	5.0
107.04930	4.6
107.08599	14.6
109.02869	3.9
109.06512	1.3
109.10139	1.7
111.04430	1.2
115.03915	0.9
117.07027	4.6
119.08575	5.6
121.06525	4.1
121.10145	7.8
125.05993	2.2
127.03913	7.0
127.07516	0.7
129.06943	0.8
130.07727	0.8
131.00194	0.7
131.08586	1.1
133.10133	2.7
135.08099	1.2
135.11691	27.8
137.05952	0.8
139.07492	0.8
143.08560	1.1
145.04939	1.6
145.09048	1.3
145.10130	16.4
149.01312	0.9
153.12675	0.7
153.35332	0.8
163.03789	0.8
163.11186	35.3
171.06526	1.5
173.09598	0.7
177.00615	0.8
181.12245	7.3
183.06512	2.8
189.36252	0.6
191.10417	0.7
196.27158	0.6
201.07613	3.0
209.11780	1.7
227.12788	100.0
228.13083	1.0
251.08604	3.2
251.58745	1.5
252.09209	1.6
283.15402	29.7
311.14929	2.4
325.16476	3.2
341.15924	0.8
359.02859	1.3
391.17700	1.5
409.18597	1.0
419.53412	0.7
427.19559	4.4
445.20285	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	445.2044
Annotation	3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE
Peak:m/z	Relative Intensity
55.05533	0.3
59.70972	0.3
67.05502	0.5
69.07056	0.7
71.04993	0.5
71.10329	0.5
74.46173	0.2
80.17624	0.2
81.03410	0.3
81.07065	0.5
85.02905	0.5
85.06512	0.3
91.05484	0.3
97.02862	0.3
105.58976	0.2
119.08503	0.2
133.10114	0.4
143.02007	0.3
155.01904	0.4
157.03369	0.2
164.52237	0.2
173.02943	0.6
187.13335	0.5
196.29120	0.3
201.03688	1.1
201.09698	0.2
257.17435	0.6
313.16141	0.6
313.99915	0.2
333.07907	14.3
335.09576	0.9
445.20425	100.0
446.20840	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81354	3.0
53.03944	8.7
53.56375	3.2
55.05506	21.9
60.02053	3.1
63.20845	2.9
64.18251	2.7
67.05509	33.8
69.07075	18.3
70.21997	5.8
70.22402	10.7
77.03922	3.8
79.05489	73.4
81.07061	45.6
83.08613	6.8
83.99472	3.5
85.06553	5.2
91.05473	31.4
93.07041	89.9
95.04971	3.8
95.08602	31.3
97.06528	6.2
97.10245	2.9
105.07046	17.8
106.69685	3.9
107.08595	57.6
109.10153	13.9
117.07023	6.9
119.08584	17.8
121.10152	52.4
123.08056	3.4
123.11744	4.4
131.08603	6.5
132.66257	3.0
133.10118	20.0
135.08098	4.5
135.11693	58.0
137.09604	3.2
145.10149	9.1
147.11653	13.4
149.09622	5.3
149.13251	32.3
153.12776	3.6
157.10150	5.6
159.11703	6.6
160.80115	3.2
161.13232	9.8
163.11172	4.6
163.14816	8.3
171.11731	4.9
175.14778	7.2
184.07320	3.6
185.13211	5.1
198.13271	3.3
199.14836	6.1
203.14227	5.1
213.16333	4.7
235.16965	3.3
241.19565	6.8
259.20593	17.0
291.23196	100.0
329.96207	3.0
341.19684	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	445.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67834	0.5
52.15241	0.4
53.03934	2.2
55.01861	2.3
55.05517	2.7
56.96557	0.6
57.03428	2.6
59.04996	0.5
61.02917	1.3
67.05514	3.3
69.03085	0.6
69.03431	8.0
69.07056	1.2
70.06572	0.9
70.80145	1.2
71.04968	1.3
73.02899	1.7
74.61276	0.5
79.05492	3.7
81.03426	7.8
81.07071	4.1
83.04985	1.0
83.08613	0.6
85.02905	13.6
86.09705	1.2
87.00832	4.7
91.03948	0.8
91.05434	3.1
93.07054	5.4
94.99760	0.5
95.04973	1.1
95.08594	2.0
97.02895	5.2
97.06532	2.8
97.10172	1.6
98.97582	0.8
99.04467	2.5
100.21986	0.5
103.03925	0.7
104.34766	0.5
105.01894	2.7
105.07039	5.4
107.04933	0.9
107.08600	26.7
109.02888	7.5
109.06483	0.7
109.10153	2.2
109.87661	0.5
117.07038	1.3
119.08579	4.4
121.02799	0.7
121.06504	1.9
121.10138	4.8
123.04389	0.6
123.08042	0.9
123.11721	0.9
125.09621	1.4
127.03925	9.8
128.98613	0.5
131.08571	1.0
133.10129	15.7
135.08116	0.6
135.11688	0.8
137.05980	2.2
137.09618	2.6
139.07529	0.8
143.08592	1.0
145.04935	2.2
145.10170	1.2
148.68561	0.5
149.09657	3.4
151.07518	1.1
151.11163	5.7
153.12764	0.8
159.02896	1.4
161.09619	5.0
163.11235	1.3
167.10674	9.5
173.09892	0.6
179.10680	14.6
189.05457	0.9
197.11736	100.0
198.12114	0.6
201.12549	0.7
206.08253	0.9
209.11696	0.8
213.03941	0.8
227.12959	0.6
231.05005	3.1
247.13261	0.7
248.13629	1.0
269.32889	0.5
283.09628	0.6
283.15442	1.3
359.03000	1.0
383.16711	0.6
427.20108	3.3
445.16574	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	444.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01860	2.3
55.05508	5.9
56.96565	0.7
57.03424	1.1
57.07055	0.8
67.05503	8.7
69.03416	1.7
69.07061	4.5
69.27003	5.5
70.06569	0.6
70.18149	0.6
71.04990	1.6
79.05494	10.8
81.03417	2.7
81.07059	9.4
83.04979	1.8
83.08608	2.3
85.02901	1.3
85.06518	0.9
91.05482	14.4
93.07048	9.0
95.04996	3.1
95.08613	7.3
95.77448	0.6
96.05744	0.8
97.02890	1.1
97.06535	2.6
103.05450	0.9
105.07043	8.2
107.04955	6.5
107.08598	5.9
109.06522	2.9
109.10158	2.1
115.05471	1.3
117.07009	4.7
119.04929	4.2
119.08595	6.4
120.05723	1.9
121.06508	4.1
121.10142	3.9
123.04437	6.2
123.08071	1.3
123.11716	0.6
128.06268	1.1
129.07011	3.5
131.04938	1.6
131.08577	6.3
133.06500	4.4
133.10120	3.7
135.04424	3.0
135.08035	3.5
135.11678	2.1
137.05975	18.0
137.09590	1.0
142.07849	0.7
143.04883	0.8
143.08548	2.3
145.06480	3.2
145.10144	4.7
147.04405	7.2
147.07002	1.0
147.08015	4.5
147.11684	1.8
149.05980	4.2
149.09636	2.9
155.08536	1.4
157.06514	1.6
157.10161	2.0
158.95988	0.6
159.08102	1.9
159.11717	2.0
161.06000	4.8
161.09618	4.0
161.13251	1.5
163.03899	0.9
163.07553	2.4
163.11201	3.1
163.97478	0.6
164.07091	1.2
165.05521	0.9
165.06897	0.8
169.10158	1.2
171.08005	1.2
171.11803	0.8
173.05994	3.1
173.09679	1.1
173.13254	1.1
175.07578	4.5
175.11235	2.3
176.07013	1.4
176.10625	1.3
177.09100	1.6
177.12727	1.5
183.08041	1.1
185.09564	1.4
187.07553	2.7
187.11206	0.8
188.10820	0.9
189.05479	1.6
189.09151	4.0
191.07059	1.7
199.07579	1.8
201.09155	1.3
202.12267	1.1
204.10216	1.8
205.10989	2.2
207.08119	0.8
211.07462	1.4
212.08398	0.8
215.07037	0.7
215.10709	1.5
217.12184	1.4
223.07695	0.7
225.09184	0.7
237.08911	0.8
239.10606	1.3
245.19043	1.1
258.14917	0.9
273.18488	2.6
291.19690	1.8
341.17667	1.4
365.21228	0.9
374.19360	1.1
381.24152	1.0
382.23767	14.2
383.22098	1.3
391.22641	2.0
409.23712	16.7
426.26389	13.3
426.31882	1.0
427.20261	0.5
427.24805	25.1
444.27472	100.0
445.27850	2.0
461.56186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01870	6.9
55.05236	1.3
55.05511	23.2
56.96554	1.5
57.03429	4.2
59.04977	1.4
65.03935	1.5
66.11278	1.2
67.05506	17.0
69.03435	7.5
69.07080	9.5
69.60565	3.1
69.60989	4.7
71.04970	2.4
79.05493	23.4
79.05958	1.2
81.03423	8.0
81.07062	21.1
81.10784	1.0
83.04984	6.1
83.08624	13.1
85.02912	6.7
91.03951	1.4
91.05482	28.7
91.49534	1.0
93.07051	17.8
95.04975	25.6
95.08608	13.0
97.02896	7.5
97.06536	5.4
97.10184	10.5
103.05463	2.4
105.07030	13.4
107.04958	26.7
107.05631	2.4
107.08598	13.3
109.02882	2.3
109.06525	5.1
109.10165	4.4
111.04413	1.8
113.00013	4.3
115.05435	2.0
117.07008	7.4
119.04941	11.0
119.08587	10.9
121.06503	9.8
121.10128	6.4
122.07255	1.3
123.04429	17.7
123.08080	4.7
125.09633	6.8
127.03922	4.0
128.06287	1.3
129.07018	3.8
131.04955	2.2
131.08562	7.4
133.06496	6.1
133.10100	6.8
135.04425	35.6
135.08078	4.1
135.11674	3.2
136.06152	1.2
137.05984	44.4
137.09605	1.4
141.07013	1.4
143.08527	2.6
145.06482	5.5
145.10110	8.2
147.04416	7.7
147.08063	6.2
147.11737	1.9
148.07576	1.1
149.06020	5.9
149.09631	5.1
149.13214	1.4
153.12785	2.9
157.06459	1.5
157.10170	2.1
159.08063	4.3
159.11731	3.0
161.05957	2.7
161.09578	5.5
162.10416	2.2
163.07584	3.1
163.11182	13.1
164.07047	2.5
169.02589	3.6
169.10059	2.1
171.11697	1.9
173.04631	1.8
173.05925	2.3
173.09653	1.7
175.07578	2.1
175.11180	1.8
177.09142	5.2
177.12708	1.2
179.08566	1.2
183.08124	1.4
185.05933	1.5
185.09659	1.6
187.07571	4.4
187.11197	1.9
189.09195	1.7
189.11197	2.5
191.10719	1.5
193.12291	1.3
199.07697	1.4
201.09108	3.1
205.12265	1.4
208.24509	1.1
209.11743	6.1
213.05487	5.1
213.09183	2.1
215.07060	3.8
223.13272	7.8
224.08173	2.2
225.09039	1.2
227.12807	3.6
228.07895	1.5
229.08670	1.7
229.12265	1.3
231.13663	1.3
241.12242	2.6
243.13889	1.7
263.16486	1.4
273.18347	5.6
275.20105	3.9
283.15433	1.4
291.19586	7.0
293.21118	2.5
335.85895	1.2
339.15991	3.0
341.16812	1.2
356.18564	1.4
357.16925	36.1
359.18179	1.2
374.19577	8.0
381.24246	1.9
382.23920	1.4
409.23758	5.0
426.26834	5.2
427.24835	81.5
444.27505	100.0
445.20703	11.9
445.26501	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	444.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01873	4.6
55.05516	5.9
57.03442	7.7
67.05504	10.4
69.03436	2.5
69.07069	5.0
70.06604	1.8
71.04988	1.0
78.11588	0.8
79.05494	13.8
81.03419	3.9
81.07056	16.3
83.08617	3.2
85.06544	2.1
91.05483	16.0
93.07042	13.8
95.04967	3.9
95.08610	8.9
97.02865	1.3
97.06525	5.9
97.10176	0.9
98.20757	3.3
98.97581	0.9
105.07047	8.6
107.04948	5.2
107.08595	9.1
109.06520	34.5
109.07265	1.9
109.10174	3.0
112.99989	1.3
117.07014	6.0
119.04971	1.9
119.08577	5.9
121.06526	3.1
121.10136	4.3
123.04433	2.0
123.08067	3.0
128.06253	1.3
129.07019	4.9
129.36893	0.9
131.08566	10.6
133.06471	3.1
133.10139	3.6
135.04436	3.8
135.08064	25.1
135.11711	4.0
137.05969	12.8
141.06990	1.3
143.08554	4.9
145.06439	1.7
145.10121	6.2
147.04420	8.9
147.08046	2.4
147.11646	2.0
149.05995	3.1
149.09608	5.0
149.13300	1.6
154.58414	0.9
155.08478	1.4
157.10104	4.3
157.48383	0.9
159.08102	2.7
159.11658	4.2
161.05949	2.2
161.09615	5.7
163.07610	1.7
163.11215	2.6
165.05586	1.0
169.10233	1.0
171.11720	2.3
173.13283	1.2
175.07532	1.8
176.07068	1.7
176.10718	2.3
177.09125	1.7
177.12759	2.7
183.11917	1.1
189.09105	11.3
191.10693	3.6
195.13780	1.5
199.14798	2.2
203.10739	4.4
205.10866	1.7
207.10286	1.1
217.15887	9.7
229.95723	0.9
231.10205	1.7
245.19012	1.2
255.17407	2.1
258.15118	1.3
261.66214	0.9
269.11865	1.2
273.18405	12.9
291.19540	55.3
293.13434	1.4
305.21106	1.9
382.23669	9.8
391.22592	1.9
409.23737	17.6
426.26471	11.3
427.24738	12.3
444.27487	100.0
445.27759	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.3
53.72481	0.3
55.01864	0.9
56.96556	0.3
57.03441	1.6
59.05001	1.6
61.02917	1.1
69.03434	5.8
69.82368	0.9
69.82774	0.8
70.06577	0.3
71.01371	0.3
71.04998	0.8
73.02932	0.6
75.04457	0.9
81.03418	0.9
85.02905	7.3
85.06544	0.4
87.04466	3.9
91.03947	0.4
92.96179	0.3
94.04070	0.4
97.02901	3.7
97.06474	0.4
98.20830	0.5
98.97601	2.5
99.04447	0.6
101.06031	2.8
102.25035	0.3
109.02924	0.4
110.97571	1.0
111.04427	0.6
115.03945	1.7
116.98611	1.1
119.03552	1.0
120.08086	2.1
122.07155	0.9
123.07977	0.7
127.03912	1.2
128.98633	0.8
129.05516	0.7
136.06189	100.0
137.04613	0.6
143.00131	0.4
145.04979	0.7
147.06519	3.1
158.99701	0.7
166.08649	1.2
170.99632	0.7
177.00725	0.6
189.00717	0.7
219.01869	0.8
237.02866	0.6
241.96611	0.3
282.01376	0.7
282.11975	6.6
298.11429	1.0
300.02383	0.5
444.06891	0.6
444.17239	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	444.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77617	1.0
52.70049	1.0
56.96564	13.2
69.03410	2.2
70.01343	1.1
70.81335	3.0
73.02898	1.1
84.96028	7.8
85.02915	6.2
85.69052	1.1
85.69575	1.2
94.06546	1.9
97.02881	2.7
98.97583	100.0
99.04413	1.2
101.95048	3.3
110.97570	57.3
112.99121	2.1
116.97824	1.8
116.98616	22.9
124.99127	2.2
127.00667	1.4
127.03935	2.8
128.98605	32.6
131.00182	1.4
134.99632	1.2
136.08859	1.1
136.98984	1.5
140.98592	11.3
143.00169	9.7
143.01880	1.5
144.98109	1.8
145.04953	1.4
146.99622	7.7
149.15070	1.1
152.98586	10.2
155.00143	1.6
158.98322	1.6
158.99648	37.0
161.01233	3.9
170.99652	65.5
172.29041	1.0
177.00714	12.7
179.02226	1.1
179.98174	3.1
182.99635	16.4
189.00702	35.5
191.03969	1.6
201.00706	29.9
204.65373	1.1
209.67743	1.1
212.02217	1.3
213.00752	2.5
215.15256	1.1
219.01764	31.2
220.04520	1.2
231.01723	2.2
237.02829	14.1
243.01775	10.3
245.05138	1.8
261.02820	42.7
264.00269	16.8
272.06445	3.7
272.56680	5.5
273.02835	3.4
273.08105	2.4
279.03870	14.9
281.57126	1.5
282.01324	71.3
291.03845	8.4
300.02393	30.2
321.04910	21.4
333.04965	2.9
351.06094	2.5
381.06964	2.9
399.08002	1.8
444.06607	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.352
Annotation	Topsentisterol B2
Peak:m/z	Relative Intensity
53.03946	0.8
54.34676	0.4
55.05518	3.0
55.53461	0.5
57.07079	4.0
67.05506	1.2
69.07076	7.1
69.48289	3.5
71.08630	3.5
79.05492	2.5
81.07063	3.8
83.04951	0.4
83.08614	3.5
85.10201	1.9
91.05479	3.0
93.07043	8.4
95.04984	0.5
95.08600	5.1
97.06504	0.6
97.10197	2.9
105.07028	2.9
107.08607	5.0
109.06512	0.9
109.09427	0.4
109.10152	2.4
111.11742	1.8
117.07053	1.8
119.08601	2.1
121.02912	0.9
121.06496	4.8
121.10172	2.3
123.08067	0.9
123.11710	1.0
131.08578	2.8
132.70576	0.4
133.06509	0.6
133.10149	1.9
135.08060	3.6
135.11707	1.5
137.09618	0.6
139.07492	0.5
143.08575	1.3
145.06487	0.9
145.10104	2.5
147.11722	1.4
149.06018	0.6
149.09618	2.5
149.13223	0.8
155.08566	0.9
157.10155	1.4
159.08109	1.6
159.11682	2.9
161.09583	1.2
161.13277	0.8
163.07584	1.2
163.11162	0.5
169.10190	0.7
171.11659	1.0
173.09648	1.8
173.13322	1.1
175.11157	1.2
177.09178	0.5
177.12720	0.5
181.10185	0.6
183.11766	1.3
185.13275	1.0
187.11288	0.7
187.14828	1.7
197.13333	0.9
201.12794	1.9
201.16495	0.8
203.14355	0.5
208.74225	0.5
211.14836	1.1
216.92020	0.5
221.15269	1.0
222.66861	0.4
225.16447	0.6
229.15952	1.2
239.17943	0.7
247.13347	1.5
247.17003	1.1
257.15530	0.8
257.18991	0.6
261.18597	5.7
263.16534	0.7
267.17462	0.7
271.17014	1.0
275.16470	8.7
275.19910	0.7
282.03342	0.5
285.18497	1.1
317.24789	19.8
397.34827	0.6
401.34299	1.4
407.33414	1.4
425.33960	2.2
443.35223	100.0
444.35345	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.352
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
52.95405	1.5
55.05517	5.6
57.07065	2.3
58.07306	1.3
64.39085	1.4
67.05502	6.1
67.49989	1.4
69.03429	1.8
69.07073	13.3
69.97321	7.7
71.18619	1.4
78.11182	1.4
79.05493	3.6
79.31976	1.3
81.07063	13.5
83.04992	1.8
83.08617	5.3
87.04459	8.6
88.04792	2.0
90.46178	1.4
91.05492	5.0
93.07044	11.8
95.08616	26.1
96.91934	1.5
97.06538	3.4
97.10178	3.3
99.08099	6.0
105.07016	12.5
107.08596	24.9
109.06548	1.6
109.10168	12.8
111.08096	2.9
111.11711	7.4
117.07027	2.4
119.08576	17.5
119.37877	1.5
121.10143	21.5
123.08096	1.8
123.11719	11.4
131.08604	5.3
133.10126	15.2
135.08061	1.9
135.11679	10.7
137.09660	2.5
137.13292	4.4
143.08574	3.3
145.10112	11.3
147.11708	17.3
149.09665	3.2
149.13318	7.7
151.11212	3.1
157.10153	2.8
159.11732	6.4
161.13263	10.2
163.11156	23.7
163.14867	4.0
165.12752	2.1
167.14330	28.2
169.10187	2.4
171.11707	3.5
173.13304	3.6
175.14780	1.9
177.12784	2.6
177.16385	13.0
183.11717	2.0
184.07513	1.9
185.13326	2.6
187.14836	12.1
188.66765	1.7
189.16504	1.8
191.14311	2.0
191.17999	2.3
195.17520	6.1
197.13287	2.1
199.14859	3.8
201.12880	1.7
201.16457	4.4
205.15872	38.1
213.16423	2.0
219.17545	1.9
223.17000	3.4
225.16356	1.9
243.17561	2.4
249.22285	2.6
261.14435	1.7
267.21194	3.6
283.20685	2.0
285.22137	65.1
289.21658	2.6
407.33252	6.3
416.91232	1.6
425.34210	32.3
443.27713	6.7
443.34625	100.0
444.34933	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11063	0.6
55.05504	1.1
67.05501	2.3
67.14332	0.7
69.07054	2.1
69.21736	3.3
69.22159	2.5
71.08640	0.8
71.59528	0.6
79.05493	2.9
81.07046	2.8
82.28975	0.7
83.08626	1.1
87.04458	0.6
91.05464	1.5
93.07032	2.9
95.08600	2.9
97.06549	0.7
97.10208	0.8
98.20657	1.0
105.07033	1.6
107.08595	1.9
109.10159	1.8
111.84110	0.7
117.07086	0.9
119.08585	1.9
121.10155	1.9
123.08044	0.8
131.08551	0.8
133.10141	1.3
135.11665	1.4
145.10139	0.9
149.13228	0.7
153.05231	100.0
157.10109	1.0
163.11212	0.9
164.34602	0.6
175.14815	0.9
177.12711	0.7
194.07921	1.4
259.37653	0.7
313.21371	45.9
425.34467	0.9
443.28271	1.3
443.33615	20.8
465.24246	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94592	0.3
55.01870	0.5
55.05495	0.3
61.02910	0.6
66.21442	0.4
67.05509	0.8
69.03428	0.4
69.07060	1.0
69.23494	3.5
79.05481	1.4
81.03419	0.8
81.07052	1.8
85.02877	1.4
91.05476	0.7
93.07031	1.1
95.04967	0.4
95.08591	1.4
95.68887	0.4
97.02914	0.9
97.06547	1.9
98.84885	0.3
98.97601	0.4
101.00808	0.4
105.07027	0.8
107.08622	0.8
109.02897	0.6
109.10170	0.7
118.71305	0.3
119.08570	0.6
121.06506	0.4
121.10135	0.9
127.03954	0.6
131.08569	0.6
132.75929	0.4
133.10136	0.4
133.65915	0.4
135.11708	0.4
137.05986	0.6
145.10072	0.5
147.11661	0.7
157.10196	0.5
160.51410	0.4
165.09129	0.8
185.04265	0.6
189.12936	0.5
195.13618	1.7
223.13043	1.0
229.13039	0.6
239.29065	0.4
259.09833	0.5
297.51013	0.4
298.94214	0.4
339.17758	0.6
357.18829	7.8
371.20642	0.7
381.18628	0.8
383.14948	0.4
399.19873	29.6
400.20197	0.4
424.11044	0.4
443.18893	100.0
444.19345	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22835	3.1
53.03939	16.3
55.01859	11.1
55.05511	22.3
57.03442	27.9
61.02932	36.6
67.05507	68.5
69.03436	51.8
69.07062	24.6
69.45643	16.4
69.46058	8.0
70.06570	2.9
71.01342	7.7
71.04984	10.3
73.02920	27.1
79.05498	100.0
81.03423	39.6
81.07062	61.9
81.08978	3.1
83.04985	20.9
83.08606	11.2
85.02911	72.8
85.06545	9.7
87.04465	4.4
91.03953	15.3
91.05488	80.0
93.07047	82.5
95.04974	31.6
95.08604	38.4
97.02892	47.0
97.06525	22.9
97.52522	3.7
98.21464	5.0
98.94691	3.4
98.97582	6.5
99.04444	13.9
99.08102	6.5
101.02378	9.9
103.03918	6.2
103.05475	5.0
105.07039	59.3
107.04977	15.7
107.08604	29.5
109.02881	12.8
109.06512	12.9
109.10153	13.4
111.04437	3.3
111.08066	5.0
115.05418	3.6
117.07024	29.2
119.08585	37.3
121.06502	8.7
121.10147	15.8
123.04456	3.9
123.08045	11.0
125.05929	3.5
127.03915	32.6
128.06178	8.4
129.07013	31.4
131.08569	15.0
133.06473	6.3
133.10120	19.9
135.08064	6.6
135.11668	5.1
137.06017	6.7
137.09619	4.8
141.07013	3.4
143.08583	21.1
143.93042	3.3
145.04953	11.8
145.06468	7.5
145.10138	23.1
147.08070	12.2
147.11681	44.1
149.09651	4.4
149.13286	4.7
155.06027	3.6
155.08521	4.9
156.09305	3.3
157.06561	5.3
157.10147	11.0
159.08076	5.8
159.11713	11.3
161.09615	10.0
161.13234	17.9
163.06128	5.0
163.07559	4.7
163.11253	5.1
167.07060	3.4
167.08456	3.7
171.11700	42.7
173.04451	4.8
173.13280	8.8
181.10086	3.8
183.06441	4.1
183.11626	5.0
185.09619	6.3
185.13245	5.9
189.12740	21.6
197.13286	3.4
199.14815	4.0
206.37158	3.6
207.13792	47.9
209.13397	3.4
217.15573	3.4
221.15314	5.1
226.00906	3.4
227.14166	4.0
241.15898	6.2
259.16937	3.7
269.15399	6.0
281.17474	81.0
287.16446	12.7
295.19073	3.9
309.16788	5.2
323.18649	7.2
343.19098	7.1
349.19839	4.2
361.19980	8.8
383.14868	7.7
389.19534	6.8
425.21603	8.4
425.30783	5.0
426.61319	4.0
443.18018	6.5
443.22739	5.6
443.26929	15.5
444.27472	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82151	0.5
54.03467	3.0
55.04245	2.7
58.12688	0.6
61.02930	0.9
69.03428	2.0
69.52113	3.5
73.02918	1.0
80.05025	0.6
81.04546	19.8
81.05032	1.1
82.05322	8.3
85.02915	3.0
87.04464	0.9
97.02884	1.2
98.97623	0.7
100.87350	0.5
108.05699	0.7
122.07159	100.0
123.07940	91.1
127.03853	0.6
136.06206	1.1
144.04784	0.9
160.04314	2.1
165.07761	3.7
172.04263	1.3
188.28482	0.6
281.10687	60.7
282.10941	1.1
420.66934	0.7
443.15991	90.6
444.16367	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47844	0.5
55.01828	0.9
55.05442	3.0
56.96504	0.7
57.03392	0.9
57.07030	1.3
58.33620	0.5
61.02856	0.8
67.05431	3.5
69.03360	3.0
69.06992	3.5
70.15710	2.0
71.04909	1.8
72.08105	0.8
73.02856	0.5
78.14138	0.5
79.05413	5.5
79.05909	1.1
81.03378	1.4
81.07053	4.2
83.04978	5.2
83.08533	1.9
84.08080	1.0
85.02817	1.9
85.06456	2.4
86.06002	0.8
91.05489	4.3
93.07053	7.4
95.04980	2.9
95.08616	3.4
97.02882	1.3
97.06544	9.0
98.97498	0.8
99.04350	0.7
102.80707	0.7
105.07043	6.3
107.04873	2.7
107.08611	5.5
109.06448	1.8
109.10078	2.0
111.08007	1.0
113.05943	0.8
113.09583	1.4
117.06932	1.8
119.04870	0.9
119.08579	5.7
121.06508	2.8
121.10059	2.6
123.07978	2.2
123.11628	1.1
125.06007	5.8
125.09569	1.6
127.19070	0.6
128.06212	0.8
129.07002	2.9
130.07706	1.1
131.08556	3.7
133.06396	1.0
133.10123	3.6
135.08012	0.7
135.11624	1.3
137.05878	2.3
137.06897	0.6
137.09494	1.0
139.11101	1.7
141.06961	3.7
142.07829	2.9
143.07101	2.9
143.08536	3.4
144.05650	1.1
145.04933	0.7
145.06409	0.9
145.10130	4.4
147.04333	0.7
147.07991	1.3
147.11607	2.6
149.09508	1.7
151.07542	3.2
155.08484	0.9
155.10574	1.6
156.05617	1.1
156.09297	1.0
157.06415	2.3
157.10129	7.7
158.07243	1.1
158.99640	0.7
159.08083	3.7
159.11745	3.9
161.09595	1.5
161.13184	1.0
163.03784	0.7
163.11165	0.7
165.05469	0.8
165.06917	0.7
167.07083	4.9
167.08321	1.2
168.09280	0.7
169.06374	1.8
169.08624	1.0
169.10023	2.3
170.07196	1.9
171.11685	2.8
173.09532	0.9
173.13161	1.8
175.07362	0.7
175.11189	1.0
177.08969	0.8
179.07013	0.7
179.10709	0.7
181.10081	0.8
181.12158	1.6
183.11613	1.3
185.05974	0.7
185.13168	1.6
186.06746	4.0
187.07452	1.8
187.11087	0.9
187.14748	0.8
189.06932	0.9
189.09138	0.7
189.12720	1.2
190.07738	1.0
191.08492	2.1
195.11667	0.9
195.13660	0.7
197.13168	2.8
198.11145	2.0
199.11377	0.9
199.14740	0.8
200.08270	2.0
201.09096	3.7
202.07779	1.9
203.08559	2.1
205.06381	1.7
205.08461	1.2
207.13748	1.4
208.05177	1.6
209.09639	0.9
209.11537	1.1
209.13300	1.4
211.14722	2.4
214.06075	0.9
215.06821	0.9
215.08650	1.1
215.14293	1.0
217.06444	0.9
217.08546	1.5
218.07190	2.0
219.08107	5.7
219.09985	0.8
220.08832	2.7
221.09598	1.0
221.15302	1.4
222.06764	0.6
223.07593	1.0
223.11137	0.7
223.14755	0.8
224.08083	0.6
224.65724	0.7
225.16266	1.0
229.06543	0.7
229.08609	10.5
229.15627	0.6
230.07242	1.3
231.07945	4.7
231.10126	1.5
232.08833	1.7
233.06000	1.3
233.09499	3.3
233.15402	1.1
234.06790	0.8
234.10246	1.1
235.07512	1.5
235.11067	1.5
235.13266	2.7
237.09004	1.8
239.13982	0.6
244.08772	1.3
245.05800	0.7
245.09544	1.7
245.15363	1.5
246.06728	0.9
247.07465	9.8
247.09698	4.4
248.08340	9.2
249.09003	1.7
250.06229	1.9
251.06891	1.4
257.15448	0.8
258.06778	1.1
259.07452	3.3
260.08264	1.9
261.05389	1.3
261.09146	4.5
262.06198	1.5
262.09851	5.7
263.07037	1.1
263.10623	6.6
263.16400	2.3
264.07816	1.8
265.08551	3.7
266.09375	1.1
269.08130	1.4
273.09280	1.0
275.07086	5.8
276.07840	6.8
277.05676	0.6
277.08621	4.5
278.05771	0.9
278.09225	1.3
279.06842	1.1
279.10104	2.0
280.10950	1.0
281.17474	0.8
289.08179	1.0
289.10803	2.1
290.09296	5.6
291.06985	0.7
291.10092	12.4
291.13049	1.0
292.07214	3.8
292.10440	1.2
293.08090	9.9
293.11472	1.1
294.08777	1.6
295.06000	1.4
299.09268	0.8
304.07245	1.6
305.08038	3.0
305.11621	1.7
306.08832	1.5
307.06247	1.3
307.09604	6.8
308.10416	5.4
309.07736	0.9
309.11093	1.3
310.08588	0.9
311.09183	0.7
315.08606	4.7
318.08920	1.4
319.09686	6.9
320.06866	1.0
320.10388	1.1
321.07547	5.3
321.11227	1.6
322.08261	2.5
322.11960	2.4
323.09280	1.2
323.12766	8.3
325.11044	1.3
330.10922	4.3
333.11343	0.8
335.09024	2.0
336.09995	5.1
337.10721	7.8
338.07773	2.8
340.13013	0.9
350.11514	2.0
351.12286	14.5
352.12982	2.2
353.10190	9.2
368.12637	10.1
383.14905	100.0
384.15271	1.7
399.19647	1.0
425.26514	2.8
443.17725	5.3
443.27890	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	442.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.4
55.05502	1.8
57.03204	1.3
57.03438	18.2
57.07066	1.1
59.05009	1.2
61.02927	14.0
67.05489	3.7
69.03089	2.2
69.03430	25.7
69.07053	3.3
69.23090	8.3
69.23502	3.4
70.06573	2.1
71.01347	3.6
71.04992	2.3
71.08609	2.2
73.02921	60.3
79.05476	5.5
81.03421	6.6
81.07039	5.4
81.12129	1.4
81.61438	1.4
83.04952	2.1
85.02906	100.0
86.06017	1.7
87.04488	7.3
91.03941	5.4
91.05455	4.4
93.07014	3.9
93.78500	1.3
95.08616	1.9
97.02892	54.7
97.03524	2.8
97.06528	12.3
98.21554	3.0
99.04433	4.6
103.03949	3.1
105.07024	3.7
107.04984	1.6
107.08529	1.8
109.02863	9.1
115.03931	27.4
119.08546	2.2
127.03916	34.2
129.06929	2.0
133.04967	35.7
133.06462	1.8
135.04404	1.4
137.05994	6.2
144.06549	1.5
145.04961	59.8
150.07629	3.2
159.08011	1.6
163.06018	23.2
165.05501	2.3
171.11674	1.8
173.09587	1.5
187.07449	1.5
189.09090	3.0
215.07198	1.3
217.07141	1.8
223.05966	6.9
233.11699	2.8
241.07034	9.8
259.07956	7.1
277.09320	2.4
280.32126	1.3
281.17365	1.6
293.19504	4.0
295.10284	3.0
296.11618	1.2
304.64743	1.9
341.16263	1.5
370.20102	5.9
398.23221	2.6
406.24280	1.6
424.24905	5.2
442.25327	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.6
57.03438	14.2
57.07069	1.9
58.45635	0.8
59.05020	1.2
61.02925	12.6
69.03432	32.5
70.53382	1.9
70.53724	1.4
71.01345	4.3
71.04999	1.8
73.02921	63.8
81.03420	7.2
81.07049	0.8
85.02907	100.0
87.04479	4.0
91.03951	5.5
94.96023	0.8
97.02895	58.8
97.06538	1.8
99.04443	4.4
103.03941	3.2
109.02877	9.2
115.03934	26.5
127.03919	31.1
131.58620	0.8
133.04970	42.4
137.06001	1.1
145.04964	50.4
150.07619	2.1
157.04990	1.2
163.06024	31.8
181.04973	0.8
193.04967	2.3
199.06180	1.7
205.05064	0.8
205.07010	0.9
211.06018	0.9
217.07085	2.1
223.05998	6.6
241.07066	7.0
259.08087	11.8
270.97534	0.8
277.09152	2.5
293.19635	2.3
295.10239	2.9
442.25562	5.4
466.01578	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09632	0.3
55.01867	0.9
55.05508	0.7
56.96560	0.9
57.03440	4.2
61.02927	2.2
66.29483	0.3
69.03431	5.1
69.07053	0.5
69.37146	2.3
70.06596	2.3
71.05006	1.1
72.08153	0.5
73.02925	6.9
79.05497	0.9
81.03426	0.8
81.07042	0.7
83.04999	0.4
84.04534	0.4
84.08158	0.4
84.49351	0.3
85.02913	10.5
86.09689	0.6
87.04465	1.2
91.03960	1.0
91.05498	0.6
92.62673	0.4
93.07041	0.8
95.04957	0.5
95.08608	4.8
97.02893	6.4
97.06539	0.5
98.97594	1.8
99.04450	0.8
101.40450	0.4
103.03950	0.7
105.07022	0.5
107.04944	0.6
109.02894	1.1
111.31023	0.3
113.09649	100.0
113.34293	0.4
114.10017	0.7
115.03954	2.5
116.98655	0.3
118.06578	0.4
118.43343	0.3
119.07306	0.4
121.02876	0.6
122.06048	0.4
127.03918	2.9
131.10684	13.4
133.04980	2.4
136.07605	0.7
137.05977	0.5
145.04961	2.7
163.06058	0.8
164.07074	3.5
177.00745	0.5
177.05496	1.3
181.08479	0.4
184.07336	1.2
193.04939	0.5
220.13264	0.6
237.02821	0.4
241.07245	0.4
259.08154	0.8
262.14532	2.0
269.12891	0.5
280.15439	4.7
284.15665	0.5
296.25211	0.4
301.16345	0.5
330.18375	0.3
346.41724	0.3
442.20898	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.05503	0.5
56.96564	0.7
57.03436	4.9
61.02927	2.5
67.05497	0.7
69.03091	0.5
69.03436	6.4
69.07082	0.9
70.06610	2.7
70.88399	0.9
70.88739	0.9
71.01337	0.6
71.04984	1.1
73.02918	6.7
79.05489	0.8
81.03441	0.7
81.07060	0.5
84.08154	0.9
85.02431	0.9
85.02908	11.2
86.09693	1.1
87.04458	1.6
91.03956	0.9
93.07057	0.7
95.04919	0.6
95.08609	5.4
95.50928	0.5
97.02887	7.3
97.06551	0.5
98.97589	2.1
99.04488	0.5
103.03934	0.6
107.08596	0.6
109.02892	1.5
113.09647	100.0
114.10016	0.6
115.03915	3.5
116.98625	0.7
118.47208	0.5
119.07326	0.7
121.02868	2.0
127.03923	2.7
131.10684	12.6
133.04935	2.8
141.09117	0.5
145.02913	0.8
145.04965	3.1
163.03941	1.8
163.06026	1.0
163.11211	0.6
164.07063	3.4
177.05447	2.2
184.07373	1.4
197.75099	0.4
219.01779	0.7
220.13373	0.9
221.02724	0.5
237.02798	0.5
259.08109	0.8
262.14337	1.5
280.15387	5.0
301.16519	0.6
309.07324	0.6
315.13412	1.1
352.19308	0.5
442.10205	0.6
442.15811	0.5
442.21130	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	442.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62084	1.4
56.96554	2.1
58.99590	9.3
61.02928	1.4
67.05484	3.8
69.03415	4.8
69.07066	2.4
70.06593	41.1
70.41286	2.3
70.41675	2.6
72.08141	6.1
73.54720	1.3
76.02235	2.3
79.05482	2.4
81.03403	1.4
81.07046	3.1
84.04534	1.8
84.08150	1.7
84.96095	1.2
85.02895	7.7
86.09703	6.5
86.99045	4.1
88.04000	2.0
88.22475	1.3
91.04008	1.5
91.05483	2.7
93.07096	1.5
94.06567	8.4
94.64659	1.3
96.04490	6.3
96.08136	13.1
97.02881	3.6
98.06036	3.6
98.97597	5.2
100.02206	38.4
102.00122	1.8
105.00104	10.1
105.07012	1.3
110.06087	1.7
110.07160	1.7
110.97546	2.0
112.99137	1.6
113.04250	1.6
113.09628	3.2
116.98602	2.0
120.01144	2.7
122.06027	29.5
124.07578	21.5
125.51204	1.3
127.03933	1.9
133.06100	4.1
136.07579	33.9
137.05983	3.7
138.05545	2.4
138.09132	15.1
139.08649	2.1
140.07065	2.4
146.02711	99.9
150.05511	2.0
154.03230	13.9
156.04779	5.3
158.99667	2.1
159.10153	1.7
162.05478	1.5
164.07074	79.9
166.04962	2.9
169.13373	9.2
176.15167	1.5
180.04778	5.2
182.08122	27.0
183.14915	3.7
188.10719	1.9
194.88998	1.7
197.07430	3.3
197.12802	4.0
198.09169	2.5
211.14429	4.2
212.10632	2.7
216.10249	2.2
216.12218	2.3
219.01744	3.2
220.13359	3.7
225.29752	1.3
232.12859	2.6
237.02815	2.9
243.08002	100.0
243.11192	7.3
257.09705	2.1
257.12827	8.9
258.11273	5.8
262.14401	24.1
280.15427	51.4
285.12320	12.9
286.10764	4.5
290.04214	2.1
303.13409	21.9
304.11789	27.7
310.21222	3.7
321.14294	2.9
329.18127	4.4
378.14905	2.3
382.05063	1.8
419.05887	1.5
424.15320	22.0
442.16116	14.1
442.20715	27.7
442.26685	11.2
443.20401	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	441.373
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05505	17.7
57.03434	3.3
57.07060	8.1
58.11793	3.4
62.14992	3.5
67.05502	30.0
69.03394	3.3
69.07074	26.3
71.04977	3.8
71.08628	10.9
75.65461	3.5
79.05502	26.5
81.07063	57.5
83.08614	12.4
83.61150	3.0
85.06538	9.5
85.10191	7.0
86.09721	3.3
89.06036	14.0
91.05487	17.6
93.07044	56.8
93.07623	3.7
95.04977	4.3
95.08616	100.0
97.06539	5.8
97.10162	8.1
105.07036	52.5
107.08598	80.4
109.10162	61.2
111.08090	6.8
111.11758	4.1
113.09659	8.5
117.07072	5.5
119.07784	5.4
119.08587	54.1
121.06510	9.9
121.10157	64.2
123.08074	3.8
123.11735	25.9
125.09607	7.3
131.08533	15.5
132.69009	3.2
133.08568	8.8
133.10156	44.7
135.08051	5.1
135.11687	59.5
137.13254	8.4
139.11183	3.6
143.08594	4.3
145.10141	35.5
147.08052	5.7
147.11691	33.7
149.13252	31.2
151.11136	4.0
157.10117	6.9
159.11707	33.0
161.13266	37.1
163.11145	8.1
163.14803	32.6
165.09132	6.4
165.12761	5.7
171.11656	5.4
173.13293	20.5
175.11133	4.4
175.14828	32.6
177.16341	15.3
179.14267	5.5
183.11639	3.4
184.07388	3.6
187.14864	19.8
189.16396	27.9
191.14326	7.2
191.17957	63.2
193.15871	6.9
199.14851	7.1
201.16441	18.1
203.17932	23.7
205.15817	4.2
205.19547	9.7
207.17491	7.8
209.11748	4.3
213.16357	4.7
215.17972	30.9
217.15912	4.4
217.19519	19.4
219.17464	10.0
227.17982	3.7
229.19562	7.0
231.17513	6.7
231.21095	4.7
233.19063	24.0
247.20604	3.7
261.22302	4.8
291.23260	3.5
315.18512	8.2
323.45871	3.7
345.79160	3.4
359.26385	3.4
377.27359	3.2
395.36707	6.3
405.35162	7.6
413.38391	3.3
423.36334	88.0
441.26804	6.3
441.37753	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.246
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
55.05489	0.3
56.96556	0.5
57.03416	0.3
57.53057	0.2
61.29257	0.2
67.05499	0.6
69.03419	0.3
69.07073	0.8
71.05000	0.3
71.56700	0.3
73.02918	0.3
79.05493	0.7
80.05465	0.2
81.03401	0.4
81.07052	1.1
83.18755	0.2
85.02905	1.0
86.09699	0.3
91.03948	0.2
91.05519	0.5
93.07039	0.7
95.04949	0.4
95.08604	0.8
97.02900	0.4
97.06535	0.8
98.97591	0.7
99.04452	0.3
105.07034	0.7
107.05003	0.2
107.08578	0.8
109.10155	0.4
110.97555	0.3
116.98638	0.2
119.08578	0.4
121.10152	0.7
127.03909	0.5
131.08574	0.4
133.10124	0.2
135.11687	0.3
137.05992	0.3
147.11707	0.4
158.99698	0.5
177.16447	0.3
185.13214	0.3
210.14975	0.3
279.18817	0.3
302.63837	0.3
312.40033	0.2
315.13403	0.4
316.13998	0.5
392.52240	0.2
423.23697	0.6
441.24631	100.0
442.25076	1.8
459.80627	0.2
467.75800	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3727
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05506	1.4
57.07066	1.6
58.62299	0.5
59.90252	0.5
67.05518	4.1
69.03435	0.6
69.07061	5.8
71.04998	0.6
71.56409	0.7
78.99895	0.5
79.05492	2.0
81.07056	8.3
83.04971	1.8
83.08616	2.1
91.05488	1.7
93.07038	5.4
95.04962	1.3
95.08605	14.3
97.06517	0.8
97.10168	0.7
105.07030	4.6
107.08597	10.0
109.06541	1.0
109.10160	8.5
111.08083	0.8
111.11666	1.1
119.08569	4.9
121.06528	0.7
121.10135	7.4
123.08060	1.5
123.11699	5.8
125.09628	0.5
125.90952	0.6
131.08585	1.5
133.10130	5.7
134.07288	0.7
135.08049	6.1
135.11685	7.0
137.09625	1.6
137.13245	3.1
145.10149	1.8
147.11713	4.1
149.09618	8.2
149.13245	2.7
151.11227	1.1
157.10095	0.9
159.11664	2.7
161.13243	2.6
163.11189	1.6
163.14859	1.4
171.11661	1.5
173.13290	2.0
175.11200	0.7
175.14851	1.5
177.12796	1.1
177.16376	2.8
179.14319	0.9
185.13138	0.7
187.14854	2.1
189.16385	3.7
191.14278	0.8
191.17969	2.0
201.16428	0.9
203.17982	1.5
203.63834	0.5
205.15822	0.8
207.17506	0.6
213.16403	0.6
215.17906	1.6
217.15924	0.7
217.19608	1.4
219.17671	0.6
221.15280	0.6
229.19527	0.9
231.17494	0.8
233.18988	2.1
235.16928	2.8
237.33275	0.6
243.21143	0.9
245.19229	0.7
261.22162	0.7
269.22699	0.7
277.16302	0.8
287.23730	3.3
295.17374	2.0
303.23279	0.7
313.25076	0.6
405.35034	0.7
423.36255	3.1
441.37311	100.0
442.37491	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68921	0.6
51.82021	0.8
54.12890	0.6
54.38061	0.8
55.05500	3.2
56.96553	1.2
57.03440	1.9
59.77550	0.8
61.02909	1.3
67.05507	4.5
68.88889	0.7
69.03435	6.1
69.07050	3.5
71.04991	1.1
71.14985	1.5
72.08106	1.0
73.02916	0.8
79.05480	3.4
81.03403	3.1
81.07058	8.6
82.07372	0.7
83.04952	1.4
83.08620	1.2
84.08122	1.1
85.02911	6.3
86.09712	1.0
87.00821	1.1
91.05481	4.5
93.07042	4.8
95.04961	2.9
95.08604	6.0
97.02883	3.7
97.06572	3.6
97.10139	1.1
98.97577	2.3
99.04438	1.2
99.08053	0.7
104.78233	0.7
105.01864	1.2
105.07043	3.8
107.04958	1.0
107.08588	6.4
109.02862	1.3
109.06508	1.1
109.10169	5.6
115.03916	1.1
117.06964	1.0
119.08595	5.6
121.10130	4.9
123.08037	2.1
123.11631	1.2
125.09606	0.9
127.03927	5.5
129.06958	1.2
131.08495	1.0
133.10117	7.3
134.10445	1.9
135.08025	1.4
135.11713	6.6
137.05975	1.3
137.09613	6.3
138.10004	1.3
138.41866	0.8
139.11150	2.7
143.08513	0.9
145.04961	2.6
145.10162	1.3
147.11687	1.5
149.09619	0.9
149.13293	3.0
151.11145	0.7
151.14867	1.2
153.12729	1.0
156.50064	0.8
159.08002	0.9
159.11693	0.8
161.09547	0.9
175.14818	5.8
185.04175	1.1
191.14278	1.4
193.12068	2.4
193.15886	10.1
201.03659	4.7
203.05240	6.4
211.15205	1.1
211.17027	0.9
231.04912	1.2
245.06261	4.2
253.12849	0.9
259.08743	0.8
261.18185	2.7
263.19919	8.1
289.05356	3.3
347.16861	1.1
355.17273	10.0
373.17267	1.3
397.18320	26.0
398.18930	1.0
441.17276	97.8
441.24484	100.0
442.17514	2.7
442.24969	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05537	1.4
56.96566	52.7
67.05494	3.1
69.07079	3.0
70.98129	10.8
71.57007	2.3
71.95242	3.6
73.98280	1.2
75.70245	1.4
81.07043	3.0
84.21453	1.3
85.57233	1.6
86.09689	1.6
88.99146	1.6
91.05478	2.7
93.07057	1.2
95.08590	2.8
97.41902	1.2
97.96780	3.6
98.97585	20.9
105.00137	1.7
105.06995	3.3
107.08579	2.4
110.97545	2.6
115.00689	2.0
116.98603	5.7
119.08543	3.3
121.10130	2.8
123.01100	1.4
125.00005	2.2
129.02203	2.6
137.02640	2.2
139.00642	2.3
140.00235	1.7
141.02168	2.6
145.01585	1.4
145.14874	1.6
147.03275	1.7
147.11688	1.4
151.00623	1.5
153.02213	2.7
155.03783	5.4
158.78177	1.5
167.03781	2.5
169.01717	2.5
169.05394	4.3
171.03197	1.5
173.04886	6.3
176.11644	1.5
183.06874	2.9
184.07359	7.7
185.04890	1.9
187.06398	6.3
193.05330	3.1
195.06964	10.2
199.06326	4.2
201.08009	3.8
207.06990	1.9
211.06509	7.2
213.07967	6.5
217.05489	2.0
223.06342	2.0
225.08052	5.1
229.07512	9.0
231.09029	2.2
233.08553	3.2
234.07904	2.1
237.07979	6.1
239.09468	4.5
243.09039	29.6
247.08392	2.1
249.07977	2.7
251.09590	30.1
255.08937	4.2
257.10632	10.0
261.10077	9.9
265.11108	39.0
269.10599	50.8
275.11740	2.7
283.12167	67.0
287.11624	2.8
292.12216	6.2
293.10532	1.7
293.14240	1.9
305.14328	2.3
306.13730	8.1
311.11865	2.3
312.12454	3.1
323.15216	1.5
331.15811	11.2
337.16931	8.6
349.16855	22.5
363.18457	52.2
367.17715	4.9
372.18460	3.0
381.19440	11.1
441.21518	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01879	3.9
55.05514	11.3
56.96555	4.1
57.03435	5.8
57.07076	2.3
61.02918	4.3
64.67052	2.2
67.05507	16.1
68.99786	2.5
69.03429	23.8
69.07083	14.7
70.06590	3.0
71.04976	10.2
71.56541	4.0
72.08134	4.0
73.02924	3.3
79.05501	15.5
81.03420	20.0
81.07057	28.1
82.03754	2.4
83.04961	5.9
83.08615	6.9
85.02912	33.7
86.09724	4.0
87.00844	12.6
91.05492	15.9
93.07056	18.3
95.04979	21.7
95.08614	26.0
97.02920	15.4
97.06541	12.6
97.10148	4.5
98.97581	5.3
99.04443	8.5
99.08089	5.8
103.05540	2.6
105.01856	8.9
105.07024	23.1
107.04938	3.2
107.07356	2.2
107.08601	18.8
109.02896	10.0
109.06541	14.6
109.10164	19.7
109.84303	2.2
111.04437	4.5
113.02197	2.8
113.06043	2.7
115.03960	4.9
117.07060	5.1
119.04958	3.0
119.08590	23.2
121.06526	5.3
121.10156	19.3
123.04432	5.9
123.08051	8.1
123.11706	8.2
124.03949	2.3
125.06039	4.0
125.09686	2.7
127.03909	18.0
129.01880	2.9
129.07021	3.8
131.08582	10.8
133.06485	3.8
133.10139	36.5
134.10498	2.7
135.08049	7.7
135.11674	13.4
137.05986	12.6
137.09624	10.0
139.11230	3.2
142.07741	3.7
143.08565	10.7
145.04961	6.1
145.06509	3.0
145.10153	13.8
147.08057	6.7
147.11668	13.4
149.09599	4.7
149.13275	6.3
151.07570	4.6
151.11223	5.1
153.12662	3.1
155.08545	3.3
156.01364	2.2
156.09351	3.3
157.10133	8.9
158.10815	3.1
159.02988	2.8
159.08051	4.8
159.11661	15.1
161.09615	12.7
161.13237	4.0
163.11156	3.2
165.09091	5.9
165.12766	8.8
167.10692	3.1
169.10081	2.8
171.11665	12.6
173.09647	3.8
173.13242	20.1
175.11157	6.7
175.14812	21.3
177.03734	2.4
177.12746	5.2
179.10704	5.4
183.11711	7.5
184.07330	4.1
185.13239	3.9
187.14844	7.7
189.12785	2.3
189.16418	4.6
191.14307	8.2
193.12177	4.3
193.15863	9.8
197.13268	5.4
199.14896	5.0
203.14255	5.8
205.15863	3.8
207.11588	2.7
209.13477	2.4
213.16512	3.5
215.14265	4.0
217.15833	17.4
225.12682	4.2
229.15840	5.5
235.16951	19.5
241.15939	5.7
243.13823	4.6
244.16269	3.5
245.06393	4.3
259.17056	5.6
261.02884	2.4
277.17987	12.8
279.15939	2.7
283.17001	7.4
289.05280	4.5
301.18002	7.9
355.17126	9.2
379.17029	2.9
383.17233	2.9
387.17923	3.9
397.18320	25.0
405.19055	6.8
423.19962	9.1
441.16739	100.0
441.24808	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	441.1734
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
55.05495	0.7
56.96563	0.7
61.02918	1.0
61.57122	0.7
67.05492	1.6
69.03425	1.4
69.07058	2.2
70.06573	3.0
71.56070	1.0
79.05468	1.3
81.03416	1.1
81.07066	1.5
85.02928	1.7
86.09706	1.2
91.05431	0.8
93.07020	1.6
97.02892	1.2
97.06493	1.1
98.97593	1.3
101.00846	1.8
105.07036	0.8
107.08569	2.0
119.01909	2.4
119.08569	1.2
120.08080	0.7
121.06508	0.7
127.03880	0.9
132.08214	0.9
133.10112	0.9
142.52553	0.7
143.01871	2.9
144.02071	0.6
149.98854	0.7
157.03412	1.0
160.07631	1.1
161.02980	1.8
168.99812	1.1
172.07664	0.7
187.00873	1.2
188.07094	4.5
193.12050	1.8
201.03665	0.9
201.78474	0.7
202.08568	1.6
203.05336	1.2
206.08121	1.6
229.01903	1.5
243.04781	4.1
245.06308	2.4
271.04318	0.9
287.03735	40.3
289.05301	19.9
292.09769	0.8
292.24911	0.9
355.16702	0.8
392.11356	2.8
397.18280	8.9
410.12311	2.3
423.16187	6.7
441.17300	100.0
442.14792	10.5
460.69061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.6
55.01852	2.4
55.05482	3.3
57.03415	3.0
57.07060	0.9
60.28987	0.8
61.02902	2.5
67.05497	4.8
68.99776	2.0
69.03434	11.6
69.07081	4.4
69.38081	7.1
70.71664	0.8
71.04967	1.3
72.08113	1.0
73.02908	1.5
79.05508	4.1
81.03426	5.0
81.07057	11.0
83.04994	5.2
83.08594	3.0
85.02906	23.0
86.09685	1.0
87.00828	10.9
88.99677	0.8
91.05445	3.2
92.34575	0.9
93.07038	6.8
95.04478	1.1
95.04966	12.7
95.08613	7.4
97.02896	6.3
97.06522	4.6
97.10105	1.3
99.04428	2.7
103.03919	3.2
105.01865	13.2
105.07038	5.7
107.08581	9.9
109.02885	4.3
109.06487	3.9
109.10164	7.4
111.04491	0.9
111.08049	2.3
117.06983	1.3
119.08575	8.8
120.72999	0.8
121.06458	2.5
121.10151	8.1
123.08036	3.0
123.11668	1.4
125.05920	1.1
125.09624	1.1
127.03928	11.7
129.01791	1.7
131.08568	1.1
133.09299	0.9
133.10135	9.7
135.04424	1.1
135.07983	2.8
135.11691	7.9
135.27817	0.8
137.05931	3.5
137.09593	6.8
139.11172	5.7
142.07718	0.8
145.05002	4.6
145.06511	0.8
145.10062	2.1
147.02879	1.5
147.08011	1.0
147.11629	3.3
149.09589	2.1
149.13188	3.8
151.11191	6.4
151.14738	2.4
157.10208	1.2
159.02859	1.0
161.13045	1.4
163.07538	2.2
171.11693	1.0
175.11095	1.9
175.14815	10.5
182.59270	1.0
185.04195	1.0
187.14696	1.1
189.03943	1.5
191.14240	3.2
193.11971	2.2
193.15910	10.0
203.05254	1.0
205.15804	1.7
212.39026	0.9
217.15887	0.8
221.11526	0.9
231.04984	2.4
231.17238	1.0
232.10677	1.0
235.16888	5.4
245.06407	4.6
259.16846	3.8
273.18445	1.8
277.18030	7.9
283.16794	1.1
287.03781	1.1
289.05252	12.2
301.17917	4.0
319.18832	2.2
332.82922	0.8
337.16718	0.9
337.20071	9.8
343.72906	0.9
355.17026	9.2
355.21173	1.5
379.20822	2.9
387.18030	1.4
397.18347	28.0
405.19153	5.0
423.20193	8.2
441.17059	100.0
442.17529	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01869	0.9
55.05498	1.7
57.03418	0.7
61.02930	0.9
65.31328	0.5
67.05524	1.0
68.99770	0.9
69.03085	0.5
69.03429	5.5
69.07066	5.2
71.04987	0.6
73.02905	1.1
79.05490	1.3
81.03416	3.4
81.07040	1.8
83.08594	1.1
83.62894	0.5
83.63416	0.4
85.02901	13.7
86.78930	0.4
87.00826	5.9
91.05472	3.0
93.07025	2.1
95.08612	3.8
97.02898	4.1
97.06496	0.5
99.04469	1.4
103.03941	0.8
105.01863	6.1
105.07022	7.0
107.08596	3.8
109.02874	3.3
109.10147	1.7
115.03898	1.0
117.07013	0.6
119.08580	26.3
120.43198	0.5
121.10139	2.6
123.08061	0.5
127.03915	6.9
129.01857	0.7
131.08577	0.9
133.10127	25.0
134.10928	0.9
135.11713	1.4
137.09619	0.8
145.04980	3.2
145.10123	2.1
147.11688	4.3
149.13216	0.7
155.83101	0.5
157.10097	0.7
159.02878	1.8
159.11655	0.9
160.12462	1.1
161.13269	0.6
173.13216	2.9
175.14822	100.0
176.15158	1.0
177.16370	1.8
187.14804	1.7
193.15860	6.2
205.15860	1.6
209.59761	0.6
217.15944	0.4
231.05016	1.0
283.16888	0.5
301.18091	1.2
361.20001	0.8
397.18320	1.0
405.19058	0.8
423.20288	1.4
441.16864	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	441.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01852	1.7
55.05516	3.4
57.03414	2.1
57.07049	0.8
57.43746	0.6
61.02898	2.2
65.03931	0.9
67.05505	4.2
68.99769	2.3
69.03426	9.4
69.07067	4.3
70.22600	0.7
71.01335	0.7
71.04969	1.4
71.56535	1.1
72.08129	0.9
73.02898	1.1
79.05486	4.9
81.03432	4.0
81.07054	9.8
83.04982	4.9
83.08632	3.0
85.02908	17.9
85.06496	0.7
86.09676	1.7
87.00827	10.0
91.05471	3.2
93.07047	6.3
95.04974	12.6
95.08611	7.3
96.72055	0.6
97.02896	4.5
97.06529	3.6
99.04444	1.6
99.08092	0.8
103.03959	4.1
105.01868	9.7
105.07035	4.2
107.08595	9.0
109.02901	4.1
109.06501	4.5
109.10150	8.4
111.04414	1.4
111.08041	1.9
117.06992	0.8
119.07825	0.7
119.08594	9.6
121.06467	1.2
121.10167	4.4
123.08042	2.3
123.11725	1.1
125.09460	0.8
127.03922	8.3
129.01794	2.4
131.08521	2.1
131.58231	0.6
133.10123	7.5
135.07996	2.7
135.11697	6.8
137.05994	4.1
137.09624	5.4
139.11142	4.0
143.08438	1.1
145.04942	2.9
145.10121	1.5
147.02846	1.0
147.07979	1.0
147.11623	2.4
149.09590	1.4
149.13246	3.0
151.11198	5.4
151.14742	1.5
157.10115	1.6
159.08018	0.9
159.11678	1.1
161.05936	0.8
161.09576	1.5
161.13277	1.1
161.60556	0.7
163.07466	1.7
173.09576	0.8
173.13208	1.7
175.11137	1.7
175.14839	10.3
177.08897	0.6
178.24783	0.7
179.43146	0.6
184.07272	0.7
185.04176	0.7
185.09680	0.6
185.13243	0.7
189.03870	1.4
189.12671	0.7
191.14293	3.1
193.12025	2.1
193.15906	10.5
203.05269	1.7
205.15891	0.9
215.14326	0.9
217.16188	0.6
227.05066	0.8
231.05011	1.7
231.17404	1.5
233.15282	1.0
235.13176	0.8
235.16908	6.1
245.06306	4.3
245.11719	1.0
259.16873	2.3
277.18002	7.3
283.16895	1.5
287.03690	1.6
289.02087	0.7
289.05283	12.2
301.18054	3.5
319.19037	1.7
337.20053	9.0
347.16367	0.7
355.17206	10.5
355.21127	1.7
377.08566	0.7
379.21213	3.3
380.79230	0.8
387.17706	1.1
397.18332	29.3
405.19180	3.5
423.20151	7.7
441.17123	100.0
442.17490	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10213	3.0
56.96573	31.6
57.03438	3.6
59.05005	6.8
62.60009	2.6
67.05511	13.6
67.98821	2.4
69.03438	6.2
69.07047	4.0
70.06565	4.6
71.56358	3.4
84.02415	2.8
84.96027	12.6
85.02921	8.5
91.05470	11.2
93.07072	2.9
97.02898	4.2
97.96819	13.6
98.96932	5.2
98.97588	100.0
109.02831	2.9
109.10159	7.6
110.97571	38.8
111.11707	2.9
112.99133	5.4
115.03957	3.3
116.98630	21.3
124.99079	6.6
128.98618	25.3
131.00220	3.5
134.99649	5.7
140.98567	8.7
143.00185	10.4
144.98090	4.9
146.99654	6.5
152.98581	10.7
158.99681	16.3
161.01231	6.3
165.02209	5.2
170.99660	12.1
177.00729	11.7
185.54140	2.9
189.00732	6.7
189.02272	5.7
201.00711	5.1
207.03326	24.7
219.01764	40.9
225.04385	7.6
237.02820	40.7
239.08589	4.4
239.58836	4.6
255.03882	3.4
309.06439	37.4
327.07550	97.3
350.09027	4.0
405.08447	4.2
441.11340	89.9
459.11353	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	441.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77473	0.8
51.87976	0.8
52.24963	0.8
56.96559	12.0
67.76970	0.9
70.74528	0.8
70.77374	1.2
70.77708	1.7
84.37382	0.9
84.96033	6.8
98.97584	100.0
110.97565	39.6
110.98339	2.0
112.99107	3.0
116.98621	20.2
124.99118	5.1
128.98604	18.6
131.00168	1.0
134.99646	2.2
135.67934	0.9
140.00177	1.1
140.98589	12.1
143.00162	13.6
144.98132	1.0
145.01781	1.0
146.99635	2.9
152.98590	9.2
155.00082	1.3
158.99661	44.7
161.01216	5.2
170.98181	2.0
170.99657	34.3
177.00711	17.7
179.02257	1.2
182.98041	2.0
182.99661	32.2
185.93057	1.1
189.00722	17.7
194.99669	1.8
195.01773	1.0
201.00703	56.2
203.02338	1.2
206.99899	1.0
207.01843	3.1
213.00764	4.1
219.01773	40.6
231.01770	4.1
237.02863	12.7
243.01755	23.7
249.02780	1.2
255.03937	1.5
255.80533	1.0
261.02826	89.2
273.02789	7.8
279.03882	50.6
291.03836	16.0
297.05151	1.9
302.05408	1.9
303.03925	1.4
309.04977	1.5
321.04956	41.6
333.04892	6.3
351.05942	8.4
381.07025	4.8
399.08121	4.2
436.13364	1.0
441.09103	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01870	6.9
55.05510	10.1
57.03439	15.6
57.07070	1.7
59.04995	2.8
61.02927	12.6
65.80703	0.6
67.05499	3.6
69.03429	36.1
69.07069	56.9
69.32085	5.2
71.01347	5.8
71.04984	2.7
73.02917	83.6
79.05481	1.8
81.03419	7.9
81.07073	3.2
83.05008	1.5
83.08643	1.5
85.02905	100.0
85.06509	0.7
87.00845	1.2
87.04492	3.8
91.03953	3.0
91.05488	1.6
93.07033	1.7
95.04973	1.0
95.08590	1.4
97.02892	59.7
97.06536	1.0
99.04440	4.1
101.02393	1.0
103.03933	3.6
105.01903	1.1
105.07034	1.6
107.04967	1.1
107.08614	0.9
109.02889	9.9
109.06535	0.7
109.10172	1.7
111.04464	1.5
111.11720	30.1
115.03929	29.2
119.08628	1.2
121.06528	0.8
121.10178	1.3
123.04453	0.6
123.11710	1.3
125.86272	0.8
127.03920	33.9
129.78596	0.6
132.06519	0.8
133.04964	35.9
135.11725	1.5
144.06543	0.7
145.04958	40.5
147.11728	1.4
150.07620	3.2
151.11176	0.8
153.12798	1.4
157.04976	1.3
158.86479	0.6
161.13446	0.7
163.06009	23.9
165.12804	1.3
177.12845	1.3
181.05058	0.9
189.12804	1.0
189.33504	0.6
193.05042	2.5
195.13858	1.2
199.06082	2.1
205.07095	0.7
207.13885	2.4
211.06015	1.3
217.07135	1.9
223.06030	7.3
225.14908	2.1
230.96106	0.8
231.04892	0.9
237.14944	1.6
241.07098	10.4
243.15944	3.3
255.16003	1.0
259.08151	14.9
273.17081	0.9
276.64499	0.7
277.09244	3.5
280.63995	0.7
295.10162	5.0
344.95929	0.8
347.56876	0.6
440.24374	2.5
441.17468	0.7
460.05783	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.0
55.05510	8.1
57.07069	10.0
66.21141	5.4
67.05177	6.2
67.05505	72.8
69.07063	12.8
71.58598	5.2
72.04516	80.1
79.05485	10.0
81.07060	100.0
82.31648	5.4
83.08634	6.4
83.68945	5.3
85.06570	5.2
89.06016	5.7
91.05482	8.8
93.07027	21.0
94.69664	5.7
95.08607	89.4
105.06987	8.1
107.08602	17.2
109.10158	31.7
121.10126	14.3
123.11695	15.0
134.59706	4.9
135.11609	6.4
137.09695	5.6
137.13243	12.3
147.11703	6.5
149.13206	11.6
154.37239	5.3
163.11217	5.8
173.13333	11.6
216.59856	5.3
243.21120	14.9
253.26703	6.7
261.22046	10.6
290.21136	23.8
293.24689	47.4
426.03976	7.3
440.36584	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	440.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28071	1.4
53.03942	2.7
55.01868	6.6
55.05505	7.5
57.03437	16.7
57.07084	1.9
61.02930	12.2
67.05499	8.7
69.03085	2.5
69.03435	41.2
69.07067	68.7
69.88922	8.9
71.01347	5.5
71.04999	5.7
71.46508	1.4
73.02918	76.5
79.05487	4.7
81.03425	12.9
81.07069	13.3
83.04967	3.1
83.08624	4.6
85.02908	100.0
85.06550	5.8
87.04469	6.6
91.03941	3.3
91.05509	4.7
93.07050	6.1
95.04968	2.3
95.08618	7.2
97.02895	56.0
97.06548	9.7
98.20831	2.8
98.97594	4.9
98.98217	1.5
99.04452	4.9
99.08088	2.9
101.71041	1.7
103.03988	3.3
105.07041	5.5
107.08612	8.1
108.25950	1.8
109.02891	10.6
109.06522	1.6
109.10154	4.1
111.04442	2.5
111.08075	8.9
111.11722	31.5
115.03929	23.3
119.08655	4.2
121.06512	2.5
121.10136	3.4
123.08054	1.9
123.11720	6.4
125.09671	2.0
127.03928	27.5
127.11188	3.2
129.12769	36.5
131.08571	1.6
133.04977	28.0
133.10149	8.2
134.10455	2.8
135.11728	3.6
137.06024	2.7
137.09630	4.5
138.09923	2.6
139.11192	2.9
141.12764	14.5
143.08549	2.5
145.04962	27.1
145.10097	2.9
147.08034	2.0
147.11679	2.7
148.07634	1.8
149.05980	2.0
150.07669	2.7
151.11183	2.4
155.10701	3.9
159.11607	2.5
161.09602	2.7
162.05536	2.4
163.06006	9.3
163.11156	1.7
165.12740	1.9
167.10736	1.6
169.12300	2.2
174.09225	2.0
177.09322	2.0
177.12816	3.0
184.07417	4.7
187.07545	1.7
187.13292	2.6
195.13768	2.7
197.11699	2.0
204.10155	4.1
207.13802	2.7
213.66653	1.8
214.08569	2.5
219.13779	3.0
223.06114	3.7
225.14879	3.9
237.14885	6.4
241.07147	7.0
243.15912	16.8
255.15929	7.6
256.13330	4.5
259.08182	5.4
273.16879	11.3
289.05362	8.0
291.18021	23.2
295.10205	2.2
300.16119	10.2
302.13876	10.0
315.13446	2.5
332.18466	1.9
346.16586	13.1
360.17914	7.9
378.19083	16.3
390.19199	3.1
404.20535	4.5
422.21829	5.6
431.17996	1.7
440.23853	18.8
441.17160	12.4
461.16702	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.4
54.39238	1.1
55.05519	8.4
57.07074	2.8
67.05511	11.4
69.07064	13.7
70.28069	5.1
71.08622	1.8
79.05486	6.8
81.07060	24.8
83.08630	7.7
86.10843	1.2
91.05482	8.6
93.07050	20.9
95.08612	54.8
97.10172	5.2
98.21463	1.5
105.07038	21.5
107.08598	42.8
109.10160	38.1
111.11714	1.7
119.08586	40.2
121.10147	34.6
123.11725	14.2
131.08562	2.3
133.10141	34.0
135.08081	1.6
135.11703	26.6
137.13264	5.0
139.07596	1.2
145.10101	6.3
147.11694	32.6
149.13268	19.0
151.07593	1.3
153.09106	8.4
159.11707	5.5
161.09764	1.3
161.13269	21.3
163.14828	18.3
167.10735	2.9
168.28725	1.2
171.11723	1.1
173.13298	2.3
175.14822	14.5
176.09009	1.4
177.16373	9.2
179.18080	1.4
187.14847	4.5
189.16391	54.0
189.18097	2.6
191.17957	89.2
193.12312	1.5
199.14737	1.5
201.16344	10.2
203.17963	100.0
205.19514	23.2
207.17480	3.0
213.16402	1.5
215.17928	5.0
217.19536	12.4
221.15334	1.7
221.19023	5.1
229.19534	2.7
231.17461	3.4
231.21094	5.5
235.16913	6.7
241.19653	1.1
245.22678	1.9
247.17015	4.8
249.18513	27.0
261.18503	2.3
275.17276	1.3
275.20004	1.5
279.96744	1.4
284.95654	1.2
393.35217	9.2
439.35889	36.4
451.00687	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51838	1.1
56.26571	0.8
58.99590	5.3
67.05488	1.5
69.07092	0.8
69.59000	4.0
76.02224	7.5
85.02902	1.4
85.71152	0.7
86.99072	1.3
97.02846	1.0
98.21460	2.1
100.02210	6.3
102.03779	1.0
105.00108	1.5
121.10222	0.9
121.65614	0.9
122.06081	1.1
125.62763	0.8
125.88886	0.8
138.05547	1.1
146.02711	9.0
152.01692	0.9
158.09560	1.4
164.07108	1.0
166.03322	0.9
168.07993	1.0
170.09676	1.5
172.07559	2.0
175.08701	3.6
186.09148	2.3
187.12189	1.0
188.03757	1.9
189.10254	2.2
195.70001	0.9
196.04231	0.9
196.07628	3.1
198.09239	5.5
199.08626	1.0
199.13383	1.1
200.07031	1.6
200.10843	1.5
213.10228	7.1
214.08638	3.6
215.11800	3.3
217.09740	3.9
225.10320	1.2
227.08310	1.0
227.11786	2.3
231.11276	1.0
235.10780	5.5
239.08357	1.5
240.09009	2.8
241.07310	1.6
241.09737	29.9
242.04854	1.8
242.08170	3.8
242.10408	1.0
243.11333	17.8
254.10522	2.3
255.11313	5.1
256.10806	0.9
258.12396	10.1
259.08151	1.8
259.10794	24.0
260.09192	2.1
263.69141	1.1
271.08923	1.2
271.13287	1.6
273.06750	1.0
273.12427	1.4
277.11777	0.9
283.10739	9.2
284.09058	1.7
284.14185	1.0
285.12357	12.9
299.08536	3.9
301.11816	29.5
302.10352	2.6
303.13361	4.2
316.11047	1.3
317.09970	1.1
317.13708	18.9
318.12750	4.4
319.12930	5.7
360.13690	1.6
362.11789	8.2
363.09949	4.5
404.12762	19.6
404.18082	1.4
405.11115	6.6
422.13815	100.0
423.12387	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	439.3571
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05510	10.1
57.07074	8.7
67.05510	22.4
69.07063	36.0
71.56523	4.0
71.56953	3.5
78.42528	3.6
79.05479	6.9
81.07059	35.4
83.04958	5.1
83.08607	11.6
85.06530	6.4
89.06016	15.0
91.05502	11.4
93.07060	26.2
95.08608	74.7
97.10195	8.7
105.06990	17.6
107.08598	40.8
108.72092	3.8
109.10154	46.0
111.11713	14.0
111.46335	3.7
117.07036	4.5
119.08583	34.2
121.10146	37.4
123.11740	24.2
130.14548	3.2
131.08553	8.7
133.08665	7.3
133.10107	29.4
135.11702	29.5
137.09601	5.7
137.13246	12.6
143.06525	3.4
145.10139	18.9
147.11707	24.7
149.09601	5.4
149.13258	16.8
153.94638	3.4
157.10107	9.2
159.11642	16.8
161.13278	12.4
163.11176	4.3
163.14778	8.9
165.12689	5.9
170.38452	4.1
171.11690	8.1
173.13306	21.4
175.14796	11.0
177.16402	8.2
185.13326	4.7
187.14755	7.4
189.16399	12.3
191.17976	24.9
193.19495	4.8
199.14725	5.7
201.16386	8.6
203.17918	14.4
205.15875	8.1
205.19510	11.3
211.14766	4.0
215.17894	4.9
217.15759	4.5
217.19443	6.4
219.17390	8.3
229.15900	10.0
229.19646	4.5
231.17450	4.1
233.15390	17.5
235.16943	8.2
239.14938	12.0
240.15228	9.7
243.21065	4.8
245.18987	4.7
247.16869	4.5
257.18924	5.6
271.20670	4.1
325.28876	4.5
343.25916	4.0
361.27164	4.3
403.33597	6.8
421.34723	58.5
439.35770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47504	0.9
53.03943	1.4
55.05511	7.3
57.07078	11.2
67.05508	23.1
67.53702	1.0
69.06691	0.6
69.07066	17.3
69.30417	1.1
71.08621	3.4
75.10442	0.9
79.05497	7.9
81.07061	73.4
81.66016	0.9
83.08624	11.0
85.10180	1.8
89.06036	2.5
90.06411	1.1
91.05472	5.9
93.07038	13.0
95.05022	1.0
95.08612	100.0
97.06601	0.9
97.10182	5.7
98.20742	2.5
101.27618	1.0
102.06010	0.8
105.07043	11.2
107.08609	12.8
109.10162	42.3
111.11742	2.2
112.64183	0.9
117.07042	2.3
118.44492	1.0
119.08584	9.8
121.10143	9.2
123.11718	36.6
125.13296	1.1
129.06970	2.4
131.08566	7.3
133.08594	1.4
133.10133	8.6
135.11685	8.0
137.13261	59.7
143.08571	4.0
145.10127	9.7
147.11703	7.4
149.13275	7.2
149.62579	0.9
151.14799	4.4
157.10143	4.6
159.11697	7.1
161.13286	3.9
163.14804	3.0
165.09201	1.1
169.10196	1.0
171.11710	5.9
173.13260	6.8
175.14841	5.9
177.16454	1.8
179.17944	9.9
185.13318	4.7
187.14845	6.3
189.16411	1.6
191.18021	1.6
193.19504	1.7
197.13228	1.0
199.14853	6.4
201.16351	6.5
203.17992	3.2
213.16397	12.2
215.17973	9.8
217.12341	1.2
217.19472	1.7
219.13829	1.2
227.17902	2.2
229.03946	1.3
229.19368	1.5
231.13597	1.2
233.15364	1.6
239.14905	1.7
240.15161	1.4
241.19548	8.1
243.21114	7.5
245.15392	3.2
255.21149	5.6
257.22665	1.6
259.16977	9.7
261.18542	1.4
269.22723	4.8
287.20062	2.6
289.21548	1.6
301.21716	1.1
315.23096	1.4
393.35172	21.5
421.34714	2.1
422.35532	1.5
439.31369	7.0
439.35745	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	439.3572
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05517	2.6
55.05982	0.5
57.07063	1.3
59.05005	1.1
59.43999	0.5
60.35527	0.5
67.05511	5.4
69.03423	1.2
69.07060	4.9
69.71600	2.1
70.78602	0.5
71.04946	0.6
72.83137	0.6
77.61091	0.5
78.81341	0.6
79.05470	1.3
81.07059	7.4
83.04970	1.6
83.08617	2.6
89.06022	1.0
91.05470	1.9
93.07047	5.8
95.04984	1.6
95.08607	43.0
97.06553	0.7
97.10152	0.8
98.20817	1.0
105.07059	2.7
107.08591	7.5
107.21146	0.6
109.06503	1.7
109.09448	1.0
109.10155	10.3
111.08056	0.6
111.11717	1.6
119.08569	5.8
121.06518	1.1
121.10143	7.5
123.08069	3.4
123.11697	4.6
125.09672	1.1
131.08551	1.5
133.10136	7.5
135.08076	2.2
135.11691	5.1
137.09608	1.2
137.13211	2.9
143.08504	0.8
145.10162	3.2
147.11690	3.4
149.09624	5.8
149.13269	3.5
151.11198	1.0
157.10156	1.4
159.08025	1.2
159.11629	2.8
161.09673	1.4
161.13251	2.3
163.11153	1.5
163.14853	1.2
163.61034	0.6
165.12773	0.8
169.10146	0.6
171.11687	1.7
173.09610	1.3
173.13234	2.1
175.11198	1.5
175.14876	2.8
177.12807	1.8
177.16409	1.5
183.11717	0.8
185.13231	0.9
187.11139	0.5
187.14857	1.8
189.12759	1.4
189.16371	4.4
191.14185	0.6
191.17947	2.9
197.13268	0.7
199.11201	0.6
199.14819	1.6
201.16327	1.0
203.17891	1.3
205.15947	1.4
205.19487	1.2
207.17531	1.4
211.14798	1.1
213.16423	0.8
215.14311	1.9
215.17946	2.0
217.15872	1.8
229.15950	1.0
231.17400	1.6
233.15324	1.4
233.19054	1.7
239.14896	0.7
240.15302	0.8
243.17410	1.2
255.21094	0.6
259.20551	1.0
261.22058	0.7
269.22714	0.8
283.20599	1.7
287.23669	2.3
301.21683	1.3
301.25107	0.7
309.25928	0.7
311.23608	0.9
313.25235	1.7
327.26782	5.1
351.30460	0.8
357.27924	0.7
367.30017	0.9
381.31543	2.6
393.31186	1.3
403.33661	1.6
421.34659	33.1
439.35718	100.0
440.36084	1.8
454.54541	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.2
55.05514	3.3
56.08007	2.1
57.03424	5.2
61.02918	3.1
65.03941	2.8
67.05509	78.4
69.03424	16.4
70.06577	2.5
70.36655	3.8
71.01340	2.7
71.04990	4.2
73.02921	16.4
76.02225	2.0
79.05477	3.2
81.03423	4.6
81.07051	9.1
83.08623	10.1
85.02431	2.8
85.02911	37.2
85.06549	21.4
87.04469	3.0
93.06393	1.7
97.02892	25.2
98.20885	2.4
98.97569	2.3
99.04415	1.9
103.03967	1.9
107.04893	1.9
107.08588	2.6
109.02874	4.4
109.10162	100.0
115.03921	10.4
121.02893	4.2
127.03887	10.6
127.10288	3.5
127.11205	53.6
133.04965	10.0
145.04965	12.3
146.02666	2.3
163.06032	3.8
178.23122	2.0
181.04958	2.3
207.02884	2.7
213.10274	2.9
241.07237	3.8
241.09732	8.0
243.11301	5.3
258.12369	2.6
259.10770	4.2
283.10831	2.5
295.06018	5.6
301.11859	5.5
307.06082	5.1
317.13672	5.9
322.08179	2.2
325.07013	10.5
363.09628	2.3
365.10410	2.7
375.08893	2.1
391.07990	4.1
403.08270	3.9
404.12589	3.5
421.09103	5.4
422.13849	24.7
439.10196	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	439.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03636	1.3
53.03924	1.4
55.01863	4.6
55.05505	2.2
57.03433	6.8
61.02917	2.8
65.03943	4.6
67.05506	100.0
69.03436	15.3
69.07070	2.8
71.04971	1.6
71.56092	1.4
73.02918	10.9
81.03436	2.7
81.07063	6.7
85.02908	35.7
85.06509	1.4
87.04468	1.4
91.03992	1.4
91.05485	2.3
97.02890	23.5
99.04454	2.2
103.89801	1.3
107.08599	1.4
109.02914	3.2
109.10159	86.9
110.07154	1.5
115.03944	8.9
119.04984	2.1
121.02833	7.4
127.03915	10.0
127.11193	19.2
133.04985	10.4
145.03069	1.7
145.04953	10.9
154.08566	1.3
155.14308	1.7
163.06041	4.6
177.01788	1.3
179.03426	1.8
189.01837	3.4
195.02951	2.3
201.05618	1.3
207.03027	1.7
223.06116	3.2
229.04948	2.2
259.08124	2.3
270.07672	1.5
276.50143	1.4
279.06693	1.6
283.05893	1.7
291.10504	1.6
294.05176	2.4
295.05988	9.6
296.06659	1.9
297.07565	1.8
307.05972	11.7
308.06976	1.8
321.07535	3.5
322.08246	3.9
325.07056	25.8
337.06998	4.9
337.10590	1.6
347.09042	2.8
351.04877	1.6
351.08588	2.9
365.10184	8.2
375.08640	5.3
379.07971	2.2
391.08365	9.0
393.09567	1.7
403.07974	7.8
409.08978	4.7
421.09158	11.8
422.13547	2.7
439.10226	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.3
55.01881	1.8
55.05514	11.6
56.96560	3.0
67.05510	6.1
69.03428	11.9
69.07079	3.4
71.04995	3.7
71.12070	3.9
74.95444	2.1
75.29937	1.4
79.05499	4.1
81.03417	14.2
81.07053	11.2
83.04980	11.6
83.28638	1.5
85.02898	6.8
85.06544	4.5
91.03976	1.6
91.05490	8.7
93.07042	6.2
95.04987	4.5
95.08623	5.6
97.02896	10.5
97.06524	9.7
97.25899	1.8
98.97575	2.0
99.04478	2.6
105.07042	7.2
107.04943	2.0
107.08584	8.3
109.02882	52.2
109.06499	3.4
109.10155	2.0
111.04458	2.8
113.06002	44.5
114.09177	3.1
115.05418	2.4
117.05483	16.8
117.06990	2.9
119.08570	8.1
121.06506	5.8
121.10132	3.5
123.04459	2.4
123.08067	3.3
127.03934	5.6
128.06239	3.5
129.06996	4.9
131.08574	7.1
133.06493	1.8
133.10135	3.0
135.08052	37.0
136.36298	1.6
137.06003	3.2
141.05463	72.1
141.06969	3.2
142.07784	6.0
143.08557	9.7
145.06525	3.5
145.10159	2.4
147.08066	6.0
147.11685	2.8
149.09578	7.9
149.23288	1.8
151.07434	1.7
153.06990	5.9
154.07767	1.9
155.08527	6.0
156.09406	9.4
157.06462	2.1
157.10077	7.9
158.07297	3.9
159.06726	2.8
159.08083	9.2
159.11713	7.4
161.09618	2.5
163.07570	2.6
165.07010	2.4
165.77515	1.6
166.07808	6.4
167.08597	1.8
168.09346	9.7
169.06511	4.4
171.08081	11.3
171.11711	10.1
172.08862	5.9
173.09637	7.4
173.13327	3.4
175.07584	5.1
175.11223	3.5
181.10173	7.2
182.07304	1.7
183.11719	9.2
184.08798	10.6
185.09618	14.7
186.10490	2.8
187.07657	2.0
187.11180	10.1
189.09135	2.9
189.12762	2.0
191.14294	4.5
194.07353	2.7
197.05875	3.0
197.09598	2.4
199.11180	48.5
201.12708	4.5
201.15979	3.3
203.10666	22.9
209.09634	9.0
212.08318	14.8
215.07466	2.8
215.10675	63.7
215.41896	1.6
217.12250	5.3
227.10657	59.7
233.11757	21.2
245.11742	100.0
263.12772	18.7
371.14905	27.4
375.30615	1.9
403.17371	3.6
439.23123	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	439.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53562	0.2
53.03943	0.6
55.01870	0.4
55.05512	1.8
56.28487	0.2
57.03438	0.6
57.07074	0.4
59.04980	0.3
61.02910	0.3
62.09289	0.2
65.03932	0.7
67.05508	3.6
68.99784	0.3
69.03424	5.1
69.07067	1.8
70.90347	0.5
70.90717	0.5
71.04979	0.3
73.02921	0.3
75.22946	0.2
79.05498	5.3
81.03417	2.2
81.07056	5.2
82.01170	0.2
83.04985	2.5
83.08633	0.6
85.02910	2.3
85.06538	0.4
87.00821	1.3
88.41821	0.2
91.05478	5.5
92.06322	0.2
93.07040	3.1
95.04967	3.3
95.08628	1.9
97.02899	1.2
97.06532	0.4
98.09695	0.4
98.53066	0.2
99.04458	0.4
100.11244	0.2
103.05514	0.3
105.01867	1.0
105.07034	7.5
107.04969	3.7
107.08595	17.5
109.02910	1.2
109.03531	0.2
109.06503	2.0
109.10157	6.0
111.04456	0.5
111.08092	0.5
115.05443	1.2
117.07025	1.5
118.07799	0.4
119.08589	3.6
121.06498	1.6
121.10146	11.5
122.07294	4.9
123.04427	0.5
123.08083	1.1
123.11672	0.3
125.05974	0.2
127.03932	3.0
129.01881	0.3
129.05519	0.4
129.07014	0.3
131.08589	2.3
133.10130	100.0
134.10474	1.1
135.04410	0.4
135.08055	5.6
135.11653	1.2
137.06065	1.3
137.09616	50.1
143.08586	0.8
144.09315	0.3
145.04968	0.6
145.10136	1.6
147.08023	0.5
147.11671	1.8
149.09624	4.1
149.13255	8.1
151.11107	0.3
157.10069	0.3
158.10863	1.4
159.08115	0.4
159.11688	0.3
161.05994	0.3
161.13243	0.5
163.11104	0.6
163.14816	1.5
171.11685	0.3
173.13263	6.3
175.11206	0.6
182.15364	0.3
185.13242	0.4
187.11118	0.4
189.12718	0.9
191.14307	42.4
192.14635	0.5
200.81906	0.3
201.12845	0.3
203.14229	0.5
207.13748	0.3
213.03882	0.8
215.14435	0.4
221.79305	0.3
231.05023	0.8
231.13705	0.3
233.15419	0.7
245.15421	0.4
253.42441	0.3
273.14868	0.6
281.15445	0.2
299.16443	0.5
317.17374	0.4
335.18466	0.9
353.19553	0.3
377.19733	0.4
395.16470	0.4
403.17319	0.8
421.18515	0.8
421.24033	0.6
439.18301	0.4
439.24374	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35884	2.3
51.02337	2.3
53.03943	10.9
55.01874	9.0
55.05516	17.5
57.03445	11.1
57.07072	12.2
57.24847	2.1
61.02913	3.1
65.03952	2.5
67.05503	30.6
68.99780	7.4
69.03431	32.8
69.07076	20.3
70.06590	5.1
71.01343	4.5
71.04993	32.6
71.56181	2.3
71.56592	2.9
73.02911	4.2
79.05493	24.7
81.03423	39.5
81.07059	68.5
83.04982	23.5
83.08627	13.4
85.02912	43.8
85.06536	13.8
86.09731	4.1
87.00829	18.8
87.04482	4.1
89.51378	1.9
91.03921	3.0
91.05477	27.5
93.07050	34.9
94.90214	2.0
95.04980	29.8
95.08613	50.1
97.02890	80.5
97.03520	4.2
97.06533	21.3
97.10179	2.8
98.97589	5.3
99.04456	10.7
99.08110	5.0
103.03934	3.5
103.05502	3.4
105.01878	8.7
105.04533	2.2
105.07034	56.2
107.04972	11.1
107.08601	62.0
109.02885	40.4
109.06520	41.6
109.10162	39.9
111.04465	21.9
111.08073	27.1
115.03912	6.1
115.05482	2.9
117.07014	10.0
119.08585	49.3
121.06497	15.3
121.10146	43.1
123.04427	7.7
123.08068	19.7
123.11712	10.3
124.07565	3.4
125.05983	5.3
125.09637	14.1
127.03073	4.3
127.03915	40.6
129.06995	8.2
131.08578	31.9
133.06480	7.1
133.10133	42.1
135.04358	3.5
135.08055	26.0
135.11719	11.9
137.05981	15.8
137.09607	8.1
137.13222	7.2
139.07584	4.4
139.11214	3.4
143.08560	10.1
145.04987	8.3
145.06491	5.4
145.10092	17.0
147.08038	16.6
147.11671	19.4
149.05989	8.5
149.09637	13.1
149.13232	18.1
150.10390	3.1
151.07574	14.9
151.11223	3.6
153.09073	14.7
155.14293	36.5
156.09277	2.8
157.10115	4.5
158.10857	5.1
158.99635	2.8
159.02881	7.1
159.11681	9.9
161.05948	7.1
161.09648	7.8
161.13229	6.8
163.07588	4.4
163.11189	9.7
163.14815	8.7
165.09113	4.1
165.12732	4.3
167.07025	6.5
167.14305	4.8
169.10020	4.3
171.02934	3.1
171.08101	2.9
171.10175	5.9
171.11694	7.1
173.06001	3.9
173.09653	7.1
173.13264	45.1
173.15384	18.7
175.07500	3.8
175.11227	4.7
175.13297	5.4
175.14828	100.0
177.09074	4.7
177.12810	2.7
179.07068	5.6
179.10620	3.1
181.12276	4.0
185.13344	4.1
187.11118	2.7
187.14771	3.7
189.03922	4.2
189.12785	13.6
191.07072	6.9
191.10698	5.3
191.14314	60.9
191.16388	14.9
196.07045	2.7
201.09111	5.6
203.07001	2.7
203.14317	3.4
206.07681	2.5
207.13808	7.9
209.15372	19.6
211.14803	2.6
213.03943	8.0
213.12613	3.7
214.90105	2.5
215.14392	3.2
217.12338	3.1
219.13782	3.5
223.11354	2.8
225.14861	5.1
231.04991	5.8
231.13745	3.0
233.15468	4.4
255.13612	2.5
257.15302	6.5
259.14502	4.6
261.11298	4.0
271.16833	2.5
275.16739	5.8
281.15421	3.4
299.16376	6.5
313.09500	3.2
317.17407	6.9
335.18451	10.3
377.15591	3.0
379.17776	2.9
403.17459	5.0
421.18762	25.2
439.15356	25.8
439.19739	28.9
446.09723	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01864	2.3
55.05500	4.5
56.96566	2.2
57.03436	1.6
57.07083	9.9
61.02925	1.9
65.03912	1.5
66.60128	1.0
67.05504	8.6
68.99770	1.1
69.03432	13.7
69.07069	7.1
69.58266	4.7
69.58673	1.5
70.06570	2.4
71.01342	1.2
71.04982	3.7
73.06534	1.2
76.14471	0.9
79.05506	7.5
81.03410	8.7
81.07059	19.3
83.04977	5.4
83.08604	3.1
85.02914	11.7
85.06545	18.9
86.09706	1.2
87.00833	4.1
88.53732	1.0
91.05476	9.7
93.07038	8.0
95.04967	4.3
95.08611	14.8
97.02882	4.8
97.06542	2.3
97.10174	2.6
98.97591	2.5
99.04469	1.7
99.08096	7.8
102.73595	1.0
105.01868	2.8
105.07047	11.2
107.04977	4.9
107.08599	22.9
108.53819	1.1
109.02879	7.6
109.06496	4.1
109.09472	1.3
109.10168	12.9
111.08077	2.0
111.20573	1.0
117.07039	2.7
119.08578	6.5
121.06501	3.9
121.10146	14.1
122.07269	5.7
123.08055	3.6
123.11724	1.6
125.09682	1.6
127.03925	13.1
131.08595	5.9
133.10133	100.0
135.08041	8.0
135.11684	3.1
137.05988	2.6
137.09622	44.9
137.13217	6.2
145.05008	2.3
145.10126	3.4
147.08034	1.7
147.11676	3.4
149.09608	7.7
149.13254	10.1
151.11194	3.2
155.14313	19.8
157.10191	1.2
158.10867	1.6
158.99643	1.3
159.11710	1.4
161.05977	1.2
161.09592	1.2
163.11255	1.4
163.14789	5.7
173.13246	5.9
173.15367	7.2
175.11151	1.4
181.15877	2.0
187.14789	2.1
189.12782	2.0
191.14314	52.3
191.16402	13.6
201.12811	1.5
205.15933	1.6
209.15384	1.6
213.04005	2.1
223.16890	2.2
231.05045	2.5
241.17979	4.4
241.21614	2.2
259.19019	1.3
265.11206	1.1
299.16306	1.6
335.18753	1.3
403.17651	1.2
421.18732	2.2
439.19162	6.3
439.25021	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	438.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
53.09309	0.3
55.01641	0.5
55.01871	2.9
55.05508	1.2
57.03428	1.6
57.07079	0.7
59.05001	1.3
61.02932	2.3
67.05522	0.9
69.03429	6.1
69.07068	3.8
71.00495	0.5
71.04986	1.2
71.08633	48.7
73.02920	2.5
73.47913	0.4
74.70020	0.4
77.91095	0.4
79.05479	0.5
79.40174	0.5
81.03416	7.1
81.03857	0.5
81.07059	1.1
85.02908	16.5
87.00833	8.4
87.04474	0.5
91.03976	0.5
95.08600	1.1
97.02896	9.8
97.06531	0.7
99.04456	2.9
99.08096	100.0
105.01875	7.9
109.02889	5.5
109.10165	0.5
114.39680	0.4
114.92403	0.5
117.01837	0.8
127.03922	11.0
129.01872	0.6
129.12759	11.6
137.05986	0.5
142.80284	0.4
145.04973	5.4
145.93533	0.4
155.08591	1.6
155.14261	2.3
159.02939	3.0
161.03099	0.4
161.04474	0.5
163.11238	0.5
173.15379	70.6
213.03906	0.4
231.05058	1.9
249.05988	0.8
251.74420	0.5
301.13104	0.7
337.48813	0.5
352.15445	0.4
420.23331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79814	1.8
53.03937	6.0
55.01859	1.5
55.05511	16.4
57.07076	3.5
59.05006	1.5
67.05172	2.4
67.05505	31.4
69.03435	1.6
69.06776	1.6
69.07078	15.9
69.50304	11.8
71.08633	2.9
79.05493	63.8
81.07058	35.8
83.08616	8.9
85.06539	3.6
89.06024	30.3
91.05483	26.6
93.07045	90.5
95.04955	4.5
95.08607	31.9
97.06540	4.0
97.10159	4.8
98.21532	1.6
99.08091	1.9
101.06018	1.9
105.04504	1.8
105.07037	17.4
107.08592	48.5
109.06546	1.9
109.10150	18.4
113.06025	5.3
116.58671	1.4
117.07010	4.9
119.07939	1.5
119.08596	15.4
121.06497	1.5
121.10142	48.4
123.08085	2.7
123.11734	6.3
125.09631	2.6
131.08543	7.7
133.08609	19.0
133.10126	18.7
135.08080	2.1
135.11699	46.7
137.09590	2.1
143.08568	4.3
145.10112	8.0
147.11700	9.3
149.09631	3.0
149.13251	26.9
151.09700	1.6
157.10106	4.0
159.11707	8.2
161.13251	7.7
163.11163	3.9
163.14819	7.8
171.11667	3.8
173.13274	4.7
175.14836	6.1
177.11336	3.2
177.12717	2.8
185.13246	3.1
189.12679	2.4
195.12184	1.7
199.14832	5.0
213.16418	2.7
231.21037	2.9
235.16879	1.8
239.12555	2.6
239.14915	35.2
241.19582	5.9
259.20557	12.8
291.23184	100.0
292.23599	1.8
421.34628	1.6
438.20175	1.8
438.34763	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	439.1014
Annotation	5'-Demethoxycadensin G
Peak:m/z	Relative Intensity
50.62570	0.5
53.03936	1.6
55.01863	1.5
55.05511	0.6
57.03440	1.1
60.58266	0.6
61.02907	0.6
66.99139	0.5
69.03430	4.0
69.81950	2.6
70.06592	2.4
71.01360	0.7
71.04987	2.4
72.08170	0.7
73.02898	0.5
76.27852	0.5
79.05478	0.6
80.05020	1.2
81.03421	14.1
81.07043	0.8
84.08147	1.2
85.02917	3.4
86.09695	0.9
87.04453	0.6
96.04454	0.7
97.02872	1.3
98.97575	0.9
98.98475	10.8
99.04446	5.6
109.02839	0.6
109.06528	0.5
109.10141	0.7
122.98427	1.0
124.07593	1.4
127.03971	1.1
132.08086	0.8
137.05963	0.9
140.99490	1.5
145.05040	0.6
145.07625	0.8
147.04440	0.6
147.09166	2.0
149.05948	0.7
154.08580	0.6
157.07579	3.1
158.08296	0.6
159.09183	4.9
164.06982	0.6
170.07124	0.6
171.09187	1.6
172.08699	13.1
173.07127	2.0
174.05431	0.6
175.08723	3.5
177.05385	1.2
183.09146	0.9
184.08699	3.9
185.10878	0.8
186.10339	0.8
190.09703	0.8
194.08554	0.7
197.09413	1.1
197.10936	1.1
198.06627	3.5
198.10286	4.5
199.08751	0.6
199.12477	0.8
200.08179	1.6
200.11835	0.5
209.10825	2.0
210.10277	3.2
211.11015	1.0
212.08105	0.7
212.11856	1.5
213.08998	0.8
214.09761	3.0
215.08089	0.5
216.07683	6.7
219.07542	0.8
222.10309	0.6
224.11795	4.9
225.10170	1.1
226.09758	2.7
226.13297	0.6
227.11887	1.0
228.11469	0.6
229.08492	3.9
229.12149	0.8
236.11844	1.1
240.11304	0.5
243.06252	0.7
243.08798	13.6
244.07193	0.7
252.11377	2.0
254.12860	1.5
259.10721	0.9
261.10126	0.8
265.34177	0.5
270.12421	1.6
277.11960	1.0
277.15536	1.4
285.09814	0.6
287.36331	0.5
295.04868	0.6
297.09866	1.5
298.11819	2.1
307.08463	1.1
316.13101	1.1
323.11322	4.5
334.09494	3.2
341.12454	14.7
350.08740	1.0
351.07669	0.6
359.13495	6.5
378.08435	1.2
379.08658	2.1
396.09604	11.2
397.08017	2.7
403.08127	2.7
421.09070	10.8
422.08084	0.8
439.10175	100.0
439.15427	5.1
440.10953	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.2
57.07075	4.3
65.66795	1.6
67.05516	17.2
69.07074	15.0
69.21382	3.1
69.21774	15.9
71.04996	2.1
79.05487	8.8
81.07065	40.6
83.08624	8.8
85.10198	1.9
85.94083	1.4
85.94600	1.5
90.53604	1.4
91.05483	10.8
93.07064	21.2
95.04977	2.4
95.08612	75.4
97.10152	4.6
105.07045	17.3
107.08602	29.3
109.10169	24.4
117.07030	1.7
119.07794	3.4
119.08587	33.5
121.10152	21.2
123.11718	12.9
129.07043	2.5
131.08585	11.5
133.10130	22.6
135.11670	11.8
137.13304	9.5
143.08598	6.4
144.09227	1.6
145.10129	37.4
147.11705	12.7
149.13292	13.1
151.14806	8.6
153.09128	2.2
156.09468	1.6
157.10168	7.8
159.11684	16.6
161.13283	10.4
163.14876	8.4
166.88182	1.7
169.10173	5.4
171.11650	13.9
173.13274	12.2
175.14844	24.9
177.16437	7.1
183.11771	4.6
185.13312	6.5
187.14818	8.6
189.16431	19.1
191.17961	8.9
195.11688	1.5
197.13260	2.4
199.11488	2.0
199.14845	8.5
201.16418	21.4
203.17966	16.2
205.19623	1.8
211.14832	3.3
213.16385	7.5
213.82043	1.5
215.17969	9.7
217.12328	2.6
217.19547	7.3
219.13965	1.9
220.05205	1.5
225.16399	3.6
227.17931	3.7
229.19627	4.6
231.17447	2.2
239.17952	8.6
241.19572	13.5
243.21075	3.6
247.16901	7.5
253.19540	4.3
255.21088	2.8
259.17007	3.9
259.20541	2.9
267.21109	3.2
269.22641	2.2
273.18622	3.6
281.22540	1.8
285.18600	9.5
287.20123	4.6
295.24319	6.8
299.20078	4.4
300.86487	1.6
307.24451	1.6
313.21695	2.4
335.27509	4.5
353.24933	2.8
391.33591	20.7
419.33459	2.6
437.20764	3.4
437.34259	100.0
438.34454	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.05515	10.6
56.80937	1.9
57.07067	4.9
67.05506	20.5
69.07068	18.9
69.47177	13.0
79.05496	12.8
81.07059	42.9
82.16553	1.8
83.08626	13.1
91.05497	12.3
93.07057	30.5
95.08611	77.7
97.10191	3.8
105.07032	28.0
107.08597	40.8
109.10162	43.1
117.07016	4.2
119.08583	57.4
121.10153	30.8
123.11721	27.7
129.07031	3.4
131.08588	20.6
133.10126	26.7
135.08136	2.0
135.11687	24.0
137.13258	21.1
143.08556	6.3
144.09355	2.9
145.10109	26.0
147.11690	20.0
149.13261	29.7
151.14809	2.8
153.09009	2.3
157.10089	11.1
159.11688	24.6
161.13246	16.9
163.07553	4.8
163.14815	7.0
169.10143	5.1
171.11676	8.4
173.13274	15.6
175.14827	15.7
177.09154	3.0
177.16380	10.6
179.17938	2.2
183.11737	6.9
185.13254	6.6
187.14803	14.9
189.16452	12.8
191.17950	25.2
197.13312	5.1
199.14763	13.2
201.16406	38.1
203.17986	21.4
205.19495	8.6
211.14874	4.6
212.15480	2.4
213.16408	20.5
215.14384	2.1
215.17972	10.0
217.19447	4.9
219.13850	9.0
219.17487	2.1
225.16473	3.7
227.17979	6.9
229.15782	3.0
231.21025	4.6
233.15375	4.9
239.17931	10.4
241.19507	9.6
243.21146	4.3
245.15471	9.1
247.16980	12.1
253.19453	9.0
255.21190	4.4
257.22769	4.1
259.16931	12.7
267.21066	2.6
269.22653	4.4
271.16888	3.5
273.18576	4.1
285.18442	9.8
287.20099	10.0
295.24268	2.4
299.20129	9.6
327.23318	2.0
355.26413	1.8
391.33533	24.5
419.33139	2.3
426.41119	2.1
437.34183	100.0
438.34296	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	437.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
55.01867	13.3
55.05514	29.1
56.96576	3.0
57.03431	7.4
57.07065	1.8
59.05013	1.5
60.57676	1.4
61.02898	2.6
62.53009	1.5
63.34929	1.5
65.03937	2.1
66.69748	1.6
67.05508	54.6
69.03137	1.9
69.03439	16.5
69.07072	32.2
71.04981	4.9
79.05496	42.5
81.03426	28.7
81.07059	39.8
83.04972	5.9
83.08624	14.6
85.02909	20.0
86.09710	2.1
91.05489	46.7
93.07051	44.3
95.01339	3.3
95.04985	11.9
95.08610	34.7
97.02890	12.3
97.06530	23.2
97.10176	12.7
98.21621	3.7
98.97593	3.3
99.04460	6.2
103.04014	2.6
103.05462	2.7
104.10728	4.1
105.07034	49.3
107.04966	17.7
107.08600	38.8
109.02891	13.9
109.06525	6.0
109.10166	22.9
111.04416	2.6
111.08023	4.2
111.50859	1.7
117.07014	17.6
119.08578	33.8
121.06522	7.7
121.10144	18.7
123.04414	3.1
123.08065	6.3
123.11668	3.6
125.05968	1.6
125.09645	13.7
127.03918	27.2
128.06238	1.8
129.06998	5.6
131.08554	22.5
133.06477	3.3
133.10143	25.0
135.08083	6.8
135.11681	13.2
137.05962	3.1
137.09622	4.7
141.07019	3.7
141.37123	1.8
143.08574	8.8
145.05042	1.6
145.06487	5.5
145.10139	27.8
147.04427	1.9
147.08026	4.5
147.11699	17.7
149.01239	3.8
149.09618	22.8
149.13264	3.9
151.11095	3.5
153.09120	2.0
153.12688	2.0
155.08531	2.6
157.06706	1.7
157.10136	6.6
159.08022	2.1
159.10533	2.4
159.11679	14.0
161.09637	4.2
161.13231	6.4
163.11186	20.3
165.09077	2.7
169.10184	5.0
171.11743	4.5
173.09615	4.4
173.11821	4.0
173.13274	6.8
175.11194	3.3
177.12743	5.7
181.10045	1.8
181.12190	2.4
183.11679	6.0
184.07343	6.1
185.13306	2.1
187.11143	4.7
187.14813	2.0
189.11227	11.1
189.12749	3.5
191.10721	2.1
193.12097	2.1
197.09618	2.6
197.13292	4.6
201.12685	2.7
213.11107	1.9
213.12881	2.4
213.16370	1.7
215.10689	2.0
227.12741	14.8
229.19485	3.7
229.28528	2.3
231.13634	2.5
239.17865	4.3
240.10133	2.3
247.20544	5.6
257.18991	13.9
275.20084	100.0
287.19925	2.8
293.13293	4.9
293.21207	3.7
293.63400	4.0
299.19931	3.4
317.21133	3.2
321.02036	1.8
335.21985	2.2
365.21091	2.2
383.22171	7.3
401.23117	6.8
419.24350	17.8
437.25458	34.5
437.31650	2.5
437.34076	3.4
438.26398	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	436.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34295	1.9
53.03934	2.4
54.45286	2.0
55.05508	9.5
57.03437	3.4
57.07072	1.8
58.06088	1.5
67.05508	25.4
69.03405	4.1
69.07068	20.0
69.69078	1.6
69.73268	3.5
69.73665	9.0
71.04982	6.9
75.56316	1.7
79.05479	10.2
81.07061	33.0
83.08576	3.8
85.02905	5.9
85.06544	73.1
91.05481	12.5
93.07051	21.7
95.04955	2.4
95.08607	100.0
97.02874	4.9
97.06527	11.3
97.10135	4.1
98.20846	3.5
98.97584	7.8
99.08101	17.6
102.73338	1.9
105.07040	17.6
107.08591	30.7
109.10164	38.5
110.97484	2.0
113.09644	5.8
116.98618	2.0
119.08582	35.8
121.10145	52.1
123.11715	13.7
127.11184	16.9
131.08539	3.2
131.64404	1.8
133.10139	15.9
135.04395	2.4
135.11740	12.8
137.02339	3.6
137.09651	1.8
139.11176	4.3
145.10110	2.1
147.11688	22.1
151.11116	2.0
153.12769	3.4
158.99651	2.9
161.13240	13.5
163.14818	19.2
165.12817	3.3
171.13737	2.9
175.14822	6.3
177.16353	10.0
181.16011	4.0
184.32964	1.7
193.12073	2.1
203.17966	56.9
221.15440	3.9
221.18987	37.8
239.20064	28.9
250.98358	1.7
259.09857	2.6
284.05475	2.1
349.07190	4.8
361.07071	9.8
367.78427	1.9
374.19464	1.9
390.09622	5.7
418.09213	30.1
418.21790	2.7
436.10321	15.1
436.22046	5.3
436.27377	4.3
461.16931	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
55.05501	1.2
56.05037	0.6
58.06592	0.6
61.02931	0.3
69.03420	0.4
70.06583	1.2
70.73070	0.9
72.08160	5.3
79.05487	0.6
81.07067	0.6
83.08620	1.8
84.08132	1.2
85.02914	1.1
87.00800	0.4
88.65357	0.3
91.05465	0.7
93.07030	0.9
95.08615	0.7
97.02894	0.7
97.06509	0.6
98.06052	1.3
101.07141	2.0
103.37189	0.3
105.01872	0.6
105.07024	0.4
107.04963	3.5
107.08601	1.0
109.10124	0.5
110.09727	0.4
112.11251	0.8
113.07137	2.8
115.05455	2.2
119.04942	0.8
120.05708	2.6
121.02878	1.2
121.06525	0.3
127.03935	0.7
135.11723	1.0
136.01791	0.4
143.04945	3.1
144.05721	2.3
145.04980	0.5
145.06517	0.5
153.12761	0.7
155.11800	14.9
159.04420	0.6
161.05931	0.7
162.09186	1.9
165.06970	0.4
166.07776	0.4
170.05997	0.7
171.04417	6.1
171.05745	0.6
171.13811	0.7
172.14459	6.4
179.08620	0.4
181.05013	0.4
181.06532	1.3
181.10094	1.1
187.03995	0.6
189.06984	0.4
190.07796	0.5
191.08569	4.5
194.07262	0.9
195.08063	0.6
198.12411	1.6
201.07124	0.5
207.08018	2.6
209.09599	2.6
218.07216	1.5
219.05936	0.7
219.08058	10.5
220.08955	0.3
222.06769	0.7
223.07573	2.1
226.08630	8.3
229.07724	1.5
234.09161	0.7
235.07558	5.5
237.09103	8.6
247.07529	11.5
249.06133	0.4
249.09059	0.4
250.06282	0.9
262.08643	0.8
263.07050	7.0
265.08597	24.4
265.98846	0.3
272.07074	1.4
273.07910	0.6
290.08130	2.3
291.06543	8.8
305.37830	0.3
322.14340	0.9
336.15927	1.0
347.13889	1.0
348.12311	11.2
350.13782	0.3
362.13785	0.3
418.21210	0.5
419.19867	0.9
436.22336	100.0
437.22501	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	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67110	1.2
51.67354	1.3
53.03946	6.5
55.01864	3.6
55.05513	7.3
57.03438	1.7
57.07061	2.1
59.34324	1.2
61.02925	1.5
65.03932	2.5
67.05509	7.2
69.03439	12.7
69.07055	5.1
69.44296	10.4
71.04977	3.2
72.08144	4.3
73.02917	3.5
76.10625	1.6
79.05496	11.9
81.03416	11.3
81.07053	18.4
83.04997	1.6
83.08632	1.4
85.02912	30.8
85.06546	3.8
87.00835	13.6
91.03947	2.2
91.05487	18.9
93.07046	74.6
95.04964	4.1
95.08610	15.3
97.02888	15.0
97.06547	10.5
98.06048	5.0
99.04465	4.7
105.01871	14.3
105.04555	1.4
105.07058	6.5
107.04950	3.7
107.08599	73.7
109.02886	11.5
109.10170	3.3
110.20706	1.3
113.07125	4.8
115.05502	1.3
117.06989	1.6
119.04933	1.3
119.06031	2.0
119.08574	3.7
120.05745	3.5
127.03924	24.5
129.01807	1.3
135.11696	57.8
137.13255	6.3
143.04936	2.5
144.05788	1.8
145.04976	12.4
145.06113	1.6
145.06528	1.7
147.11673	1.5
151.06236	1.3
153.12741	4.8
155.11801	12.6
159.02887	5.8
171.04410	3.6
172.14400	2.8
191.08614	4.3
193.90672	1.5
194.07326	2.0
198.12413	4.6
209.09544	2.1
219.08006	10.1
223.07555	2.8
226.08672	1.5
231.05060	7.4
234.19177	1.3
235.07567	2.6
237.09161	7.4
239.10652	1.7
247.07504	10.0
249.06038	3.9
263.07077	4.6
265.08621	22.6
291.06506	8.2
322.14447	15.9
348.12347	8.1
399.68219	1.4
419.19461	2.4
434.82162	1.7
436.22327	100.0
437.22516	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01840	0.6
55.05495	1.7
57.03442	0.8
59.05001	1.1
64.50268	0.5
67.05491	1.3
69.03419	1.2
69.07063	1.3
69.38034	4.9
71.04992	11.6
73.06561	3.9
79.05489	3.6
81.03414	1.2
81.07056	14.2
83.04967	0.6
85.02906	4.9
87.00826	1.9
91.05464	1.7
93.07043	10.9
95.08612	3.2
97.02899	1.3
97.06518	1.6
98.97464	0.6
99.04453	0.9
105.01866	2.9
107.08582	8.1
109.02895	0.9
109.10153	1.6
111.04437	0.6
111.05202	0.7
123.11670	0.6
127.03904	2.7
129.05464	0.5
132.36845	0.6
135.11699	18.7
145.04967	1.1
153.12747	100.0
161.13289	1.8
171.13850	0.6
210.66801	0.5
221.15408	1.6
239.16374	1.2
246.66917	0.6
329.69009	0.6
397.44968	0.5
436.22421	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37498	0.5
53.03939	1.6
55.05501	1.9
57.03429	0.5
59.04987	1.0
61.02907	0.7
67.05495	1.9
69.03429	1.6
69.07053	1.4
71.04595	0.9
71.04990	12.8
71.11859	1.3
73.06570	3.5
79.05490	4.3
81.03427	1.3
81.07059	22.1
83.08627	0.8
85.02905	4.6
87.00832	1.6
91.05479	1.8
93.07050	12.9
94.70507	0.6
95.08606	4.1
97.02884	1.7
97.06542	1.9
98.97603	0.8
105.01862	2.9
105.07014	2.4
107.08597	11.5
109.02831	1.1
109.10175	3.8
119.08588	5.7
121.10134	0.7
123.11722	1.5
125.43155	0.5
126.43903	0.7
127.03913	2.1
127.11205	1.0
133.10138	2.3
135.11696	26.0
143.10635	1.2
145.04962	1.7
147.11717	1.7
153.12747	100.0
154.13098	0.8
159.02930	0.7
161.13277	2.0
199.55092	0.6
203.17961	3.3
209.05365	0.6
221.15456	0.8
221.19112	3.5
265.08636	0.9
381.30099	0.6
436.22552	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01865	3.1
55.05499	3.0
57.03418	1.7
61.02926	2.9
67.05499	1.9
69.03433	9.6
69.07054	2.1
69.40388	3.9
69.40817	5.2
70.06581	2.3
71.04979	4.0
72.08165	5.8
73.02897	1.9
79.05477	4.1
80.04433	1.0
81.03431	6.9
81.07058	27.9
83.08615	6.8
84.08181	1.2
85.02904	24.1
85.06531	3.8
87.00836	12.4
87.04459	1.2
91.05489	5.6
93.07045	20.0
95.04977	1.5
95.08614	10.0
97.02882	13.3
98.06065	2.4
98.21511	2.2
99.04444	3.5
101.07129	1.4
105.01866	18.7
105.07029	2.0
107.04947	3.8
107.08596	23.1
109.02914	6.1
109.10150	2.1
112.11221	1.0
113.07137	3.1
115.03944	2.9
115.05464	1.9
119.08575	1.6
120.05704	2.2
127.03919	15.9
135.11693	17.9
137.13284	12.1
143.04971	3.7
144.05661	1.4
145.04980	9.4
153.12747	1.8
155.11795	12.7
159.02866	3.2
161.04488	1.4
163.11977	1.1
170.15273	1.2
171.04439	5.7
172.14447	6.8
191.08585	3.5
198.12379	2.6
198.57597	1.1
207.08072	1.2
209.09633	1.8
210.47369	1.1
219.08011	11.9
223.07568	1.6
226.08606	7.2
229.07573	2.7
231.05090	5.8
235.07617	5.0
237.09140	7.8
247.07562	11.9
249.06094	3.7
263.07104	7.0
265.08618	22.9
290.08380	1.4
291.06537	6.6
322.14371	6.9
336.16022	2.1
348.12317	11.5
436.22357	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.2
53.03949	3.9
53.41417	2.4
55.05519	20.1
57.07058	4.8
66.62353	2.4
67.05507	40.2
69.07068	23.1
69.47273	16.5
70.20005	2.2
71.04977	4.4
74.26064	2.1
76.36127	2.1
79.05497	38.3
80.54966	2.0
81.07056	43.4
83.04986	3.3
83.08615	13.3
85.06541	6.2
91.05483	56.8
93.07046	39.5
95.04975	5.7
95.08613	35.7
97.06531	4.5
97.10127	3.0
105.07033	65.3
107.04955	3.9
107.08587	21.7
109.06514	8.4
109.10172	12.1
117.07027	18.2
119.08589	47.6
121.06502	4.1
121.10152	15.0
123.08091	6.5
123.11777	2.7
125.09613	2.7
129.07018	16.4
131.08577	42.4
133.06491	3.9
133.10147	22.8
135.08110	4.7
135.11694	4.0
141.07011	6.3
142.07773	3.3
143.08575	18.4
145.06483	3.6
145.10133	27.0
147.08043	2.8
147.11700	6.5
149.02348	4.1
149.09627	6.4
151.11125	2.6
154.07660	2.3
155.08530	12.7
157.10117	12.6
159.08116	3.0
159.11732	13.1
161.09581	2.7
161.13240	3.5
169.10129	11.3
171.11688	9.8
173.13251	5.3
181.10226	4.0
183.11690	6.2
185.09657	3.4
185.13307	6.2
187.14922	5.4
195.11673	5.3
197.13286	8.2
199.14861	4.5
200.58000	2.7
201.12648	2.8
201.16508	3.1
203.07690	2.6
209.13289	5.2
211.14845	4.6
212.85678	2.2
213.12798	2.4
213.16345	2.2
215.14185	2.7
223.14793	3.8
225.16415	3.3
227.14362	3.1
239.18115	3.3
245.15485	2.3
247.16838	5.2
255.17421	3.7
259.16934	3.4
261.18417	4.6
271.17303	2.8
325.25168	8.0
335.23657	14.8
343.26410	7.7
353.24710	35.4
357.27759	4.5
371.25836	32.3
375.28854	4.0
385.27481	14.8
403.28467	100.0
417.29968	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	435.1843
Annotation	Lonchocarpic acid
Peak:m/z	Relative Intensity
51.26693	0.4
56.96563	0.9
69.57784	3.0
70.06596	2.4
84.08153	0.8
84.78235	0.5
85.02889	1.4
86.09735	0.5
97.02933	0.5
98.97596	1.3
107.17324	0.4
116.98656	0.5
120.08125	0.8
124.07639	0.5
158.99617	0.7
177.00493	0.5
201.09648	0.4
212.88921	0.4
213.09787	0.6
217.11900	0.6
219.01788	0.5
245.28035	0.5
303.13333	1.6
375.13315	1.2
391.15808	1.0
435.18433	100.0
436.18790	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49935	0.5
53.03938	0.8
55.05500	2.0
56.96559	0.5
59.05345	0.5
67.05505	2.8
69.07060	1.7
70.15234	1.0
70.15609	1.7
70.21166	0.5
72.78642	0.5
79.05483	3.1
81.07054	4.0
82.77282	0.5
83.04958	0.4
83.08629	0.8
91.05479	2.2
93.07050	5.2
95.08601	3.8
97.06454	0.4
97.10195	0.9
105.07047	3.5
107.08588	4.2
109.10149	1.7
115.76355	0.5
117.07034	1.2
119.08583	4.6
121.10181	2.7
123.11708	0.8
129.06999	0.6
131.08585	1.4
132.64775	0.4
133.10126	3.8
135.11694	2.5
142.07736	0.5
143.08569	0.8
145.10127	5.7
147.11682	3.1
149.13232	1.2
153.09007	0.5
156.09241	0.6
157.10139	1.4
159.02650	100.0
159.11697	3.9
160.03065	0.6
161.13269	2.1
163.14896	0.5
171.11713	1.3
173.13327	1.4
175.14813	1.8
183.11717	0.6
185.13274	1.7
187.14792	2.4
189.16382	6.5
197.13188	1.1
199.14830	1.9
200.05396	0.9
201.16377	7.4
203.17934	1.3
213.16411	1.6
215.17970	1.4
229.08302	0.5
245.15184	0.6
247.17061	0.7
299.19815	21.9
322.61847	1.2
323.11807	0.6
353.66400	0.7
389.32050	1.3
435.27274	1.0
435.32529	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	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	15.6
59.04994	4.1
61.02918	3.6
68.84167	2.3
69.02565	2.5
69.03090	4.7
69.03432	69.7
69.58716	16.2
70.30045	2.3
73.02918	2.9
77.65825	2.4
81.03410	5.2
85.02907	63.8
87.04467	53.9
91.03951	2.5
97.02292	4.1
97.02896	73.2
97.28074	2.3
99.04445	3.1
105.07035	5.9
108.25534	2.3
109.02868	3.1
115.03934	96.3
127.03930	12.8
133.04973	100.0
145.04939	25.5
147.08018	4.0
150.07590	14.4
163.06026	11.4
189.09065	3.7
201.09155	2.5
219.10196	2.5
259.08072	4.6
277.09113	3.6
295.10352	3.4
384.04111	2.5
384.77679	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	434.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02713	7.8
53.13172	8.8
54.40839	8.7
55.05518	9.9
56.96555	19.8
57.03419	13.8
61.02940	10.0
63.01707	9.1
67.05500	32.1
69.03418	40.1
70.06586	31.3
70.13878	20.3
72.08158	13.6
73.02914	12.7
77.50556	8.0
77.51032	9.0
77.54559	7.1
79.05483	11.5
81.03373	10.2
84.08141	10.2
85.02909	100.0
85.06533	11.9
86.03250	11.9
86.09702	13.0
87.00817	12.2
89.06063	9.0
91.05470	15.7
93.07053	12.4
95.04992	8.9
97.02906	54.2
98.03188	8.4
98.97575	41.7
99.04462	10.6
105.07021	15.1
107.07104	15.4
107.08627	11.9
109.02905	11.3
109.10159	12.5
118.57964	9.3
125.05954	9.7
127.03917	35.8
128.98566	10.3
131.08511	14.3
137.05966	36.3
145.05035	19.6
149.02344	26.0
149.09624	9.6
151.07539	16.3
154.08615	13.0
158.99715	11.8
176.03325	13.2
176.53593	14.1
189.00740	9.7
191.10701	12.5
193.05222	9.0
193.08612	13.1
209.11713	14.5
227.12758	42.4
239.08522	43.2
239.58765	38.3
240.08667	13.7
427.12646	10.7
434.23810	27.1
435.12219	25.4
435.18347	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
54.57508	0.7
55.01865	1.4
57.03437	20.6
59.04993	4.3
60.04507	3.0
61.02931	5.2
67.05479	1.0
69.03429	76.3
70.58681	1.6
71.01358	1.1
71.04995	0.8
73.02912	2.1
75.04470	1.6
79.08642	0.8
81.03423	4.1
84.08158	1.5
85.02905	88.6
86.09704	2.5
87.04469	55.4
91.03934	3.5
91.05457	1.2
93.07054	0.9
97.02892	67.5
98.97580	0.9
99.04450	5.0
101.02386	1.0
101.93494	0.7
103.03947	0.9
105.07041	8.3
109.02879	4.3
110.07198	1.5
111.04470	0.7
115.03930	96.1
117.07008	0.8
119.08579	2.1
127.03922	16.2
129.07008	1.1
133.04967	100.0
145.04950	32.7
147.08064	2.6
150.07617	14.2
163.06017	13.6
167.07120	1.0
169.04987	2.4
171.08041	1.0
180.08653	1.0
181.04977	1.6
189.09091	1.7
201.09062	2.8
205.07133	1.4
219.10143	2.2
223.06071	1.0
228.54515	0.9
231.10242	1.1
237.11369	1.2
241.07095	1.7
247.42734	0.8
255.12364	1.2
258.15881	0.8
259.08194	6.2
277.09164	3.6
285.13293	5.6
295.10330	5.6
302.16232	1.3
434.19943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.4
55.01861	7.0
55.05266	3.6
55.05514	53.4
57.03430	2.3
59.05013	2.8
65.03925	3.4
67.05509	78.7
69.03437	3.7
69.07071	42.9
70.11469	7.9
71.04991	5.4
73.06536	2.7
79.05497	69.4
81.03426	4.9
81.07060	92.3
83.04971	6.1
83.08622	40.9
85.06566	12.8
86.09684	7.7
91.05485	91.3
93.06481	4.5
93.07047	73.0
95.04958	9.9
95.08606	56.1
97.06517	16.4
97.10179	14.5
98.98473	3.3
99.08086	5.0
103.05460	4.6
105.04495	2.3
105.07034	73.5
107.04955	6.6
107.08599	29.7
109.06516	6.3
109.10168	14.0
111.08078	13.9
115.05457	6.6
116.06209	3.9
117.06226	4.0
117.07019	63.4
119.04907	2.8
119.08586	39.9
121.06497	9.4
121.09305	3.7
121.10144	30.6
123.08064	9.9
125.09604	10.4
128.06244	13.1
129.06026	3.5
129.07010	72.8
130.07773	5.0
131.08574	100.0
133.06474	7.3
133.10136	27.4
135.08037	7.4
135.11731	11.3
137.09557	4.2
139.11145	7.9
141.07002	26.6
142.07787	7.0
143.08563	59.6
145.06506	9.2
145.10127	41.4
147.08072	12.7
147.11685	13.2
149.09636	13.6
149.13266	3.1
151.11258	4.3
153.06964	5.7
154.07788	4.0
155.08578	48.0
157.06473	3.6
157.08685	3.8
157.10132	32.2
159.08052	6.0
159.10374	3.7
159.11674	19.7
161.09583	6.1
163.11177	8.2
165.06993	7.8
166.07803	4.5
167.08598	17.3
167.10765	2.8
169.10144	24.9
171.11667	21.5
173.09662	5.8
173.11862	2.5
173.13257	8.0
175.11179	7.4
177.12752	9.9
179.08571	8.9
181.10139	25.4
183.11713	15.6
184.07356	7.1
185.09590	6.0
185.13315	10.8
187.11151	5.8
187.14867	4.2
189.11276	3.3
189.12807	3.0
193.10170	8.3
195.11708	25.8
197.02003	2.4
197.13283	12.8
199.11188	7.7
199.14838	4.9
201.12726	5.1
203.14296	3.1
205.12163	2.9
207.11719	7.9
207.13701	3.1
209.13251	17.0
211.11208	3.7
211.14848	10.3
213.12762	8.3
213.16318	3.9
215.14313	5.5
217.12180	2.9
219.11816	4.2
219.13831	4.8
221.13318	19.9
223.14822	21.7
225.12753	5.5
225.16316	4.7
227.14264	3.9
229.15839	4.3
231.13791	3.6
233.13341	4.5
233.15472	4.2
235.14810	8.5
235.16908	2.7
237.16428	5.4
239.14413	14.3
241.15900	10.6
243.13820	3.0
243.17606	2.5
245.13261	3.0
247.14832	2.6
247.16966	14.7
249.16374	4.6
251.14392	3.8
253.15811	8.3
257.15359	6.4
261.18439	5.2
267.17566	4.1
271.06082	4.8
271.16840	10.7
273.18466	3.2
275.20132	2.7
285.18430	6.6
289.17953	2.7
299.20172	2.7
302.47610	2.3
305.22620	4.9
314.57516	2.3
315.20895	6.9
323.23694	13.5
326.50378	2.3
327.65686	2.7
333.22119	33.8
341.24658	11.6
351.23215	60.6
355.26346	5.3
365.24802	4.7
369.20013	3.8
369.24246	38.6
373.27213	7.3
374.27539	2.3
383.25839	20.2
401.26871	53.3
405.29993	3.2
415.28378	19.0
433.29205	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	433.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	7.1
57.03433	2.9
61.02931	2.8
69.03432	10.5
69.71374	15.4
74.06059	3.0
77.99789	2.5
84.08137	4.0
85.02902	15.9
91.05468	7.1
92.28389	2.1
93.07059	6.6
97.02892	4.9
98.97604	18.5
105.07033	7.2
107.04916	3.0
107.08598	7.2
110.97558	5.5
116.98634	5.8
117.07071	4.1
119.01880	4.0
119.08569	5.6
121.06504	7.0
123.04420	4.3
127.03947	6.3
131.05019	2.7
131.08563	2.7
132.95856	2.8
133.10133	9.2
134.99643	3.3
137.05945	2.7
143.00139	3.1
145.04948	4.0
145.06467	3.2
145.10150	3.1
149.05968	37.3
149.09633	5.7
151.07552	10.3
152.07884	8.7
158.99629	6.6
159.03256	3.4
161.06052	3.9
161.09628	5.3
165.12695	3.5
167.07031	7.8
171.08086	2.7
173.05963	7.0
175.07561	4.9
177.00764	4.0
177.05492	13.6
177.12764	2.8
186.04393	4.6
186.96860	2.8
199.07607	2.4
201.05455	3.7
201.09232	3.5
203.07059	3.0
219.01765	8.6
223.11436	2.5
227.07143	3.0
233.79457	2.8
234.99121	4.7
237.02786	7.3
239.10646	3.1
251.10707	2.9
252.95618	7.3
253.12260	7.7
257.07986	5.6
263.07117	2.9
263.10342	2.6
267.10040	2.8
270.96637	5.7
274.97668	4.2
275.10388	3.5
277.00031	7.3
277.12152	2.7
282.14954	18.2
287.10632	3.3
291.13779	7.2
293.11835	13.2
295.13348	2.8
296.12848	3.0
305.11737	7.6
307.13242	3.8
308.10635	3.4
309.14774	9.5
310.14673	3.2
311.12787	3.7
311.17627	2.8
319.13278	11.9
322.14581	4.6
323.12787	7.3
331.13220	5.6
336.15961	2.9
337.14166	12.9
338.13461	2.9
339.17096	33.1
340.15427	13.0
354.16965	3.9
355.15604	4.2
357.18051	20.3
366.16980	9.5
383.19717	24.4
384.18054	28.5
386.19638	31.2
398.19547	16.3
401.20764	47.4
415.22314	100.0
433.07510	3.2
433.17633	3.8
433.23340	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	433.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09271	0.5
51.16805	0.6
55.05484	0.5
56.96560	0.6
57.38634	0.5
61.02916	0.6
69.28614	4.8
70.51545	0.6
81.99549	0.5
84.08150	0.8
86.56717	0.5
88.20171	0.5
88.61318	0.5
91.05476	0.5
95.08577	0.5
97.06522	0.9
97.22403	0.5
98.97572	0.6
99.38574	0.5
126.84755	0.5
185.11496	10.6
203.11189	0.7
208.95052	0.5
213.10982	6.5
227.12512	0.8
243.08731	0.6
271.06064	8.3
281.07925	0.6
329.15787	2.6
347.16760	22.2
389.17828	61.8
390.18060	1.3
433.16812	100.0
434.16974	1.3
453.35721	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1685
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
55.05494	0.3
56.05046	0.3
60.07826	0.3
66.77795	0.3
67.05477	0.3
69.03429	0.8
69.65056	1.7
70.06572	0.5
72.08167	2.1
74.06081	2.3
84.04488	0.8
85.02906	1.6
86.09713	3.4
87.04476	0.3
95.08604	0.3
97.02888	0.6
98.20830	0.6
98.97606	0.4
102.05511	0.3
115.03927	0.6
123.08065	0.3
133.04974	0.8
136.58388	0.3
137.05992	0.7
145.04924	0.4
151.07549	3.5
164.70218	0.3
170.11702	0.3
185.16487	0.5
191.10320	1.1
197.12808	0.3
203.10251	0.3
211.06306	0.3
213.16068	0.4
215.13908	0.8
219.01938	0.3
221.04994	1.4
221.11369	0.9
237.03011	0.4
301.12680	2.6
335.09576	0.8
353.48178	0.3
433.16824	100.0
434.17297	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
62.71482	4.5
69.03403	12.5
69.85864	24.5
71.04980	5.6
77.22081	5.1
79.05513	5.0
85.02896	14.4
86.09691	5.1
91.05447	5.6
93.07011	7.7
96.86440	4.7
97.02892	11.6
98.21478	7.4
98.97562	16.2
105.06953	7.5
107.08578	18.7
116.98617	5.1
121.06513	10.1
128.98628	4.9
131.04895	4.9
132.95836	8.2
133.10120	13.0
142.01939	4.7
149.05969	39.6
161.05966	6.2
161.09554	11.1
163.03841	7.1
167.07036	11.9
177.05473	29.0
189.08942	5.6
234.10451	5.0
237.02681	5.3
241.02281	4.9
244.78795	4.5
253.12296	8.1
255.13716	6.0
277.00043	6.9
282.14886	21.1
293.11554	14.4
305.11578	8.0
309.14810	19.0
311.12524	5.6
319.13287	13.0
323.12625	7.9
337.14297	12.6
339.16974	33.2
340.15482	17.3
341.17081	5.1
354.16763	8.9
355.15372	6.8
356.18536	7.4
357.18085	17.3
365.18533	7.0
366.16864	12.2
383.19562	34.3
384.18076	23.0
386.19699	37.1
398.19516	16.8
401.20728	35.3
415.22250	100.0
416.20197	9.1
433.17264	10.3
433.23233	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	433.113
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
52.90757	0.1
57.96408	0.1
67.01876	0.4
68.99488	0.1
68.99817	0.2
69.03397	0.1
69.22208	0.6
85.02901	0.1
91.05464	0.2
98.20740	0.1
107.76694	0.1
119.04935	1.5
121.02859	0.4
129.01840	0.1
145.02824	0.4
153.01823	3.9
161.06134	0.1
163.03854	0.3
169.06471	0.1
171.02876	0.2
187.03975	0.1
197.05963	0.1
203.07040	0.1
225.05408	0.2
229.04979	0.2
233.24660	0.1
243.06558	0.2
244.55176	0.1
247.06078	0.1
270.05078	0.1
271.06000	100.0
272.06317	1.1
363.66425	0.1
365.15009	0.1
433.11078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Isovitexin
Peak:m/z	Relative Intensity
53.03923	0.9
55.01846	1.1
55.05495	1.1
56.96555	1.0
57.03424	1.2
61.02898	0.9
62.15483	0.6
67.05486	1.5
69.03397	1.5
69.07041	1.1
70.06564	1.1
71.04966	1.0
71.79503	0.6
73.02917	0.7
79.01836	2.5
79.05483	1.2
81.03407	1.4
81.07039	1.2
84.08095	2.0
85.02912	4.9
91.03893	0.8
91.05462	1.6
95.04964	0.9
96.39056	0.6
97.02849	2.4
97.06494	1.7
98.20725	1.6
98.97552	1.9
99.04408	0.7
101.39340	0.7
105.07010	1.1
107.04948	1.0
107.08595	1.5
109.02863	1.5
109.10183	1.1
119.04909	3.1
119.08569	1.1
120.81073	0.7
121.02869	16.1
121.10104	0.9
123.04410	1.2
125.09645	0.8
127.03893	1.1
133.10104	1.0
137.05933	1.2
138.91548	0.7
145.02815	2.2
145.06485	0.8
147.04376	0.9
149.06015	0.9
159.11613	1.1
161.05965	0.9
163.03906	1.9
165.01823	2.9
167.03400	0.8
167.10631	1.7
167.14288	1.6
177.01830	0.8
179.03456	0.7
180.35268	0.7
183.02892	1.6
185.11722	3.9
185.15446	1.3
187.03943	1.4
191.03296	0.9
197.06009	0.7
205.04994	1.0
213.05440	3.6
215.07167	0.8
217.04967	3.6
219.01840	0.7
227.07065	1.9
228.07753	0.9
241.05042	1.2
243.02953	1.6
243.06618	0.9
255.06609	4.8
256.07346	6.7
259.06064	2.1
261.03802	1.5
267.06519	2.1
268.07422	0.9
270.05197	1.3
271.06006	4.9
279.06430	1.1
281.08118	0.9
283.06018	71.9
284.06790	33.0
285.07462	3.0
295.06094	13.6
295.09430	1.5
297.07587	17.0
298.04666	1.1
307.05957	1.6
308.06833	2.8
309.07468	6.6
311.05530	2.4
313.07059	89.9
314.07578	1.1
319.10794	0.7
321.07654	1.2
323.05566	1.7
323.09088	20.0
325.07056	5.5
327.08652	1.6
333.07724	0.8
337.07062	20.8
343.08194	6.2
343.18658	0.8
349.07077	2.5
351.08716	6.3
355.08127	2.3
361.07022	1.3
367.08142	16.8
367.69650	0.7
379.08109	13.2
397.03888	1.3
397.09167	28.8
415.10248	43.0
433.11304	100.0
433.23813	5.7
434.11606	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
56.96564	1.1
57.03432	1.3
58.94883	0.6
61.02919	0.9
67.05499	0.9
69.03423	2.9
69.07058	0.9
70.06594	2.0
71.05002	0.8
71.25842	1.3
71.26184	0.7
72.08151	0.8
73.02908	0.6
73.06560	1.2
79.05484	1.3
81.07067	1.6
84.08176	1.1
85.02910	2.9
86.09727	2.1
87.04482	6.0
88.04001	1.1
89.06033	100.0
91.05463	1.5
91.07615	0.6
93.07075	1.0
97.02888	1.8
97.06535	1.8
98.97588	2.4
105.07056	1.0
107.07077	1.7
107.08597	1.3
115.03907	1.2
119.08607	0.8
119.10702	1.3
121.06531	0.7
121.10150	1.3
123.04435	1.7
127.03934	1.3
130.08664	0.7
131.07043	2.4
131.08592	1.0
133.08604	64.7
136.77652	0.5
137.06007	0.7
149.06018	1.3
149.09625	2.4
153.76404	0.7
158.99712	0.8
165.05519	1.3
167.07028	0.9
177.05414	0.9
177.11223	21.7
192.80342	0.6
201.00710	0.7
207.13875	0.6
221.13792	4.9
239.08565	1.7
239.14932	0.9
256.95880	0.7
263.70496	0.7
263.91141	0.7
265.16553	1.3
271.05969	0.7
283.17551	1.9
309.19153	0.9
327.20200	2.6
371.22742	2.9
397.16531	2.0
400.17422	0.7
414.19012	5.3
415.25391	28.2
416.26178	0.7
432.20270	2.2
432.28366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
54.02972	0.7
55.01879	3.8
55.05513	20.7
57.03433	6.7
57.07057	1.3
59.04998	0.9
67.05505	22.4
69.03426	1.5
69.07065	7.3
71.05023	0.8
71.56915	0.9
76.89040	0.8
79.05061	1.4
79.05491	16.0
81.03433	1.4
81.06588	1.1
81.07062	22.0
82.91780	0.7
83.04970	1.3
83.08623	8.4
85.06566	1.1
85.34058	0.8
91.05483	7.6
93.07038	10.0
94.69411	0.8
95.04943	1.1
95.08605	14.2
97.06530	2.5
97.10171	20.5
103.05460	3.0
105.03349	1.4
105.07018	5.6
107.04927	0.8
107.07964	1.1
107.08604	12.3
109.06542	1.6
109.10165	6.9
111.08095	1.9
113.00017	96.5
115.05424	1.8
117.07007	6.3
119.08576	3.8
121.10121	3.7
123.08027	1.2
123.11710	1.8
125.09633	18.8
128.06219	0.8
129.07010	5.6
131.04897	2.1
131.08548	4.5
133.10133	2.7
135.08047	6.4
135.11679	2.1
141.06970	2.1
143.08557	2.8
145.06497	2.5
145.10144	1.3
147.11636	2.2
149.09616	1.4
149.13225	1.4
153.09119	4.5
154.02574	0.8
155.08549	2.7
157.06606	0.9
157.10121	1.3
157.12120	1.8
161.13246	1.3
167.08615	1.0
169.02614	100.0
169.10083	1.7
171.10150	1.4
171.11662	1.2
175.14790	1.2
183.11670	1.2
185.13341	1.2
187.14749	1.2
195.11583	1.6
197.13258	2.9
202.17398	0.8
203.12779	18.2
205.10121	0.8
210.79224	0.8
213.12811	2.1
215.14319	16.0
223.11339	0.9
234.14441	0.7
241.12314	2.1
245.15358	0.9
245.22604	3.6
247.16908	1.2
249.78125	0.8
262.12747	0.8
263.23663	6.8
269.31558	0.7
273.14813	1.5
331.20551	1.1
349.21631	4.7
357.77896	0.7
367.22757	10.8
378.17645	0.9
381.24316	3.8
399.25314	27.8
431.18958	0.9
431.27814	16.8
431.32767	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	431.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.0
55.01868	2.3
55.05506	13.9
57.03439	18.1
57.07063	1.7
61.02919	7.5
65.03937	2.9
66.73624	1.6
67.05502	38.4
69.03429	22.5
69.07063	15.5
71.04995	5.1
73.02919	6.7
79.05494	29.4
81.03423	23.5
81.07056	58.4
83.04986	24.0
83.08628	12.8
85.02898	16.4
85.06536	4.5
91.03938	2.7
91.05475	22.6
93.07040	41.5
95.04948	7.3
95.08614	19.6
97.02892	11.4
97.06499	9.7
99.04420	5.4
99.08080	4.5
103.03960	5.8
103.05436	2.4
105.07046	11.3
107.04929	6.1
107.08593	21.7
109.02885	6.2
109.06505	3.0
109.10164	4.3
111.04440	5.6
111.08070	4.4
113.42007	1.7
117.07027	8.3
119.08582	7.6
120.75284	1.9
121.06524	3.4
121.10133	13.3
127.03938	7.9
129.05478	14.9
129.07004	2.3
131.08542	11.5
133.10143	8.2
135.08000	2.2
135.11694	6.3
145.10204	2.2
147.08020	2.5
147.11700	4.4
149.13271	22.8
151.08698	2.0
159.11703	24.4
161.13235	5.5
176.10623	2.0
177.07555	2.6
177.11063	5.6
177.12758	26.0
177.14275	3.1
178.84717	2.0
179.14328	12.0
183.06535	3.8
185.46999	2.1
195.13785	16.6
204.10175	2.0
205.10783	3.9
206.11272	2.1
213.14890	2.1
219.13834	3.8
251.16420	3.3
267.15900	2.6
269.17480	100.0
285.14700	3.0
293.17517	2.2
297.16995	2.6
303.15689	3.1
321.16907	2.5
327.28302	2.2
332.06476	1.8
339.18149	4.2
373.43234	1.9
377.19638	4.3
395.20743	2.2
406.48935	2.0
413.21704	7.4
431.26779	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	431.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.4
55.01870	5.0
55.05508	13.6
57.03442	22.0
57.07074	1.6
61.02929	20.1
64.26938	1.5
65.41524	1.6
67.05508	47.9
69.03432	19.3
69.07066	15.0
69.57281	9.9
71.04988	6.7
73.02918	8.6
78.20055	1.5
79.05064	2.3
79.05491	24.5
81.03420	22.2
81.07059	62.7
83.04988	20.8
83.08627	12.9
85.02905	25.5
85.06548	3.9
87.04454	2.4
91.03967	13.9
91.05492	20.2
93.07050	43.9
95.04976	6.5
95.08618	14.5
97.02895	21.4
97.06528	10.7
99.04443	5.2
99.08087	4.1
101.02375	5.0
103.03952	6.1
105.07031	9.1
107.04971	3.7
107.08602	21.6
109.02873	7.7
109.06522	2.9
109.10146	3.5
111.04436	3.0
111.08092	6.4
115.03886	2.1
117.07034	10.2
119.08588	5.6
121.06538	3.2
121.10120	13.2
123.08041	1.7
123.11732	4.2
127.03950	12.2
128.67107	1.7
129.05479	11.9
129.07014	1.9
131.00220	2.0
131.08549	7.9
133.10135	11.5
135.08051	2.3
135.11726	8.8
145.04982	5.5
147.06740	3.1
147.11707	5.3
148.07500	2.4
149.09589	1.7
149.13272	30.1
152.07220	1.6
157.10034	2.2
159.11690	21.3
161.13271	3.8
167.54451	2.0
171.06596	1.8
176.07124	1.7
176.10690	4.5
177.11060	4.4
177.12772	19.3
179.14282	5.2
183.06500	3.8
195.12193	2.7
195.13834	27.7
204.10239	2.3
205.10738	4.5
213.14914	5.7
219.13837	2.4
251.16422	2.1
269.17496	100.0
293.13403	1.6
293.63544	6.4
297.16934	2.5
303.16129	1.7
311.18524	3.6
339.18008	3.5
377.19623	2.7
395.20364	4.0
402.22711	1.7
413.21695	9.6
431.26715	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	431.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.4
55.01855	5.5
55.05517	21.0
57.03434	30.0
61.02919	12.2
67.05506	53.7
67.12773	3.4
69.03443	31.6
69.07069	20.5
69.22758	38.6
71.05001	11.3
73.02927	9.4
79.05498	31.5
81.03415	33.2
81.07060	86.2
83.04983	50.7
83.08619	16.8
85.02904	21.2
85.06542	7.3
91.03941	4.3
91.05468	32.7
93.07050	51.2
95.03296	4.0
95.04967	14.5
95.08616	27.0
97.02894	16.7
97.06530	17.2
99.04459	4.8
99.08099	7.5
103.03931	10.6
105.07021	13.0
107.04967	5.7
107.08608	26.4
109.02871	8.0
109.10175	6.2
111.04446	14.4
111.08102	6.1
117.07021	8.4
119.08588	16.0
121.06490	5.8
121.10157	16.1
123.11692	8.5
127.03950	10.2
129.05487	34.6
129.07056	4.5
130.43587	4.0
131.08592	15.4
133.10126	14.2
134.11720	4.2
135.11707	13.9
145.04977	4.7
145.10107	6.6
147.11740	15.2
149.13271	26.3
159.11679	27.8
161.13260	9.4
165.12743	6.5
165.89746	4.0
167.72504	4.0
177.12784	20.2
179.14296	7.9
184.07312	5.7
195.13812	13.5
219.13722	4.9
269.17484	100.0
297.16992	5.4
303.15707	5.3
339.18176	10.9
395.20667	4.4
413.21466	19.0
423.15979	4.8
431.26678	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81730	2.3
53.03933	6.6
55.01879	4.2
55.05516	16.0
57.03439	19.0
61.02933	10.3
67.05507	44.3
69.03429	25.5
69.07066	12.6
71.01328	2.7
71.04983	6.8
71.57322	3.6
73.02900	6.0
79.05496	29.6
81.03070	1.9
81.03423	22.2
81.06583	4.3
81.07060	58.2
83.04984	26.2
83.08617	11.4
85.02913	17.6
85.06525	4.0
86.09695	5.4
90.71095	2.1
91.03928	4.3
91.05485	23.8
91.88751	2.7
93.07054	43.9
95.04951	6.7
95.08617	19.6
97.02898	15.9
97.06535	11.2
99.04448	7.0
99.08097	2.8
103.03940	4.5
105.07038	11.5
107.04948	4.7
107.08595	18.1
109.02880	6.5
109.06541	3.9
109.10152	3.5
111.04429	7.3
111.08056	3.7
115.03961	2.6
117.06997	9.9
119.08572	5.9
121.06514	3.2
121.10152	13.9
123.11670	2.9
124.99989	3.6
125.09635	2.3
127.03905	8.1
129.05487	14.2
129.06973	3.3
131.08557	10.0
133.10146	11.5
135.08046	3.7
135.11674	7.2
139.32440	2.2
143.08530	2.9
145.04927	4.2
147.06834	2.5
147.08124	2.1
147.11671	6.2
148.07594	2.5
149.13249	23.5
157.10097	4.3
159.11703	24.7
161.13213	6.1
165.12646	2.8
176.07076	8.9
176.10741	10.2
177.07451	2.5
177.11049	8.7
177.12738	25.3
179.14293	9.7
183.06450	2.9
184.07259	10.2
195.13838	17.2
204.10155	5.6
205.10745	9.4
206.11333	7.3
207.13869	2.4
242.95436	2.4
261.14597	2.5
269.17480	100.0
270.17807	2.4
297.17133	2.6
300.69257	1.9
339.18109	2.8
349.20428	2.3
377.19449	2.5
406.70703	2.1
413.21469	7.8
413.25824	4.0
431.26471	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.2
53.43772	4.7
55.05505	22.8
57.03441	12.3
61.02924	37.7
65.03953	6.2
65.06843	4.8
67.05515	48.9
69.03439	9.4
69.07065	26.3
71.29863	4.7
71.30213	7.9
72.94969	4.5
73.02922	19.1
76.36818	4.3
79.05499	74.6
81.03421	19.8
81.07063	41.0
83.08629	15.5
85.02897	33.5
91.03965	31.5
91.05487	48.2
93.07047	76.7
95.04998	11.1
95.08630	36.3
96.53152	4.7
97.02901	18.1
97.06564	6.1
97.10159	7.5
105.07040	30.4
107.08588	43.7
109.10170	18.5
112.99977	5.9
117.07016	6.7
119.04929	7.2
119.08591	24.1
121.10130	45.2
123.08073	5.1
123.11661	6.0
129.07028	7.0
131.08557	10.3
133.10139	16.9
135.11681	35.6
136.06152	9.4
137.06012	20.9
140.17546	4.8
145.10120	10.2
147.11652	14.0
149.13254	19.0
157.10158	9.7
159.11700	8.4
167.12526	12.0
175.11263	6.3
175.14743	5.1
185.13310	9.0
188.21843	5.5
193.12292	6.2
195.13933	5.3
255.92326	4.7
259.20526	9.7
264.59302	4.7
277.21643	100.0
291.08679	9.2
412.24976	9.9
430.25900	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	430.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.7
55.05515	2.2
57.03442	17.7
57.07077	13.7
59.04987	5.4
61.02916	5.0
63.04246	1.6
63.04490	17.6
67.05473	3.7
68.31037	1.8
69.03432	69.5
69.07049	2.1
70.06586	6.0
71.01382	2.2
71.56165	2.6
72.77705	1.7
73.02895	2.7
75.04426	1.7
79.05501	4.4
81.03399	8.2
81.07039	3.9
84.08071	2.0
85.02905	53.4
86.09710	9.6
87.04475	51.5
91.05464	8.1
95.04967	2.4
95.08622	2.6
97.02291	3.1
97.02896	56.5
97.06519	3.3
98.97572	6.0
99.04464	2.8
105.07025	3.4
106.02931	2.0
107.04991	2.1
107.08531	3.2
109.02861	4.5
109.10120	2.1
115.03932	78.6
119.10700	100.0
121.02870	4.1
123.00762	3.9
123.04388	2.6
123.11742	2.2
124.03973	16.1
125.02333	5.5
127.03911	8.0
130.04999	2.0
133.04968	73.5
133.10117	1.9
137.05917	4.4
141.01775	2.6
145.04948	8.5
147.04425	4.1
150.07613	4.5
158.99678	3.1
163.11197	2.2
164.07053	2.3
164.11568	2.7
169.01329	4.9
169.04922	2.2
186.07767	2.2
210.09483	2.1
231.08974	2.3
237.10678	2.2
239.08632	5.1
241.06934	3.0
251.14880	4.5
259.08188	3.1
281.15988	3.5
295.10226	2.3
298.65173	1.9
337.11349	2.3
430.07895	2.5
430.12939	2.2
430.20911	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	430.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
55.01882	9.9
57.03441	19.8
57.07067	13.1
57.91527	1.7
59.04992	1.7
61.02932	18.0
63.04488	22.2
66.42183	1.6
69.03088	2.4
69.03431	35.0
69.73992	1.5
70.06571	6.2
70.81631	5.2
71.01350	3.5
71.04997	3.2
73.02919	80.0
75.40231	1.5
79.05490	2.7
81.03410	7.3
81.07035	2.8
85.02909	80.0
86.09711	4.0
87.04455	6.2
91.03959	4.5
91.05461	3.4
93.16319	1.6
95.04941	3.9
97.02898	61.9
98.97576	4.4
99.04431	5.0
103.03940	3.7
104.09636	1.6
105.07037	2.7
107.08592	2.7
107.10887	1.7
109.02879	5.6
109.06516	1.9
115.03930	31.8
119.10698	100.0
124.11245	1.9
127.03926	29.0
133.04962	39.4
135.91608	1.6
145.04968	38.3
147.04411	5.4
147.11647	1.9
147.31512	2.0
150.07578	1.9
163.06027	16.5
189.09198	1.8
193.04956	2.7
199.05984	1.5
208.16885	3.0
215.12746	4.4
217.07109	1.8
223.05978	7.0
225.08058	1.8
241.07094	8.9
250.35176	1.7
251.14934	7.5
259.08118	15.4
268.09225	1.8
268.18915	2.0
277.09061	2.9
281.15869	4.5
286.10379	2.0
295.10123	5.9
430.14795	8.2
430.21890	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	430.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	3.3
60.27744	0.9
69.03429	1.6
70.06583	3.3
71.55893	1.7
81.03443	1.2
84.08141	2.1
85.02906	3.5
91.05441	1.5
93.07036	1.3
95.09645	1.0
95.54568	0.9
97.02901	2.3
97.06451	0.8
98.97575	4.2
103.05460	6.2
108.70447	1.0
110.97550	1.0
116.98684	1.8
120.08110	100.0
127.03919	2.1
128.98592	1.4
131.04912	2.6
136.06155	1.9
137.05965	5.7
147.04356	1.3
149.05991	1.0
150.05388	1.0
158.99617	1.8
166.08643	50.6
195.65498	0.9
206.11766	2.5
219.01802	2.4
250.14397	1.2
352.99530	0.9
412.19504	2.3
430.12048	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.9
55.01872	10.1
55.05502	3.0
57.03436	8.4
60.04496	1.9
61.02927	6.7
62.32835	1.2
63.55450	1.2
65.26422	1.1
67.05488	4.2
68.97781	1.1
68.99780	3.7
69.03090	2.1
69.03431	33.0
69.07049	3.1
70.06567	1.5
71.04995	6.2
71.56413	1.2
73.02917	12.8
73.89337	1.2
79.05490	4.7
80.05834	1.4
81.03420	36.6
81.07052	5.4
83.01349	2.0
83.04979	1.9
84.04484	1.4
85.02907	100.0
86.06078	2.4
87.00829	36.9
87.04462	2.5
91.03938	4.9
91.05457	3.4
93.07022	3.9
95.04971	2.7
95.08603	2.3
97.02297	2.1
97.02898	40.9
97.06546	5.7
98.06063	5.3
98.97588	2.0
99.04459	20.4
105.01868	37.4
105.02570	1.9
105.07018	4.4
107.04961	1.4
107.08599	4.5
108.04491	8.4
109.02885	38.9
109.06399	1.1
109.10150	1.7
111.02658	1.3
114.35497	1.1
117.01860	4.8
119.08574	2.2
121.10118	2.8
123.53680	1.0
126.05537	5.6
127.03918	84.3
129.01831	5.1
131.08513	1.2
133.10081	1.3
135.04399	1.3
137.05962	4.1
141.01845	2.1
145.04967	52.9
145.10062	1.4
147.02878	4.6
156.35051	1.1
159.02884	30.3
161.09622	1.7
163.11171	4.0
165.09073	3.7
165.46597	1.1
171.02835	1.2
172.84148	1.1
177.03911	2.4
187.07542	1.3
189.03967	1.9
189.09120	5.6
191.10648	2.8
193.12164	1.3
194.12486	1.3
207.10144	1.7
209.11688	2.1
213.03897	3.9
223.71931	1.1
227.12851	2.1
230.06610	3.6
231.05000	20.1
248.07704	6.8
249.06027	3.8
252.15926	1.7
255.10124	1.9
266.08997	2.1
271.16562	1.7
273.11121	2.9
288.18082	5.6
291.19540	6.5
302.17551	1.5
333.06290	1.8
412.26865	3.4
430.19873	4.8
430.26309	7.9
434.29504	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.03930	0.6
53.78427	0.5
54.29207	0.6
55.05501	2.5
57.03415	0.6
57.07078	18.2
60.01814	0.6
67.05511	4.9
69.07072	3.9
69.70639	1.6
69.71048	2.0
71.08630	11.4
79.05484	1.5
81.07066	7.5
83.04976	0.8
83.08619	2.6
85.09759	0.7
85.10184	5.4
91.05481	2.4
93.07028	2.8
95.08614	6.4
97.10162	1.3
98.21540	0.9
105.07016	2.5
107.08598	5.4
109.10155	4.5
111.04429	1.0
117.07010	0.8
119.08604	3.2
120.40494	0.6
121.06548	0.9
121.10152	3.9
122.07264	1.5
123.08081	0.9
123.11637	0.8
125.05965	0.7
129.07005	0.8
131.08551	1.6
133.10138	1.6
133.22598	0.6
135.08049	5.0
135.11685	2.0
137.06001	1.0
137.09624	9.4
137.13232	0.7
139.07535	2.2
143.08543	1.1
145.10129	2.1
147.11655	0.9
149.09630	13.3
159.08118	0.9
159.11700	3.1
160.08859	0.7
161.09616	1.9
163.11186	21.3
165.09119	100.0
166.09412	0.8
173.09618	2.2
173.13257	3.4
174.10403	0.6
175.07513	0.8
175.11153	5.8
176.08327	1.6
177.09100	12.2
177.12791	2.1
179.10696	1.8
186.10400	0.9
187.11214	3.8
187.14793	1.1
189.09048	0.9
189.12695	1.5
190.09853	1.3
191.10667	11.6
201.12738	3.4
203.10695	1.7
204.11427	1.5
205.12254	12.0
215.14339	1.7
219.13841	5.0
229.16035	1.0
233.15201	3.0
247.17020	1.5
261.18478	1.1
303.23260	1.7
317.24670	1.5
331.26456	0.8
345.27576	0.7
373.30832	0.8
401.34128	1.6
411.36038	2.5
429.32190	2.9
429.37268	54.0
430.37759	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	429.3728
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
52.75204	0.7
55.05494	2.3
55.16195	0.6
57.07076	16.1
60.35258	0.6
67.05498	4.7
69.07064	4.1
71.08285	1.0
71.08630	10.9
71.20503	1.6
79.05480	1.9
81.07054	8.6
83.04985	1.2
83.08610	3.1
85.10178	5.2
91.05455	1.6
93.07033	3.0
95.08601	6.6
97.10169	2.8
98.50663	0.6
105.07022	2.1
107.08598	6.2
109.06517	1.2
109.10152	6.5
111.04449	1.1
111.11700	2.0
117.07014	0.8
119.08607	3.9
121.06519	0.9
121.10159	4.2
122.07323	0.9
123.08082	1.1
123.11694	2.0
125.13299	0.9
128.22409	0.7
131.08517	1.7
133.10147	1.9
135.08098	5.2
135.11697	2.3
137.05983	0.8
137.09616	8.6
139.07550	2.0
145.10141	2.9
147.11658	0.9
149.09621	13.7
149.13312	0.7
151.07480	1.6
151.14760	1.0
153.09039	0.9
159.08075	0.9
159.11705	2.5
160.00133	0.7
160.08905	0.9
161.09552	0.9
163.07570	1.1
163.11183	19.6
165.09113	100.0
166.09442	1.3
167.42892	0.7
168.69601	0.7
172.08868	0.8
173.09595	2.3
173.13251	2.1
175.07648	1.0
175.11180	6.3
176.08369	1.6
177.09106	10.1
177.12714	1.7
179.10657	1.0
186.10387	0.7
187.11182	3.0
187.14845	1.2
189.09070	0.9
189.12738	1.9
190.09930	1.5
191.10658	10.6
193.12314	0.8
196.21234	0.7
201.12750	2.5
203.10704	1.6
203.14159	1.2
205.12234	11.8
215.14337	2.3
219.13838	4.6
229.15851	1.0
233.15367	3.2
247.16945	2.7
261.18555	0.9
275.20068	1.5
281.80350	0.7
289.21606	1.3
303.23245	2.3
317.24863	1.1
331.26392	1.1
345.27905	1.1
359.29291	1.1
373.30948	1.3
401.33939	3.4
411.36218	2.9
429.31918	6.7
429.37262	66.4
430.38101	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2122
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03936	9.0
55.01860	5.5
55.05510	16.5
57.03438	22.2
59.04997	3.6
61.02928	9.4
67.05221	2.3
67.05511	23.4
69.03438	26.2
69.07055	7.8
70.06586	5.0
71.04983	6.4
71.56650	2.5
72.08135	2.9
73.02917	5.8
79.05495	27.5
81.03421	79.6
81.07060	37.9
83.04996	10.0
83.08643	12.7
84.08112	2.5
85.02426	2.6
85.02906	26.7
85.06577	4.6
91.03941	5.2
91.04959	3.3
91.05476	28.1
93.07047	17.2
95.01341	2.2
95.04972	34.1
95.08611	10.8
97.02899	28.4
97.06535	10.3
97.10149	5.9
98.97608	4.1
99.04454	7.4
99.08076	2.7
101.02346	2.3
103.03941	6.4
103.07626	2.2
105.07028	23.5
107.04936	12.2
107.08585	11.8
109.02899	13.0
109.06496	5.0
109.10168	4.0
111.04434	7.7
111.08057	5.3
115.05464	3.3
117.06991	7.2
119.04883	3.2
119.08578	19.9
121.06509	4.6
121.10138	9.7
123.04436	17.7
123.08050	3.9
123.11714	6.7
127.03910	15.4
129.05479	3.6
129.07033	12.6
131.04832	1.9
131.08530	9.9
131.35011	2.3
132.95525	1.9
133.06514	4.4
133.10147	9.7
135.08064	3.3
135.11693	5.1
137.05965	4.8
143.08530	4.4
145.04936	3.8
145.10143	10.6
147.04382	8.7
147.08037	3.7
147.11682	20.4
149.05861	2.6
149.09645	5.7
157.10104	7.0
161.05951	2.2
162.05435	2.1
163.11200	11.5
165.12752	6.4
171.11739	2.3
173.06093	2.0
173.09573	3.8
173.13248	2.1
175.11227	7.8
177.12703	2.8
183.06493	3.8
186.12273	2.0
187.07687	2.3
189.05519	3.6
189.12735	2.8
191.10687	3.2
193.12221	25.9
199.11136	2.2
205.12212	2.9
207.13762	4.5
211.13324	28.7
214.63354	2.9
217.12270	4.4
219.13460	5.6
223.13304	2.4
223.63710	3.0
228.13849	14.2
229.14293	2.2
235.13284	26.8
237.14410	17.2
237.64418	2.3
246.14915	100.0
246.65042	16.7
249.14899	4.0
259.13287	5.0
261.14801	2.3
267.12015	39.4
267.15924	21.5
273.14871	13.7
277.14410	2.8
285.16983	8.8
289.14481	2.1
301.14233	9.8
309.17072	14.3
313.16306	3.0
319.15213	3.1
337.16504	6.7
375.18036	10.9
384.14694	2.6
385.18335	2.9
393.18970	8.0
411.20114	11.5
412.17422	4.1
429.16696	23.9
429.22003	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2119
Annotation	Carolenalin 4-O-beta-D-glucoside
Peak:m/z	Relative Intensity
50.32615	0.9
53.03957	4.5
55.01868	2.7
55.05511	6.8
56.96550	1.2
57.03436	7.4
59.04993	2.4
67.05507	7.6
69.03430	17.5
69.07072	4.2
70.06603	3.9
71.01349	1.0
71.04990	4.4
71.05315	0.8
71.56212	1.2
73.02912	1.8
79.05487	8.9
81.03417	44.4
81.07059	11.8
83.01350	1.0
83.04976	9.7
83.08612	10.5
85.02902	15.4
85.06561	1.1
86.09703	2.6
87.04468	1.1
87.08132	0.8
91.05476	13.5
93.07040	8.9
95.04968	13.0
95.08595	4.8
97.02892	26.8
97.06556	3.5
97.10154	1.3
98.97596	2.3
99.04460	4.7
101.02431	0.9
103.03905	1.5
105.01876	0.9
105.07034	11.5
107.04946	3.4
107.08589	5.9
109.02879	6.8
109.06494	3.9
109.10154	1.4
111.04446	3.7
111.08092	4.7
115.05456	0.8
117.07018	2.2
119.08602	9.0
121.06509	2.4
121.10157	11.0
123.04469	1.3
123.08067	1.7
123.11696	1.5
127.03914	11.0
129.05470	2.0
129.07021	3.9
131.08585	4.2
133.06500	1.4
133.10110	5.1
135.08023	0.8
135.11674	2.0
137.06004	1.8
137.09619	1.2
142.07747	1.0
143.08546	0.9
144.85393	0.8
145.05000	1.3
145.10150	2.4
147.08057	1.8
147.11707	8.5
149.05991	1.2
149.09665	3.9
157.10153	5.8
161.13260	0.8
163.03783	0.9
163.11180	8.8
165.12733	3.8
173.09616	0.9
175.11195	7.8
181.12221	3.6
183.06563	0.9
185.09258	1.0
189.12794	1.2
191.10706	1.3
193.12241	25.8
201.05518	1.3
211.13287	40.0
227.12808	1.1
229.14392	2.5
231.13846	1.3
235.13235	1.2
249.14835	5.8
267.15964	5.8
283.15897	0.9
285.16907	7.9
308.75079	0.8
309.17041	0.9
313.16547	0.9
319.15503	1.2
337.16302	1.7
355.17468	2.4
384.14642	0.9
393.19034	2.3
411.20383	4.3
429.21127	100.0
430.21436	1.5
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	Cichorioside N
Peak:m/z	Relative Intensity
53.03953	6.1
55.01866	3.3
55.05273	1.0
55.05516	14.4
56.84774	1.0
56.96568	1.3
57.03441	16.5
57.44572	0.9
60.94639	0.9
61.02916	3.9
65.03933	1.1
67.05505	17.7
69.03091	1.5
69.03436	26.8
69.07063	5.9
71.01361	1.8
71.04990	7.6
73.02914	3.7
79.05494	15.8
81.03424	85.9
81.07068	18.0
83.04986	20.6
83.08627	21.6
85.02905	22.9
85.06509	1.9
86.41805	1.0
86.67149	1.0
87.04456	3.2
91.03967	1.2
91.05484	19.9
93.07052	13.9
95.04984	20.9
95.08632	6.0
95.09151	1.1
97.02902	47.6
97.06537	5.9
97.10181	5.7
98.97570	1.1
99.04457	8.4
101.02362	2.6
102.88531	1.1
103.03944	3.7
105.07036	14.4
107.04964	5.6
107.08601	7.8
109.02891	11.7
109.06524	4.3
109.10139	4.0
111.04457	8.0
111.08085	10.9
113.06044	1.3
117.06984	2.9
119.08589	14.6
121.06501	4.1
121.10137	7.4
123.04430	2.2
123.08102	2.4
123.11685	2.0
125.09618	3.2
127.03928	12.4
127.07600	1.1
129.05476	3.9
129.07014	9.8
131.04935	1.6
131.08580	10.6
133.06519	2.9
133.10167	7.4
135.04451	1.2
135.08066	1.7
135.11697	1.5
137.05986	4.1
141.07022	1.2
142.07744	1.4
143.08574	1.2
145.10149	4.1
147.08051	3.0
147.11705	15.0
149.05971	1.5
149.09595	6.2
153.12746	1.7
157.10123	9.4
159.06587	1.1
163.11172	2.9
165.12778	2.4
171.11736	1.4
173.08096	1.1
175.11200	14.6
176.07069	1.4
176.10704	1.8
181.12254	3.4
183.06573	2.3
185.09683	1.4
189.11209	2.4
189.12770	1.6
191.10747	2.7
193.12259	51.9
205.10966	1.2
209.23743	1.0
211.13306	96.6
227.12761	4.5
229.14326	5.4
235.13348	3.2
249.14883	8.1
251.20988	1.1
265.14386	1.8
267.15912	4.3
273.15009	1.9
277.14471	1.3
283.15576	1.5
285.14056	1.5
285.16956	18.2
289.14420	1.6
301.14276	2.3
313.16446	2.5
319.15457	2.5
337.16617	2.9
348.94366	1.2
351.18085	1.9
355.17587	5.4
356.88388	1.1
369.19482	1.3
375.18057	1.6
393.19214	2.9
411.20285	5.5
429.21265	100.0
430.21027	2.2
430.26065	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	429.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.8
55.01870	11.5
55.05506	20.6
57.03445	19.3
57.07062	2.4
61.02925	18.3
67.05505	31.2
69.03082	3.3
69.03435	43.3
69.07065	17.2
70.06583	2.3
70.81542	6.0
70.81874	2.4
71.01357	4.0
71.05000	8.3
73.02916	11.2
79.05495	43.8
81.03419	44.6
81.07057	47.7
83.04983	13.3
83.08628	8.8
84.08148	2.8
85.02913	48.1
85.06530	17.2
86.06021	3.0
86.09699	3.6
87.00822	11.8
87.04461	2.5
91.03963	8.5
91.04983	1.9
91.05480	53.7
93.06474	5.1
93.07047	73.1
95.04976	19.1
95.08601	23.3
97.02899	31.0
97.06548	17.4
97.10159	3.4
98.06895	3.3
98.97554	2.6
99.04455	9.2
99.08142	2.6
103.03945	4.2
103.05443	3.1
105.01862	10.6
105.04504	2.7
105.07036	41.7
107.04964	8.5
107.08599	41.2
109.02888	13.4
109.06510	8.1
109.10160	12.9
111.04487	4.4
111.08067	3.5
115.03947	3.6
115.05450	4.1
117.07006	11.9
119.04932	3.6
119.08588	27.8
121.06516	32.4
121.10143	49.6
123.04424	2.7
123.08057	4.5
127.03922	28.5
129.06999	11.4
131.04926	4.0
131.08583	15.6
133.02832	2.9
133.06488	5.6
133.10149	23.4
135.04388	3.3
135.08044	3.6
135.11699	23.5
137.05995	5.9
141.07002	4.6
143.08553	4.5
145.02919	2.8
145.04965	10.0
145.06508	4.9
145.10109	30.9
147.08022	6.1
147.11694	19.6
149.09645	6.6
149.13301	4.0
157.06517	4.0
157.10101	14.7
159.02933	6.3
159.04391	4.7
159.11685	8.0
161.02396	4.9
161.06004	4.6
161.13274	2.8
163.03946	16.5
163.11183	43.9
163.14838	6.2
164.04196	5.3
165.09148	3.0
165.12776	3.1
169.10149	2.5
171.11635	4.9
173.02354	6.8
173.06020	3.4
173.09615	3.4
173.13312	3.2
175.11201	10.2
181.10066	2.7
181.10419	3.2
181.12228	52.7
181.15898	7.7
187.03951	6.4
193.12209	14.7
199.03859	3.1
211.13364	3.0
213.05479	6.7
213.12605	3.0
217.21928	2.7
225.09776	3.2
231.05066	4.4
231.10002	2.9
231.13966	3.7
232.10556	3.0
259.09790	3.5
260.10013	7.9
267.09000	3.3
267.16049	26.0
269.53391	3.0
285.10135	3.4
293.11810	3.2
311.12778	6.3
355.15567	13.7
385.18469	3.2
411.20010	5.2
421.09827	3.0
429.20990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44607	0.4
51.72109	0.4
52.59861	0.4
53.20630	0.3
55.05507	0.8
56.96570	0.6
57.03419	0.4
61.02937	0.5
66.00712	0.3
67.05460	0.5
69.03438	1.1
69.07069	0.4
70.06595	6.4
71.06915	0.4
72.08146	1.5
73.02916	0.4
79.05486	0.7
80.18237	0.4
81.03419	0.7
81.07047	0.8
83.08624	0.4
84.08127	1.6
84.96067	0.4
85.02900	2.7
86.09692	1.4
86.98913	0.4
91.05444	0.4
93.07045	0.7
95.04993	0.5
97.02895	0.8
97.06523	0.7
98.97613	2.0
107.08577	0.5
109.02824	0.6
119.01909	0.5
119.08543	0.6
121.06499	1.3
121.10217	0.4
122.06866	0.5
124.22586	0.4
127.03880	0.5
137.05992	0.9
143.08568	0.5
147.04430	0.5
149.05994	1.0
158.99594	0.5
161.02939	0.6
161.05960	0.5
162.05447	0.5
163.07466	0.5
163.11163	0.6
179.06995	0.5
181.08348	3.2
181.09683	0.4
181.10547	0.4
183.14909	0.4
203.05276	1.5
203.10330	0.7
209.07889	0.9
215.13980	0.8
223.09471	0.7
226.16319	0.4
229.15553	0.6
245.06290	0.7
249.14769	0.7
250.11404	0.7
267.12070	0.9
276.11575	0.5
325.12546	0.6
343.13605	9.9
359.02960	0.5
371.16727	1.6
380.66208	0.5
385.14706	28.8
411.19199	0.8
412.17426	1.7
429.13669	81.5
429.20850	100.0
430.13989	2.4
430.21014	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.7
55.01892	0.5
55.05518	1.6
57.03445	1.8
61.02940	0.9
64.99854	0.4
67.05518	2.6
68.99417	0.5
69.03433	2.2
69.07065	0.9
69.63657	2.6
70.06585	0.7
71.05011	0.5
73.02931	0.6
79.05503	2.3
81.03424	5.7
81.07063	2.6
83.05010	1.3
83.08645	1.2
83.46633	0.4
84.38920	0.5
85.02913	2.0
88.88065	0.5
91.03979	0.4
91.05466	2.0
93.07072	1.5
95.04984	3.7
95.08619	0.9
97.02902	3.1
97.06532	1.1
105.07067	1.4
107.04975	1.3
107.08609	0.8
109.02885	0.7
109.06577	0.6
109.10188	0.4
117.07018	0.7
119.08605	1.4
121.06496	0.7
121.10163	1.6
123.04436	1.5
123.08117	0.5
125.09632	0.6
127.03925	1.3
129.06999	0.5
131.08595	0.8
133.08688	0.4
133.10114	0.6
135.08064	0.6
135.11700	0.4
145.10123	1.2
147.07983	0.5
147.11700	1.2
157.10115	0.9
161.06119	0.5
163.11208	1.2
175.11205	1.3
181.12291	0.5
185.04327	1.0
193.12218	2.1
201.12669	0.5
205.12025	0.9
211.13304	1.8
224.07970	0.5
225.09785	2.6
228.13844	0.9
235.13319	2.4
237.14337	1.4
240.24727	0.4
243.10742	2.7
246.14896	4.9
246.65167	0.5
249.14818	0.6
259.13309	0.6
267.12036	100.0
268.12436	1.5
273.14813	0.7
285.11920	3.1
285.16916	0.6
301.14328	1.2
309.16861	1.3
337.16483	0.5
375.18018	1.2
393.18875	0.9
411.20059	1.0
429.17194	75.8
430.17584	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21972	0.3
55.01869	0.4
56.96564	0.7
57.03438	0.5
69.03433	1.0
69.72919	1.9
70.06591	5.5
72.08147	1.0
74.06069	0.4
75.01242	0.4
79.05480	0.6
81.07066	0.8
84.08144	0.4
85.02918	2.1
86.09702	1.2
95.04950	0.5
97.02886	0.6
97.06551	0.5
98.21435	0.6
98.97578	1.1
105.07020	0.7
107.08581	0.5
109.02827	0.5
117.05911	0.4
119.08554	0.3
120.08204	0.4
121.06474	0.6
121.95292	0.3
127.03910	0.4
132.08099	0.6
133.08463	0.6
137.05992	0.6
143.01805	0.5
147.04419	0.6
149.05939	0.4
158.99687	0.4
160.07584	1.1
161.07965	1.0
162.06775	0.4
163.04033	0.5
164.04355	0.5
172.07570	0.4
173.08072	0.6
180.10048	0.5
181.08371	4.1
185.04324	0.6
188.07036	5.7
189.07396	5.3
189.80095	0.4
190.08354	0.4
202.08533	0.6
203.05315	0.8
203.08792	0.6
203.10425	0.7
206.08185	1.4
207.08485	1.4
209.07970	1.2
215.13902	1.2
216.06674	0.5
217.07156	1.8
218.07967	2.3
219.08504	1.3
220.09297	0.5
227.05209	0.4
235.07951	0.5
236.08978	1.0
237.09488	0.5
245.06442	0.5
265.10922	0.5
266.11136	0.5
267.12122	1.5
293.09982	0.6
325.12512	1.1
343.13644	8.9
350.09436	0.5
367.13651	3.7
371.16818	0.6
378.09192	0.9
384.14267	0.5
385.14691	31.5
393.11475	2.5
411.12698	3.0
411.19101	0.4
412.17279	0.9
429.13684	100.0
429.20859	46.9
430.14001	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96294	2.8
56.96564	31.7
57.13710	1.9
61.11356	2.2
69.03439	2.2
70.06583	3.3
70.39526	6.5
71.95252	2.2
73.04723	2.1
84.68443	2.0
84.96061	12.2
85.02889	5.0
91.05806	2.5
97.02895	3.2
98.97586	100.0
110.97578	31.7
112.99121	5.1
116.98630	33.7
120.73902	1.8
124.99191	2.4
128.98633	29.6
131.00162	6.0
134.99701	9.8
137.05998	2.5
140.98593	3.8
143.00168	16.5
144.98132	2.7
145.04898	1.7
146.99675	11.5
149.01259	2.0
152.98631	3.0
158.99635	9.0
161.01218	21.3
162.99228	3.1
170.99583	8.5
177.00713	12.7
179.02280	4.2
182.99756	2.1
183.40623	1.9
189.00700	5.8
201.00722	8.1
207.01669	2.0
213.00670	5.2
218.04803	1.9
219.01770	59.3
225.00716	4.8
227.99341	2.6
229.00124	1.9
237.02820	71.5
243.01784	42.1
255.03706	4.3
261.02850	25.8
267.01758	2.9
279.03833	3.7
285.02853	6.3
303.01794	5.0
309.02612	2.7
311.04327	2.7
321.02890	11.0
327.03925	2.0
331.06866	3.8
359.02838	3.1
369.04950	48.7
387.05984	57.0
410.07684	4.9
429.07022	50.6
429.12189	6.3
429.20746	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	428.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16965	0.9
53.40101	1.0
55.01873	1.3
56.96563	2.0
57.03419	4.1
61.02920	2.5
69.03431	7.3
70.06592	6.7
71.56112	1.3
73.02917	7.4
81.03442	1.0
81.07050	3.8
84.08144	1.8
85.02914	12.4
87.04466	3.3
91.03897	1.2
92.64317	1.0
97.02898	10.2
97.06549	1.2
98.97588	3.1
99.08099	100.0
109.02878	1.8
115.03949	5.5
117.09140	15.0
127.03915	3.4
133.04938	5.3
137.05957	2.2
139.03944	1.2
145.04942	2.6
151.03932	1.8
152.04807	1.5
163.05931	1.1
164.07086	1.1
168.06529	1.2
180.06630	1.3
205.08595	4.2
213.11417	1.1
219.01866	1.3
225.07028	2.1
237.02809	2.0
249.11253	7.3
266.10315	1.4
266.13852	5.5
365.05341	2.3
428.12366	14.1
428.20114	8.7
429.13693	1.5
429.20276	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.01878	3.9
55.05510	4.4
57.03453	2.2
57.07076	6.4
59.04992	0.6
61.02918	2.3
63.04476	0.4
67.05489	0.6
67.79298	0.5
68.99785	1.1
69.03078	0.9
69.03431	10.3
69.07048	0.6
69.52661	3.2
71.01345	0.5
71.04980	1.3
73.02936	2.4
79.05489	1.5
81.02982	0.8
81.03423	9.7
83.08618	2.0
85.02910	25.3
87.00836	11.6
87.04421	0.6
89.02386	0.6
89.06036	23.8
91.03970	0.9
91.05476	0.5
93.07070	0.6
94.50397	0.5
95.04997	0.7
97.02897	10.2
97.06526	5.6
98.97591	0.6
99.04467	4.9
101.09035	0.8
101.09665	9.8
105.01868	8.2
107.05012	0.5
107.07076	22.7
107.52813	0.7
109.02882	9.7
115.03979	0.5
117.01828	1.3
117.93174	0.4
119.08543	0.5
123.04410	0.6
127.03929	14.8
129.01849	1.1
135.04390	0.6
138.26344	0.5
139.81616	0.4
141.17386	0.5
145.04964	7.4
145.12234	0.7
147.02820	0.7
159.02892	4.4
163.03909	3.4
163.13300	100.0
164.13699	0.7
189.05470	0.7
205.08572	2.9
208.25114	0.5
208.76518	0.5
213.04018	1.7
215.07094	1.1
231.04965	3.2
231.10110	1.8
249.05891	0.7
249.11263	2.1
259.09637	3.0
393.11792	1.3
428.16620	0.7
428.26266	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3208
Annotation	Griffinisterone D
Peak:m/z	Relative Intensity
50.71530	0.6
55.01876	0.6
55.05510	2.0
57.07084	3.0
64.95936	0.6
65.03955	0.9
67.05508	3.5
69.03432	1.2
69.07075	7.3
71.04993	0.6
71.05666	0.6
71.08636	0.8
79.05488	1.5
81.07060	7.0
83.04996	0.8
83.08622	3.2
91.05508	1.9
93.07069	3.1
93.18033	0.7
95.04987	2.2
95.08608	11.6
97.06526	0.7
97.10191	1.3
104.36954	0.6
105.07068	2.9
107.08592	8.6
109.06580	1.2
109.10154	6.2
111.08133	1.0
118.99994	0.6
119.08578	6.0
119.09245	0.6
121.06533	1.0
121.10160	7.3
123.08106	2.0
123.11726	4.3
125.13297	1.3
131.08595	1.9
133.06508	0.9
133.10144	3.6
135.08067	4.3
135.11670	5.5
137.09660	0.9
137.13252	3.5
140.28194	0.6
143.08664	1.0
145.10147	2.9
147.08113	2.4
147.11700	3.3
149.09679	1.2
149.13269	3.2
151.11154	0.6
151.14905	0.6
155.08565	0.8
157.10178	2.8
159.08089	1.2
159.11702	5.5
161.09618	5.2
161.13321	1.8
163.14879	0.9
167.10524	0.9
169.10197	1.3
171.11768	1.5
173.09644	3.8
173.13377	2.5
175.11195	3.8
175.14784	1.0
177.12810	1.9
183.11674	2.9
185.13324	1.9
187.11195	18.2
187.12767	1.1
187.14926	1.3
189.12782	1.3
189.16505	1.5
191.18056	1.7
199.14929	1.8
200.15660	0.9
201.12744	6.8
201.14197	0.6
201.16426	0.9
202.13701	0.9
203.14403	1.5
203.18085	0.9
210.14195	0.7
211.14912	0.9
213.16452	1.9
215.14323	3.5
225.16551	1.7
229.15948	1.1
229.19876	0.7
231.17638	1.6
243.17439	10.8
243.78113	0.8
257.18964	1.4
259.20709	2.2
261.14651	14.6
261.17255	1.0
271.17075	2.1
271.20703	0.6
285.22394	1.1
289.18033	4.4
297.22354	1.4
303.19855	0.7
310.26740	1.4
311.23682	8.2
311.26715	0.7
322.26767	0.7
325.25195	5.3
339.26843	10.0
339.30478	0.7
340.27637	17.2
340.31583	1.0
353.28378	5.3
353.31964	0.9
363.30792	1.2
381.31516	55.5
382.32071	1.5
391.30139	1.4
409.30957	5.9
427.32379	100.0
428.32553	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	428.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.2
59.61024	1.8
61.02898	1.8
63.18030	1.5
67.95290	2.3
69.03431	4.8
71.55319	2.4
73.02928	1.8
82.99865	3.7
83.82304	1.6
85.02890	9.6
86.37360	1.8
97.02905	6.7
98.97591	3.2
100.00040	2.3
101.00885	19.8
103.00062	2.0
103.00641	12.6
104.00983	2.2
109.02914	2.1
113.00886	4.3
115.00663	2.8
119.01917	13.1
121.01662	11.5
122.02039	2.2
127.02398	4.8
127.03878	2.0
131.01906	9.0
133.01645	4.1
137.03030	2.6
139.02406	6.9
143.01920	26.8
144.02025	4.2
145.01634	17.6
145.03436	10.0
145.99388	9.6
146.02040	7.1
146.03587	1.8
147.03224	3.6
155.01897	31.6
157.01675	7.1
157.03477	12.2
158.01996	3.0
158.99681	2.8
160.00926	3.5
161.02962	16.9
162.03094	5.9
163.02672	21.1
163.04646	1.9
164.00403	40.5
164.03021	8.0
167.01843	14.4
168.02022	2.2
169.01630	4.5
170.02043	3.4
173.02986	25.1
174.03188	2.9
175.02750	7.7
176.00429	6.4
176.03032	2.9
178.01949	2.8
179.01941	5.4
182.01559	1.6
185.02972	38.4
186.03127	4.6
187.02753	12.1
187.04439	3.4
188.00412	6.6
188.02980	10.6
190.01965	3.7
193.03777	1.9
194.01477	7.1
194.04161	2.1
196.04730	1.9
197.03033	12.0
199.02731	3.7
200.03023	5.2
203.04016	10.6
205.03864	5.8
206.01419	16.7
206.04266	4.3
209.02895	2.2
215.04012	6.1
217.03783	3.8
218.01474	2.4
218.04124	3.4
221.05049	2.4
224.02585	7.4
226.90778	1.8
227.03976	8.4
229.03943	2.1
230.01343	2.2
230.04036	2.4
245.05075	100.0
246.05220	11.5
247.04848	32.5
248.02536	41.3
248.05263	49.3
257.05038	8.6
260.05191	2.0
263.06155	10.0
264.06183	2.1
265.05859	9.0
266.03610	87.1
266.06323	12.3
272.06503	1.7
275.06128	15.9
276.06201	2.9
277.06030	1.9
278.06345	7.4
281.07193	2.0
284.04547	15.5
293.07129	3.4
296.07391	3.3
305.07169	11.8
307.06656	2.3
308.07449	4.7
335.08163	4.5
355.44946	1.6
365.09171	7.5
368.09415	8.1
428.08405	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	427.3208
Annotation	Griffinisterone D
Peak:m/z	Relative Intensity
53.95424	0.6
55.01884	0.6
55.05507	1.7
57.07064	2.0
57.37613	0.6
67.05494	2.9
69.03416	1.7
69.07081	5.7
71.57001	1.2
79.05489	1.7
79.76060	0.6
81.07067	5.8
83.08640	1.4
88.72970	0.7
91.05491	1.6
93.07030	3.2
95.04955	1.8
95.08614	9.2
97.06544	1.2
97.10152	1.4
105.07033	3.3
107.08585	7.5
109.10160	5.6
111.08107	0.6
111.11662	0.9
119.08584	5.1
121.06510	1.7
121.10147	4.5
123.08086	0.9
123.11698	2.2
125.13254	0.9
131.08533	1.4
133.06497	1.2
133.10129	3.8
135.08060	4.0
135.11694	4.5
137.13246	2.6
143.08589	1.6
145.10074	3.2
147.08054	1.4
147.11705	4.2
148.08928	0.6
149.09599	1.3
149.13254	3.6
155.08565	0.8
157.10117	3.2
158.10825	0.9
159.08051	0.9
159.11697	3.5
161.09619	3.8
161.13248	1.7
163.11137	0.8
163.14719	0.7
164.81618	0.8
171.11696	1.4
173.09631	4.1
173.13266	2.0
175.11180	2.5
175.14963	0.7
177.12808	1.1
183.11707	1.8
185.13254	1.0
187.11182	11.4
187.14798	1.0
189.12755	0.7
189.16371	1.1
191.17888	1.4
197.13258	0.9
199.14888	0.9
201.12756	4.4
202.28178	0.6
203.14323	1.5
203.17935	1.0
213.16434	1.7
215.14354	1.8
215.17995	1.0
225.16405	1.0
231.17477	1.8
233.19029	1.2
243.17432	8.4
259.20700	1.2
273.22110	4.3
285.22049	1.0
289.17938	1.9
297.22186	2.2
311.23764	4.3
311.26947	1.0
318.19089	0.8
325.25241	3.8
339.26865	7.0
340.27594	9.7
353.28500	3.5
363.30515	1.5
381.31512	40.8
409.30423	3.0
427.32101	100.0
428.32571	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3206
Annotation	Flabellinol
Peak:m/z	Relative Intensity
51.56385	3.4
53.03935	9.3
55.01857	8.5
55.05511	51.8
56.96561	5.8
57.03431	5.7
57.07050	7.3
60.60585	3.3
65.03951	5.3
67.05505	87.2
69.03422	8.4
69.07065	53.5
71.56499	4.4
77.72654	3.6
79.05498	52.5
81.07056	66.2
83.04961	4.0
83.08620	27.2
84.18368	3.5
85.06538	4.0
91.05491	53.1
93.07045	54.2
95.04951	9.7
95.08606	67.6
97.06514	8.9
97.10175	24.2
99.08121	3.8
101.95024	4.7
102.96877	6.5
105.07034	57.1
107.04940	12.2
107.08594	43.7
109.10169	30.0
115.05405	7.3
117.07005	43.1
119.08588	43.6
120.97880	5.9
121.06501	4.9
121.10149	18.6
123.08070	7.0
123.11761	6.0
124.08842	3.7
124.99999	3.8
125.09624	20.1
128.06223	8.1
129.06990	40.2
130.07779	4.9
131.08586	56.0
133.06497	8.9
133.10165	26.0
135.08075	12.7
135.11696	13.0
137.09612	6.1
139.04353	4.6
141.06972	15.8
142.07796	7.6
143.08563	40.9
143.73242	3.2
145.06497	11.1
145.10117	34.2
147.08104	6.4
147.11681	17.7
149.09615	7.9
149.13269	7.4
154.07726	4.3
155.08553	26.3
156.09319	5.2
157.10149	34.3
159.08034	8.9
159.11688	32.1
161.09595	4.3
161.13274	9.8
167.08606	8.1
168.09273	4.4
169.10127	18.8
171.08107	6.2
171.11682	32.2
173.09605	8.2
173.13272	21.0
175.11201	9.8
175.14851	6.1
177.12820	4.2
181.10124	9.0
183.11717	27.7
184.07338	15.6
185.09669	3.6
185.13232	26.6
187.11205	4.3
187.14862	6.7
195.11681	12.7
197.13232	20.6
199.14850	9.2
201.12576	6.6
201.16339	5.9
203.12753	6.5
203.14462	4.8
209.13214	12.0
211.14795	9.1
213.16391	10.1
215.14362	4.5
223.14806	12.4
225.16347	13.2
227.17958	35.7
239.18039	4.3
241.19365	4.7
243.17393	4.4
251.18024	4.5
283.20581	9.1
287.11478	4.5
287.19992	4.1
291.23169	6.4
315.23065	9.0
325.21442	10.3
327.23264	4.5
329.24643	6.5
335.14999	3.8
353.24796	6.4
357.24142	9.0
358.25058	4.5
377.28323	13.3
382.28629	3.8
395.29480	46.7
399.32303	10.3
409.18420	10.4
409.30762	29.2
427.32092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
55.36380	0.2
56.96545	0.6
57.03415	0.4
57.04541	0.6
58.48729	0.2
61.02943	0.3
67.05468	0.2
69.03408	0.9
69.07044	0.4
69.37148	0.2
70.06590	1.1
71.56398	0.2
72.08128	0.3
79.05492	0.3
81.03399	0.7
81.07030	0.5
83.53557	0.2
84.08102	0.3
85.02905	1.2
86.09684	0.3
87.04436	0.3
91.05441	0.7
94.04034	1.2
97.02862	0.7
97.10157	1.0
98.97585	1.6
110.97540	0.2
112.99162	0.2
114.05490	0.2
115.03912	0.4
115.11220	0.7
116.98579	0.6
119.46233	0.2
122.07132	0.6
123.06651	0.8
127.03873	0.3
128.98558	0.3
133.05066	0.5
134.08121	0.4
135.05389	0.2
136.06197	1.0
145.04926	0.3
150.07747	100.0
158.99702	0.5
162.04066	0.5
162.09113	0.2
176.05693	0.3
177.00726	0.3
179.03366	0.7
180.06564	0.9
184.42249	0.2
203.05281	0.4
205.05432	1.0
209.08270	0.2
219.01752	0.3
223.06499	0.8
237.02679	0.3
240.10309	0.4
247.06409	0.4
251.13933	0.4
265.07568	2.0
265.12616	0.3
266.10056	0.3
282.12006	0.9
283.08487	2.4
283.10925	0.3
295.11499	24.7
303.14017	0.2
307.08517	2.1
325.09692	1.0
331.12967	0.5
367.10666	0.6
374.12540	0.3
390.06439	0.2
391.19678	0.3
397.18518	0.6
409.18021	0.3
427.13812	1.3
427.19495	9.4
428.13898	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1946
Annotation	(-)-Ixerin J
Peak:m/z	Relative Intensity
54.91574	0.8
55.05517	1.0
56.96582	1.5
57.03426	0.8
69.03438	2.4
70.06593	5.2
71.56094	1.0
72.08145	3.9
81.03432	1.7
81.07055	0.9
84.08194	0.8
84.62451	1.0
85.02908	5.3
87.04472	1.6
93.07043	1.3
93.69871	0.7
94.77008	0.8
97.02914	2.6
97.06565	0.9
98.97584	4.6
105.07069	1.9
115.03966	1.3
116.98626	0.9
117.09153	1.0
121.10175	0.8
127.03954	1.2
145.04964	1.1
145.10181	0.8
150.07719	4.0
177.05769	0.9
179.03441	1.8
189.11243	0.9
196.06044	1.0
198.38753	0.7
202.08514	0.7
203.05312	1.9
213.08638	1.1
219.01724	1.3
247.14415	1.0
248.84209	1.0
265.10522	1.0
265.14536	2.7
312.15689	1.2
397.18607	3.3
427.19638	100.0
428.19839	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.8
55.05504	0.7
56.96572	0.3
57.03431	0.5
58.91464	0.3
67.05504	1.1
69.03425	2.5
69.07067	1.2
69.79513	1.4
70.06590	1.5
71.04996	4.3
79.05492	1.5
81.03429	0.4
81.07047	1.3
86.06069	39.2
87.04471	26.4
87.05041	0.4
88.07632	13.2
91.05492	1.8
93.07062	1.8
95.08613	1.2
97.06532	2.6
98.06039	2.8
98.97583	0.7
100.07631	3.7
105.07031	0.7
107.08614	0.7
109.06528	0.5
109.10170	0.5
110.09666	3.0
114.05518	0.4
117.07004	0.5
119.04936	0.7
119.08582	0.5
121.10123	0.4
129.07030	0.3
131.08607	0.4
135.08023	0.3
137.05969	5.4
138.09129	3.6
147.04341	0.4
156.10201	60.8
157.10559	0.3
159.08047	0.4
166.91682	0.3
174.11258	100.0
175.11545	0.7
176.10706	0.6
176.68620	0.3
189.09106	0.7
202.12120	0.5
204.10263	0.4
205.10983	0.6
216.32941	0.3
233.11867	0.4
251.13075	0.4
253.14632	0.8
258.14957	0.3
305.20990	0.7
353.20001	0.4
357.66089	0.4
358.16080	0.3
364.19104	0.4
374.79929	0.3
382.19568	0.3
382.23825	3.7
397.22678	0.5
408.25613	1.0
425.71710	0.4
426.26324	10.7
427.26672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
54.39751	1.0
55.01867	2.4
55.05507	12.1
56.05029	3.3
57.03417	1.3
67.05502	16.2
69.03431	8.7
69.07066	8.3
70.02935	1.6
70.06590	8.7
70.50415	1.9
70.50786	2.1
71.04971	1.4
72.04501	1.6
78.67984	0.9
79.05496	9.8
80.04988	1.9
81.03407	3.5
81.07057	10.2
82.06561	2.1
83.04962	1.2
83.08630	9.0
84.04496	3.8
84.08141	2.0
86.06064	31.8
87.03927	1.9
87.04468	36.0
88.07627	2.5
91.05477	10.5
93.07049	9.2
94.06567	1.1
95.04952	3.5
95.08596	7.2
96.04470	1.2
96.08099	2.1
97.06531	4.2
97.10177	12.7
97.74787	0.9
98.06055	35.0
98.12034	0.9
104.07119	2.4
105.07015	3.6
107.04938	1.2
107.08581	5.9
109.06532	0.9
109.10161	8.8
110.06075	1.1
110.09669	1.5
111.08078	4.0
112.07603	20.5
112.11214	1.3
116.07087	4.2
117.07010	2.1
119.08586	12.7
119.09384	1.6
121.06571	1.1
121.10137	2.7
121.84706	0.8
122.06172	0.9
123.08099	4.2
124.07578	9.4
125.09634	9.0
126.05540	5.8
126.09148	2.2
126.48750	0.9
130.08658	8.2
131.08585	1.2
133.10089	1.5
135.08066	2.2
136.07622	1.0
137.05963	4.1
137.09618	34.2
138.05490	3.8
138.09201	0.9
140.07076	1.7
140.10681	1.2
144.06529	2.2
144.10207	1.4
147.11682	1.3
148.07545	1.1
153.09090	1.3
154.12253	4.7
156.06607	1.5
156.10208	11.7
158.08098	2.5
161.09270	1.0
174.11255	19.2
175.11304	1.8
176.10663	1.6
184.13306	1.2
186.14876	2.4
193.12219	8.6
198.14667	0.8
202.12148	1.1
203.12785	1.5
204.13840	2.2
208.13324	3.9
222.14899	12.3
225.14838	16.2
226.14392	38.2
264.15921	2.6
272.18558	100.0
273.18689	2.0
282.16824	0.9
298.20102	1.4
305.21072	1.9
308.18555	3.4
314.19598	16.7
326.13666	0.9
326.19614	1.0
328.21210	9.9
340.21082	1.2
359.47827	0.9
366.26288	1.7
382.23660	8.5
408.27499	8.5
415.80075	1.0
426.28632	63.7
427.27783	1.0
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
51.63554	3.1
55.05500	11.7
57.07081	7.9
59.22639	3.8
60.80411	3.3
66.31001	3.5
67.05512	24.2
69.07063	28.8
79.05497	11.7
81.07059	52.8
83.08621	13.8
86.09693	13.4
88.56918	3.3
91.05482	8.2
93.07053	34.0
95.08605	95.8
97.10154	5.7
98.21501	8.8
105.07027	22.7
107.08598	55.4
109.10161	58.9
110.74121	3.5
111.11710	10.5
116.71056	3.9
117.07002	4.4
119.08587	36.0
121.10149	45.9
123.08103	4.9
123.11704	30.6
125.13280	3.8
131.08630	6.1
133.10124	31.7
135.11699	36.6
137.13246	15.9
145.10146	13.5
147.11682	20.5
149.13287	27.1
151.14833	6.3
157.10086	3.9
159.11658	10.3
161.13312	20.2
163.14812	18.3
171.11783	3.9
173.13234	12.1
173.99962	3.3
175.14809	12.8
176.53397	3.5
177.16383	14.3
179.14299	3.3
179.17902	4.0
187.14774	11.8
189.16342	20.3
191.17899	16.8
203.17897	13.2
205.19554	13.8
207.17537	5.4
215.17903	6.9
217.19540	16.0
218.69258	3.4
219.17551	5.0
229.19467	8.4
231.21083	11.8
242.97035	4.3
243.21062	17.9
245.22697	11.3
255.21198	5.7
257.22620	8.4
259.24179	9.0
269.22528	14.3
271.24191	10.1
285.25851	10.2
297.25888	4.3
311.27292	5.8
329.28268	10.3
407.36780	30.8
425.21454	19.1
425.37909	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03935	2.1
55.05513	9.0
56.39277	1.2
57.07070	2.3
57.93442	1.4
63.72940	1.5
65.03931	1.5
67.05507	15.2
69.07063	19.8
70.53654	4.1
79.05491	8.1
81.07052	35.5
83.08629	6.0
89.06020	1.6
91.05489	6.1
92.55429	1.3
92.56593	1.3
93.07049	16.9
95.08608	67.0
97.06519	2.7
97.10178	3.8
105.07022	15.2
107.08600	30.6
109.06510	2.4
109.10155	51.6
111.11765	7.5
112.19077	1.5
117.07060	1.5
119.08575	21.3
121.10137	32.8
123.08127	1.8
123.11703	21.6
125.09621	1.7
131.08585	4.1
133.10126	19.0
135.11702	24.6
137.13261	13.7
145.10115	7.6
147.11693	17.7
149.13249	14.0
151.14798	2.8
157.10202	1.6
159.11691	9.3
161.13258	14.0
163.14815	12.6
165.12753	1.5
173.13298	6.5
175.14790	10.3
177.16429	9.2
179.14316	4.7
179.17923	2.4
187.14816	4.3
189.16380	13.9
191.17964	18.1
201.16379	6.1
203.17966	11.1
205.19550	10.9
207.17526	6.4
213.16473	2.5
215.17946	8.7
217.19588	9.9
229.19504	5.5
231.21098	4.3
233.19066	2.8
243.21089	5.5
245.22650	12.6
247.20593	12.2
255.21208	2.4
257.22641	4.0
259.24167	3.5
261.22095	3.0
269.22775	4.0
271.24106	3.7
273.25824	2.7
285.25742	3.9
289.25458	1.7
297.26196	1.8
301.25275	2.0
311.27429	2.5
407.36734	25.3
425.21362	2.3
425.37796	100.0
441.88754	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56668	1.1
55.05504	6.4
56.05846	1.5
56.43521	1.2
56.96566	73.0
57.07068	3.1
57.09347	1.1
64.07310	1.1
67.00916	1.1
67.05495	4.5
69.03429	1.3
69.07059	5.3
70.98125	19.4
71.08618	1.6
71.56309	1.5
71.95258	2.8
79.05486	5.3
81.07060	7.0
83.08602	3.7
84.96048	2.0
86.09708	1.8
88.99146	4.0
91.05472	4.6
93.07045	4.4
95.08598	7.9
97.02899	1.9
97.06506	1.5
97.10168	3.5
97.99207	1.2
98.91957	3.3
98.97591	43.3
99.08077	2.0
105.07023	4.8
106.12945	1.2
107.08598	5.0
109.10155	2.7
110.97546	1.6
111.08140	1.2
115.00706	2.4
116.98624	20.1
119.08585	2.8
121.10130	3.4
123.01231	1.5
127.00686	3.3
128.98621	1.8
131.08566	1.6
133.10120	4.5
134.99699	6.4
135.00533	1.3
135.11668	1.9
136.93100	6.9
139.00677	2.4
140.00230	3.8
141.02228	4.4
145.01729	1.6
145.10124	3.3
145.20358	1.4
147.07950	1.3
147.11687	3.0
149.13191	1.1
151.00655	1.4
153.02255	3.4
154.94179	10.3
155.03790	7.3
157.10129	1.9
159.03329	5.3
159.11684	1.9
165.02341	1.4
169.01726	1.5
169.05386	2.1
171.03293	4.6
171.11688	3.0
172.08832	1.2
172.95222	7.8
173.04881	9.2
173.13228	1.9
174.21715	1.2
175.14879	2.3
177.04329	1.5
181.05313	1.6
184.07321	1.5
185.04910	3.1
187.02791	1.6
187.06416	5.4
187.14853	2.2
189.02322	1.3
189.04318	1.5
190.96288	2.3
191.05928	1.8
193.05363	2.9
195.07033	1.3
196.06439	2.1
199.06563	2.1
199.14818	1.8
201.07986	1.3
201.16640	1.6
203.05820	1.3
205.05466	1.6
205.07501	3.0
207.06927	3.5
209.04802	1.6
209.08484	3.4
211.06425	3.6
213.07950	2.0
217.05383	2.4
219.06947	1.6
221.08595	2.2
223.06479	3.4
223.10205	1.9
225.08015	5.1
227.09538	4.2
228.97803	3.5
229.07469	1.5
231.07030	2.4
233.08563	5.1
235.06392	2.3
235.10097	2.9
237.08017	5.0
239.09589	4.2
241.07365	1.5
241.11128	2.7
243.09067	1.6
245.10725	1.6
246.98882	1.6
247.06471	1.4
249.07988	4.0
251.09526	29.2
253.07317	1.8
253.10950	1.8
255.09154	5.7
257.10736	2.0
265.07928	2.5
265.11096	38.0
267.09052	7.8
269.10620	48.4
274.11200	2.1
281.10730	2.9
283.12170	100.0
284.12650	2.1
285.09943	5.5
287.11703	6.9
292.12222	7.4
297.10092	1.3
299.11633	7.0
301.13248	10.7
306.13788	12.3
311.11713	16.7
311.25854	3.7
312.26324	2.4
315.16321	1.6
317.12769	1.4
322.13345	2.0
324.14890	3.7
325.13223	45.1
329.12726	2.7
333.17303	3.2
341.12717	5.9
343.14044	2.0
344.75378	1.2
347.18967	3.7
351.18503	7.3
352.14355	2.0
363.08508	2.3
365.19968	17.3
369.19461	1.8
383.20993	4.1
406.22556	1.3
407.21024	6.0
407.33051	2.7
419.11389	2.1
425.22110	81.9
425.34048	4.1
443.23373	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56668	1.1
55.05504	6.4
56.05846	1.5
56.43521	1.2
56.96566	73.0
57.07068	3.1
57.09347	1.1
64.07310	1.1
67.00916	1.1
67.05495	4.5
69.03429	1.3
69.07059	5.3
70.98125	19.4
71.08618	1.6
71.56309	1.5
71.95258	2.8
79.05486	5.3
81.07060	7.0
83.08602	3.7
84.96048	2.0
86.09708	1.8
88.99146	4.0
91.05472	4.6
93.07045	4.4
95.08598	7.9
97.02899	1.9
97.06506	1.5
97.10168	3.5
97.99207	1.2
98.91957	3.3
98.97591	43.3
99.08077	2.0
105.07023	4.8
106.12945	1.2
107.08598	5.0
109.10155	2.7
110.97546	1.6
111.08140	1.2
115.00706	2.4
116.98624	20.1
119.08585	2.8
121.10130	3.4
123.01231	1.5
127.00686	3.3
128.98621	1.8
131.08566	1.6
133.10120	4.5
134.99699	6.4
135.00533	1.3
135.11668	1.9
136.93100	6.9
139.00677	2.4
140.00230	3.8
141.02228	4.4
145.01729	1.6
145.10124	3.3
145.20358	1.4
147.07950	1.3
147.11687	3.0
149.13191	1.1
151.00655	1.4
153.02255	3.4
154.94179	10.3
155.03790	7.3
157.10129	1.9
159.03329	5.3
159.11684	1.9
165.02341	1.4
169.01726	1.5
169.05386	2.1
171.03293	4.6
171.11688	3.0
172.08832	1.2
172.95222	7.8
173.04881	9.2
173.13228	1.9
174.21715	1.2
175.14879	2.3
177.04329	1.5
181.05313	1.6
184.07321	1.5
185.04910	3.1
187.02791	1.6
187.06416	5.4
187.14853	2.2
189.02322	1.3
189.04318	1.5
190.96288	2.3
191.05928	1.8
193.05363	2.9
195.07033	1.3
196.06439	2.1
199.06563	2.1
199.14818	1.8
201.07986	1.3
201.16640	1.6
203.05820	1.3
205.05466	1.6
205.07501	3.0
207.06927	3.5
209.04802	1.6
209.08484	3.4
211.06425	3.6
213.07950	2.0
217.05383	2.4
219.06947	1.6
221.08595	2.2
223.06479	3.4
223.10205	1.9
225.08015	5.1
227.09538	4.2
228.97803	3.5
229.07469	1.5
231.07030	2.4
233.08563	5.1
235.06392	2.3
235.10097	2.9
237.08017	5.0
239.09589	4.2
241.07365	1.5
241.11128	2.7
243.09067	1.6
245.10725	1.6
246.98882	1.6
247.06471	1.4
249.07988	4.0
251.09526	29.2
253.07317	1.8
253.10950	1.8
255.09154	5.7
257.10736	2.0
265.07928	2.5
265.11096	38.0
267.09052	7.8
269.10620	48.4
274.11200	2.1
281.10730	2.9
283.12170	100.0
284.12650	2.1
285.09943	5.5
287.11703	6.9
292.12222	7.4
297.10092	1.3
299.11633	7.0
301.13248	10.7
306.13788	12.3
311.11713	16.7
311.25854	3.7
312.26324	2.4
315.16321	1.6
317.12769	1.4
322.13345	2.0
324.14890	3.7
325.13223	45.1
329.12726	2.7
333.17303	3.2
341.12717	5.9
343.14044	2.0
344.75378	1.2
347.18967	3.7
351.18503	7.3
352.14355	2.0
363.08508	2.3
365.19968	17.3
369.19461	1.8
383.20993	4.1
406.22556	1.3
407.21024	6.0
407.33051	2.7
419.11389	2.1
425.22110	81.9
425.34048	4.1
443.23373	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1808
Annotation	[3aR-(3aR*,5E,9Z,11aR*)]- 2,3,3a,4,7,8,11,11a-Octahydro-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid
Peak:m/z	Relative Intensity
52.35184	3.0
52.65176	2.9
53.03947	4.3
55.05507	3.9
57.07479	2.7
67.05540	3.5
69.03425	14.5
69.64368	19.2
79.05479	4.5
81.03397	4.9
81.07052	5.8
83.04996	35.8
85.02908	10.9
91.05490	6.0
93.07050	7.5
95.04979	7.8
95.08592	3.8
97.02899	9.3
97.06527	11.9
98.21491	5.9
98.97564	4.3
99.04456	16.4
101.33270	3.2
103.03944	10.3
105.07020	8.8
107.08570	7.8
109.02901	16.9
109.03506	2.7
112.48866	3.6
119.08581	8.1
121.06519	7.1
123.04423	4.1
127.03918	16.1
128.06262	4.5
129.07033	7.5
131.08549	8.2
133.10152	5.3
135.07118	5.5
135.08060	69.4
137.05969	6.6
137.09581	3.6
138.03639	2.8
141.06964	4.0
142.07782	6.1
143.08583	11.6
145.06454	3.4
145.10086	4.4
147.08075	5.2
149.09636	8.6
153.06964	4.3
155.08530	7.4
156.09375	15.4
157.10110	12.8
158.07301	5.9
159.08020	11.5
159.11725	8.5
163.07539	4.6
165.07047	5.1
166.07748	6.0
168.09390	6.5
169.10112	3.6
171.08122	11.0
171.11688	11.3
172.08838	9.4
173.05952	3.3
173.09648	23.7
175.07611	4.7
177.08960	3.7
181.10144	9.3
183.11662	6.8
184.08807	8.6
185.09637	11.8
186.10442	6.4
187.11198	16.6
189.12721	3.7
195.04575	3.8
199.11198	44.1
203.07443	3.7
203.10661	31.3
209.09601	11.3
211.07521	3.4
212.08318	14.9
215.10681	85.0
217.12248	7.3
227.10689	55.4
227.12708	1.9
233.11740	43.9
245.11749	100.0
263.12769	34.2
346.16187	5.3
363.20355	3.5
371.14999	16.0
381.15070	8.7
389.15701	5.5
425.13776	34.3
425.21808	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	425.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
67.05495	2.6
68.05830	1.1
69.03412	1.3
69.07063	2.7
70.29711	2.2
71.04995	1.0
79.05490	3.1
81.03383	1.6
81.07052	7.8
85.02946	1.2
91.03976	1.8
91.05480	3.2
93.07050	1.7
95.08608	3.4
97.06523	4.4
98.21432	1.5
101.00890	2.9
105.07017	2.7
107.08582	2.9
109.10188	1.5
119.01923	3.6
119.08559	3.1
130.40660	1.0
131.08530	1.1
133.10106	1.7
137.05968	3.8
138.06300	1.2
143.01910	4.1
145.10066	1.5
157.03503	1.9
157.10112	1.2
160.08524	1.0
161.02946	4.4
175.04512	1.4
185.02953	1.4
187.00916	3.7
190.02058	1.1
201.03723	1.0
203.05435	2.0
227.05313	1.1
229.01959	3.8
233.11836	1.2
243.04851	7.2
245.06290	7.4
247.02898	1.5
253.09749	1.1
271.04446	1.6
287.03729	83.3
289.05307	70.6
309.62228	1.4
381.18649	6.3
400.02548	1.1
401.30914	1.1
425.17773	100.0
425.24869	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	425.1809
Annotation	Ainslioside
Peak:m/z	Relative Intensity
53.03944	4.9
55.05505	7.6
56.22256	1.8
61.79445	2.3
67.05505	3.8
69.03432	15.5
69.50655	13.7
70.06599	2.0
71.04980	1.6
79.05492	3.9
81.03430	5.0
81.07063	5.0
83.04985	38.9
84.70390	1.9
85.02914	7.1
87.04456	1.9
91.05500	7.1
93.07060	6.9
95.04973	5.6
95.08630	2.8
97.02892	10.0
97.06540	8.5
98.21487	2.7
99.04469	17.3
103.03945	6.2
105.07039	8.0
107.08598	7.1
109.02888	15.7
109.06529	3.5
111.04473	3.7
111.08090	2.1
117.07034	1.9
119.08569	8.9
121.06500	6.4
123.04459	3.3
123.08088	3.6
127.03926	15.7
128.06271	2.7
129.07025	5.6
131.08565	6.5
133.06525	3.3
133.10106	2.9
135.08060	69.6
137.06044	4.8
141.06992	3.0
142.07770	7.9
143.08568	13.5
145.06512	3.1
145.10153	4.1
147.08099	3.4
149.09621	9.8
153.06966	5.4
153.72882	2.0
154.07706	2.7
155.08566	7.1
156.09344	11.7
157.06454	3.1
157.10124	11.2
158.07356	4.0
159.08060	11.4
159.11697	8.0
161.06064	2.1
161.09647	2.9
163.07507	2.4
165.07066	5.4
165.09094	3.9
166.07782	6.2
168.09358	8.1
169.06458	3.4
169.10117	3.3
171.08070	15.7
171.11711	14.1
172.08855	7.5
173.09642	15.7
173.13252	3.5
175.07616	2.8
175.11174	2.2
175.14745	2.4
181.10118	6.7
183.11673	8.8
184.08800	13.5
185.09671	12.0
186.10413	5.2
187.07555	2.1
187.11201	16.8
189.09013	2.5
189.12747	2.8
194.07288	2.4
197.05971	3.5
197.09584	3.0
199.09473	3.8
199.11192	48.4
200.08244	3.0
201.12677	3.2
203.10670	32.6
209.09673	10.9
212.08315	17.0
215.10686	89.3
217.12300	9.7
227.10667	59.0
233.11734	33.7
245.11743	100.0
263.12827	30.6
308.93893	2.0
314.98660	2.0
371.14905	20.0
388.09833	2.0
389.16016	3.5
425.12286	2.3
427.60028	1.9
427.67523	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03470	2.2
54.58797	0.5
55.01862	1.0
55.04258	1.3
55.05515	1.5
56.96563	1.5
57.03429	1.7
57.07079	0.6
61.02932	1.4
65.03941	0.6
67.05503	5.9
69.03431	4.8
69.07075	1.3
70.06590	1.6
70.98150	0.6
71.04993	14.2
73.02934	0.8
79.05499	1.5
80.05024	1.0
81.03427	2.1
81.04543	17.4
81.07059	13.6
82.05322	5.4
85.02429	1.0
85.02908	10.8
85.06550	3.7
87.00820	1.5
87.04479	0.6
91.03951	0.6
91.05474	0.6
95.04980	0.6
95.08606	1.6
97.02892	4.9
97.06484	0.7
98.06052	0.9
98.97586	2.9
99.04458	0.8
99.08109	0.7
105.01866	0.8
105.07082	0.8
109.02880	2.2
110.97581	1.0
114.03737	0.6
115.03941	1.2
116.98613	1.0
120.08092	1.3
122.07153	100.0
123.07936	57.6
123.11695	4.7
124.07595	0.9
127.03925	3.4
128.98616	0.5
141.12746	20.4
142.03224	2.5
145.04970	1.7
153.44696	0.6
159.13808	15.3
177.14876	5.0
184.78130	0.5
200.10651	0.8
217.13466	0.9
219.01703	1.0
236.06252	1.0
236.56021	0.8
237.02820	0.9
243.05406	1.5
245.12862	2.8
252.48189	0.6
263.09656	1.2
263.13968	4.2
273.06451	1.4
281.10669	4.3
283.08206	0.6
292.09558	0.5
299.04370	0.7
323.11670	0.9
340.06705	0.8
344.61166	0.7
358.08163	1.2
363.10770	0.8
363.14859	9.2
365.12787	1.6
381.15018	0.7
407.13788	1.0
425.14761	80.7
426.14981	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
67.05495	2.6
68.05830	1.1
69.03412	1.3
69.07063	2.7
70.29711	2.2
71.04995	1.0
79.05490	3.1
81.03383	1.6
81.07052	7.8
85.02946	1.2
91.03976	1.8
91.05480	3.2
93.07050	1.7
95.08608	3.4
97.06523	4.4
98.21432	1.5
101.00890	2.9
105.07017	2.7
107.08582	2.9
109.10188	1.5
119.01923	3.6
119.08559	3.1
130.40660	1.0
131.08530	1.1
133.10106	1.7
137.05968	3.8
138.06300	1.2
143.01910	4.1
145.10066	1.5
157.03503	1.9
157.10112	1.2
160.08524	1.0
161.02946	4.4
175.04512	1.4
185.02953	1.4
187.00916	3.7
190.02058	1.1
201.03723	1.0
203.05435	2.0
227.05313	1.1
229.01959	3.8
233.11836	1.2
243.04851	7.2
245.06290	7.4
247.02898	1.5
253.09749	1.1
271.04446	1.6
287.03729	83.3
289.05307	70.6
309.62228	1.4
381.18649	6.3
400.02548	1.1
401.30914	1.1
425.17773	100.0
425.24869	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	425.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87522	0.9
55.05516	1.9
56.96302	1.6
56.96567	24.2
59.04996	0.8
67.05479	1.4
69.03421	3.0
70.06592	2.9
70.22671	3.9
71.04986	1.5
73.02927	1.1
81.07050	3.2
83.04982	1.3
84.96020	4.2
85.02905	6.0
85.06519	1.0
86.09730	1.1
91.05478	1.4
93.07030	1.6
95.04955	1.1
95.08592	3.3
97.02879	4.4
98.97588	28.9
107.08557	1.0
109.06535	1.8
110.97570	10.3
112.99129	2.4
116.98621	10.2
121.10179	1.0
122.07126	2.1
123.07984	2.2
124.99076	1.2
127.03917	1.2
128.98613	7.2
131.00146	1.5
133.10150	2.3
134.99677	1.4
137.05980	1.4
139.95549	0.9
141.09148	1.1
141.12723	2.8
143.00185	4.8
144.98080	1.2
145.10100	1.5
146.99692	1.7
147.04449	1.2
158.99706	4.5
159.10092	1.2
159.13847	1.4
161.01198	4.0
163.00708	1.1
163.02773	1.2
170.99619	3.0
175.06238	1.8
177.00697	3.8
177.02122	1.8
183.39427	0.9
184.06757	1.1
189.00769	2.2
191.00153	2.2
191.14412	0.9
195.03322	4.3
201.00681	2.2
209.01192	1.2
210.15697	1.4
213.04346	4.2
219.01755	13.0
221.01175	8.6
222.08342	1.1
228.82155	1.0
237.02820	15.0
239.02267	23.4
241.08289	3.9
257.03311	6.4
262.14630	1.4
263.02182	1.3
263.14725	2.5
281.03256	2.8
312.91403	1.0
365.05441	100.0
366.05746	1.2
383.06479	6.3
389.14899	1.8
406.07803	2.2
407.12109	1.3
425.18417	8.5
445.17514	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18306	0.5
68.13135	0.5
69.91334	2.6
71.08835	0.5
82.99811	3.2
94.99854	0.8
97.02888	1.1
101.00881	20.0
113.00845	4.2
119.01924	13.2
126.77434	0.5
127.02441	5.0
131.01915	7.3
137.02972	0.9
139.02406	2.1
143.01906	39.1
145.03484	6.1
155.01897	17.1
157.03468	5.2
161.02963	33.4
163.04550	0.8
167.01906	12.2
168.22255	0.5
169.03450	2.8
171.05028	1.6
173.01424	0.7
173.02963	15.5
179.01897	5.4
179.04144	0.6
181.03416	0.6
184.04549	0.8
185.02963	27.8
187.04552	2.6
191.02089	0.6
191.04025	3.0
197.02945	11.5
203.04001	12.6
208.04533	0.7
209.03012	1.0
215.04005	6.2
216.03781	0.6
221.05064	1.2
227.03995	7.5
233.04991	0.8
239.03958	0.7
239.06169	0.6
245.05077	100.0
245.52148	0.6
246.05272	1.5
257.05011	6.2
263.06134	26.1
274.50369	0.6
275.06116	15.5
293.07166	3.1
305.07184	10.0
317.07156	0.8
335.08273	3.5
355.40408	0.5
365.09296	8.9
425.11475	5.6
432.15671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85034	1.3
53.03932	3.4
55.05508	13.6
56.96576	2.9
57.03431	3.9
59.04983	2.0
62.06081	3.5
67.05496	5.3
69.03438	10.2
69.07056	5.1
70.06602	6.7
70.13660	1.8
70.14014	5.5
71.04986	3.5
72.08134	2.8
74.09721	2.4
79.05481	4.5
81.03407	5.5
81.07067	12.3
83.04959	9.4
83.08617	11.9
84.08146	2.7
85.02911	24.7
85.06534	4.8
86.09689	2.0
87.00835	4.9
87.04485	1.6
91.05475	5.5
93.07037	10.1
95.04967	17.7
95.08611	10.0
97.02888	7.7
97.06532	8.2
97.10168	3.3
98.21439	1.7
98.97581	4.0
99.04485	8.3
99.08080	4.7
101.05978	1.5
105.01855	3.9
105.07025	5.2
107.08584	14.7
109.02866	2.7
109.06534	6.3
109.10167	7.0
109.46818	1.2
110.08763	1.3
110.97577	1.6
111.08075	3.2
113.09646	2.8
115.03864	2.2
115.07564	6.3
119.04910	1.6
119.06062	1.3
119.08589	5.4
120.08076	2.1
121.10151	38.6
123.00715	1.3
123.08067	7.1
123.11691	5.0
124.03979	2.4
125.09641	2.7
127.03909	11.4
129.10284	2.3
131.08536	2.9
132.99678	1.4
133.04961	3.2
133.10162	8.9
135.11679	3.5
137.05994	6.4
141.09108	17.0
145.04927	6.2
147.04483	1.6
147.11682	4.4
149.13257	3.7
151.11198	17.2
153.09100	8.8
155.07048	2.0
158.06006	3.8
158.99614	2.3
159.02811	1.4
159.10162	38.0
162.05565	2.7
163.14815	9.8
164.07066	13.5
167.08438	1.3
167.14319	15.9
173.13240	8.5
175.14871	3.2
191.14331	14.6
209.15376	100.0
213.12286	1.3
214.17992	1.9
219.01888	2.2
226.18065	4.4
227.12889	2.1
227.16376	9.9
233.82178	1.4
237.03105	1.8
244.19139	1.9
255.05858	1.5
262.10620	2.0
262.11490	2.4
262.14410	25.6
424.14136	3.0
424.19852	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	424.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.8
55.01866	6.4
55.05503	1.4
57.03442	1.0
61.02911	1.1
67.05491	2.7
67.85267	0.6
69.03434	3.1
69.07061	6.8
69.65493	3.5
71.04975	1.9
79.05499	3.1
81.03410	1.3
81.07053	5.4
83.04954	1.1
84.08143	0.7
85.02911	5.0
85.06538	3.6
86.09705	1.0
87.04462	0.6
91.05476	2.6
93.07035	7.4
95.04956	2.3
95.08607	7.7
97.02881	2.2
97.06535	8.5
98.21523	0.7
99.04460	4.6
105.07028	7.3
107.04908	0.8
107.08592	23.5
109.06515	3.8
109.10124	1.8
109.14534	0.6
111.03152	0.8
111.08044	2.4
113.05990	2.9
117.06977	1.1
119.08564	2.4
121.06533	3.8
121.10135	7.3
123.08096	3.4
123.08834	0.7
124.99998	0.6
125.05959	0.9
127.03907	1.6
127.07399	0.6
131.08536	0.8
135.08035	1.7
135.11713	5.0
139.07559	0.7
139.11130	1.3
145.04950	1.2
145.10117	7.2
147.11667	1.8
149.09607	3.1
151.07526	5.1
163.11185	20.1
167.10686	9.0
169.08604	61.7
173.09590	1.8
181.12231	11.8
184.07318	1.3
185.11780	3.5
191.10690	7.5
209.11768	10.2
227.12781	100.0
228.13145	0.8
245.13823	3.0
246.14946	0.8
314.10413	0.6
424.17233	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58121	0.5
55.01623	1.0
55.01871	8.0
55.05518	0.8
57.03455	0.7
61.02909	1.4
64.53217	0.6
65.35532	0.6
66.46702	0.6
67.05496	2.9
68.81482	0.6
69.03431	4.5
69.07070	6.0
69.43675	3.7
69.44089	1.3
71.04980	1.9
79.05495	4.0
81.03402	0.9
81.07048	5.3
83.04971	1.3
85.02901	5.8
85.06552	4.4
91.05483	2.1
93.07042	7.6
95.04955	1.7
95.08614	7.4
97.02888	1.9
97.06536	8.0
99.04468	4.1
105.07047	7.0
107.08596	26.6
109.06525	4.4
109.10196	0.6
111.08088	1.9
113.06004	2.5
115.03960	0.8
115.09725	0.6
119.08585	2.2
119.52260	0.6
121.06522	4.7
121.10139	7.6
123.08046	5.6
127.03950	1.1
127.07517	0.9
128.92805	0.6
131.08540	1.0
135.08084	1.6
135.11687	6.5
137.05878	0.9
139.11163	1.3
145.04976	0.8
145.10127	6.6
145.95444	0.6
147.11684	1.7
149.09636	4.1
151.07535	5.4
153.12755	1.1
153.74725	0.6
157.08630	1.1
163.11185	23.8
163.26955	0.6
167.10692	9.7
169.08606	73.3
173.09615	1.0
181.12228	14.1
181.13715	1.1
184.07294	0.9
185.11766	4.4
191.10677	8.6
198.08908	0.6
209.11728	11.5
227.12784	100.0
228.13274	1.5
245.13885	3.5
289.29605	0.7
297.72406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.9
56.96559	7.6
63.87030	2.5
64.14558	2.3
67.05473	3.0
69.03409	15.2
69.07060	7.9
69.94185	2.4
70.06596	16.7
71.04977	5.1
71.06908	3.1
71.55994	4.0
72.08151	7.2
79.05479	4.6
81.03390	5.4
81.07065	15.4
83.04987	6.6
83.08595	4.3
84.08121	4.4
85.02906	29.7
85.06554	5.9
86.09687	3.8
87.00813	5.4
91.05457	10.1
93.07041	5.2
95.04977	16.8
95.08588	13.9
97.02938	12.9
97.06513	11.3
98.97567	16.2
99.04456	8.3
99.08070	5.1
104.07105	4.4
105.07022	4.8
107.08592	8.6
109.02869	5.2
109.06511	7.6
109.10147	8.8
110.97585	4.6
111.08077	5.2
113.09653	2.6
115.07547	6.3
119.04930	14.3
119.08626	6.1
121.10188	14.1
123.04422	3.0
123.08060	8.5
124.03896	2.9
127.03937	12.9
128.98650	2.9
133.10124	9.2
135.11697	2.7
136.07634	3.3
137.05966	11.3
141.09106	29.4
145.04955	8.3
147.03229	4.9
147.04413	100.0
147.11664	3.3
149.09570	2.8
149.13258	2.8
151.11197	6.2
153.09068	6.1
158.06006	3.4
158.99677	3.9
159.10178	37.7
163.14787	2.8
164.07080	45.8
165.04166	4.8
165.05490	73.1
167.14330	5.9
173.13232	8.8
175.14822	10.6
176.07091	2.9
180.08676	10.3
182.08104	6.7
191.14273	8.7
193.15891	4.2
202.12582	2.4
209.11769	4.4
209.15411	36.6
211.14461	2.6
213.12276	3.4
219.01854	6.4
220.13377	2.9
227.12785	5.8
227.16400	8.5
231.04890	3.4
236.98900	2.8
237.02785	3.9
239.02155	5.3
244.09506	3.4
262.14377	88.6
285.12546	3.1
365.05408	22.4
379.89380	2.6
383.02460	4.1
424.14450	4.6
424.16183	3.7
424.19534	21.6
424.25211	4.1
425.10382	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38733	1.8
53.03949	2.0
55.05510	18.2
56.96569	2.0
57.03435	2.6
57.07078	5.2
67.05506	37.3
68.02441	1.9
69.03417	2.8
69.07064	23.5
71.04994	3.9
71.08633	2.3
71.57078	2.6
79.05495	22.8
81.03445	2.8
81.07055	52.6
82.78207	1.9
83.04990	2.5
83.08611	13.8
84.08189	2.6
85.02923	3.2
85.06562	2.3
86.50239	1.8
91.05485	23.8
93.07049	40.6
93.07632	3.0
95.04987	4.6
95.08611	80.9
97.02907	2.1
97.06546	4.8
97.10165	4.8
99.08097	4.0
105.07034	49.3
107.08598	64.1
107.09295	3.6
109.06504	4.6
109.10155	46.8
111.08116	4.0
111.11741	2.4
117.06987	10.3
119.08583	87.3
121.10144	49.9
123.08093	5.6
123.11720	23.6
129.07028	5.1
130.08673	3.3
131.08585	15.8
133.10124	47.9
135.08115	2.5
135.11693	35.9
137.09679	2.6
137.13275	7.9
141.07007	2.7
143.08569	10.3
144.45737	1.8
145.10133	27.0
147.11687	36.7
149.13258	29.2
151.14792	3.4
155.08716	2.2
156.09435	2.7
157.10121	12.2
158.10855	2.4
159.11705	29.5
161.13252	25.0
163.14801	16.9
166.60257	1.8
169.10135	5.0
171.11662	12.3
173.11836	3.0
173.13264	23.0
175.11285	2.0
175.14836	20.7
177.12846	2.5
177.16368	13.7
179.14354	6.4
181.10062	2.1
183.11752	6.0
185.13261	9.8
187.14798	18.6
189.16388	26.6
191.17960	11.3
195.12030	2.4
197.13396	4.4
199.14883	8.5
201.16388	17.6
203.17963	31.7
205.16010	2.9
209.13350	2.4
211.14862	3.2
211.51448	2.1
213.16530	6.1
215.17938	14.9
217.16023	2.5
217.19548	9.8
219.17548	7.0
225.16409	5.0
227.17963	7.1
229.19620	7.9
231.21136	2.6
233.19006	2.9
241.19583	5.2
243.21068	10.4
247.20728	2.0
253.19608	2.0
255.21028	2.7
257.22717	3.0
259.20804	2.9
261.22198	4.2
267.21170	5.8
269.22601	16.8
273.22128	3.2
277.13873	2.1
281.22702	2.8
283.24350	3.9
285.22220	6.4
287.23828	4.0
295.24313	2.7
297.25958	2.2
299.23929	1.9
313.25485	6.4
335.27438	5.3
358.16400	4.9
369.24075	2.3
405.35248	35.6
423.27313	9.0
423.36423	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50518	0.5
53.03941	0.7
55.01873	1.3
55.05514	6.8
56.96557	1.1
57.03432	2.4
57.07079	3.1
59.72433	0.5
60.08149	0.8
67.05506	11.0
69.03427	0.7
69.06730	0.8
69.07078	8.1
71.04986	1.3
71.08635	3.4
71.57362	0.6
72.64695	0.5
73.96516	0.5
75.04465	0.6
79.05495	5.7
81.07059	14.6
83.04958	1.1
83.08624	5.4
85.06536	2.0
86.09697	2.4
91.05485	3.9
93.07038	9.7
95.04955	0.8
95.08609	11.9
97.02919	0.5
97.06515	3.1
97.10168	1.8
98.97604	1.2
99.08110	1.4
104.10744	2.2
105.07022	6.2
107.08604	9.0
109.06522	10.1
109.10155	6.5
111.08074	1.2
117.07024	1.2
119.08592	8.9
121.06510	0.7
121.10130	7.0
123.08071	37.5
123.11692	2.8
125.09612	1.0
131.08572	3.2
133.10133	5.1
135.08054	7.1
135.11710	3.8
136.93149	1.4
137.09621	2.6
137.13255	1.0
143.08539	0.7
145.10088	2.9
147.11685	4.1
149.09641	2.6
149.13274	3.3
151.11240	1.2
154.94220	1.4
157.10172	1.3
159.11739	3.0
161.09660	0.9
161.13289	2.2
163.11269	0.7
163.14806	1.5
165.12784	1.2
167.14368	0.6
171.11769	1.0
172.95277	1.7
173.13287	2.7
175.14804	1.2
177.12753	2.8
177.16408	0.8
179.14313	37.7
182.99005	0.7
184.07394	1.4
187.14813	1.4
189.16447	1.6
191.14290	0.8
191.18024	1.1
193.15897	1.2
201.16396	1.4
203.17909	1.3
205.15942	2.3
215.17894	1.2
228.97945	0.7
233.19092	1.1
247.20715	0.6
257.19052	0.8
263.20111	1.2
275.20053	3.1
289.25165	0.7
293.21106	2.1
303.26880	3.1
311.25723	1.2
312.12717	0.9
331.26328	25.6
349.27325	7.7
351.26877	0.8
353.17932	0.7
363.18454	1.3
367.24637	1.3
389.26447	1.1
405.30112	1.5
405.35275	1.2
413.77756	0.9
423.31104	100.0
424.31424	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96370	0.4
53.03934	0.7
55.01852	0.7
55.05517	6.4
56.96557	1.1
57.03437	2.2
57.07083	2.5
59.04993	0.4
67.05503	9.3
67.22545	0.4
69.03430	0.7
69.07072	9.7
71.04996	0.9
71.08629	2.3
71.17007	0.8
75.04484	0.7
76.44989	0.4
79.05499	6.1
81.07059	12.5
82.03641	0.4
83.04984	1.4
83.08624	5.2
85.06528	1.5
85.10194	0.5
91.05477	4.0
93.07047	8.3
95.04947	1.0
95.08611	9.4
97.06554	2.2
97.10192	2.2
98.97601	1.1
99.08099	1.4
105.07042	5.3
107.04929	0.6
107.08588	6.2
109.06524	11.6
109.10154	5.1
111.08066	1.5
111.11729	0.9
115.09662	0.5
117.07060	0.8
118.92138	0.4
119.08594	5.3
121.06503	0.8
121.10139	4.7
122.07298	0.9
123.08069	35.4
123.11722	1.7
125.09589	0.6
131.08600	2.1
133.10146	3.5
135.08055	7.2
135.11653	2.3
136.93112	3.5
137.09621	1.8
137.13237	0.6
142.07872	0.4
143.08484	0.6
145.10114	3.3
147.08009	0.6
147.11673	3.0
149.09610	2.8
149.13268	1.7
151.11206	0.5
154.94196	5.1
157.10141	0.7
159.11710	2.7
161.13258	1.3
163.11183	1.0
163.14818	0.5
165.12764	1.2
167.14291	0.7
172.95248	4.3
173.11728	0.8
173.13266	0.8
175.14865	0.7
177.12776	3.8
177.95773	0.6
179.14310	41.5
190.96265	1.0
191.14342	0.8
193.15918	0.8
195.96899	0.5
201.16388	0.7
203.12729	1.0
205.15851	2.7
228.97868	2.2
233.19104	1.0
246.98924	0.9
247.20651	1.0
257.19339	0.5
263.20190	0.9
273.18625	0.5
275.20105	4.5
289.21814	0.6
289.25320	0.8
291.19693	0.5
292.19772	0.5
303.26813	3.5
311.25815	1.5
312.25858	0.6
313.25214	0.7
331.26318	29.8
332.26682	0.6
333.19751	0.6
349.27316	1.1
367.24948	1.9
423.31085	100.0
424.31363	2.4
447.18155	0.7
448.18515	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18409	2.3
53.03952	5.8
55.01869	3.6
55.05511	22.5
56.96555	2.9
57.03426	3.4
57.07069	6.9
59.05001	2.9
65.03959	2.8
67.05507	100.0
69.03429	13.1
69.07066	26.9
71.04987	9.0
71.08635	2.6
71.56749	3.6
73.02923	3.4
79.05054	4.0
79.05492	45.8
81.03411	11.2
81.07058	82.4
83.04993	6.1
83.08625	11.9
84.08138	3.3
85.02894	12.3
85.06520	2.8
91.05491	37.7
93.07049	59.9
95.04959	8.4
95.08610	51.3
97.02882	10.4
97.06502	7.6
97.10184	2.8
99.04464	5.0
101.02311	3.2
105.07035	37.2
107.04991	3.0
107.08592	41.5
109.06512	4.2
109.10155	44.0
111.04443	3.7
111.08081	5.5
111.11728	7.0
116.98689	2.5
117.07030	16.3
119.08588	32.6
121.06548	4.5
121.10142	30.7
123.08044	8.1
123.11713	8.3
127.03956	4.7
128.39160	2.5
129.05505	4.5
129.06996	7.9
129.12770	4.7
129.23796	2.3
130.08615	3.4
131.08572	27.9
133.10138	24.1
135.08069	7.6
135.11687	23.2
137.09610	4.4
139.07565	2.2
143.08572	7.1
145.10120	17.6
147.08105	3.4
147.11687	20.0
149.02365	3.0
149.09654	3.7
149.13260	15.6
155.08514	3.4
157.10135	8.3
159.07996	2.6
159.11662	19.7
161.09602	3.7
161.13252	10.5
163.14821	5.6
169.10190	3.3
171.11722	6.8
173.09648	2.7
173.11722	9.3
173.13284	15.9
175.14839	5.0
177.12810	3.6
179.14424	2.5
181.10014	2.7
183.11697	4.6
185.13239	4.6
187.11208	3.9
187.14865	7.2
189.12695	2.8
189.16335	3.6
195.13765	3.4
199.11098	2.7
199.14774	5.0
213.16339	2.7
235.07762	2.3
241.19589	2.8
243.21083	6.2
259.20584	8.3
261.22165	23.9
267.56110	2.9
277.21609	5.2
289.21811	3.0
303.23361	3.0
303.26874	2.8
313.21390	2.3
315.23422	4.3
327.23123	3.8
331.26218	17.2
341.24698	3.0
345.24454	4.3
369.24335	8.7
387.25311	11.6
405.26242	10.4
405.31024	2.9
423.21753	3.6
423.27554	43.1
423.32587	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90635	2.6
53.03931	2.6
55.05513	36.3
57.03428	11.2
57.07087	16.8
59.36460	2.4
67.05500	29.0
69.06725	4.4
69.07070	55.5
71.04977	2.4
71.08625	8.1
71.57158	2.6
79.05495	19.3
81.07057	61.3
81.74404	2.2
83.04987	6.3
83.08616	29.1
85.06534	3.5
85.10196	4.8
91.05488	13.0
93.07041	41.9
95.04957	2.4
95.08606	54.4
97.06537	7.8
97.10180	22.2
103.00797	2.3
105.07036	29.6
107.08601	43.6
109.06529	6.8
109.09460	3.6
109.10158	41.1
111.08090	5.6
111.11710	9.4
112.61134	2.5
113.00018	100.0
117.07015	5.6
118.66886	2.6
119.08575	33.5
121.10146	32.7
123.08070	4.5
123.11706	18.4
125.09654	4.4
129.07034	3.4
131.08554	15.7
133.10143	26.7
135.11702	25.9
137.13260	5.9
143.08578	6.8
145.10121	25.9
147.11685	20.7
149.13263	18.1
151.11209	2.8
157.10117	9.9
159.11687	22.0
161.09581	2.5
161.13199	14.1
163.14801	6.5
165.09123	2.9
169.02615	80.9
169.10120	3.5
171.11671	6.4
173.13235	15.2
175.14848	15.4
177.12814	3.5
177.16370	8.9
179.14314	3.2
183.11639	3.0
185.13261	8.9
187.03661	4.8
187.14799	11.5
189.16399	12.5
191.17932	5.2
199.14803	7.5
201.16409	7.8
203.14330	2.9
203.18005	14.0
211.14807	2.4
213.16426	7.2
215.17935	12.7
217.19473	5.2
219.17410	4.3
221.15701	2.4
225.16356	3.5
227.17902	5.1
229.19550	7.0
233.19032	4.3
236.15805	2.3
236.41743	3.4
236.43990	2.6
237.22115	6.6
241.19592	5.7
243.21083	5.2
257.22720	3.4
267.20975	3.8
269.22607	10.5
271.24142	3.5
283.24240	4.5
285.22165	3.9
301.53723	2.9
311.25784	82.9
331.26172	3.3
405.35593	12.0
423.31796	11.5
423.36188	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	423.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.0
53.62862	2.3
55.01865	5.8
55.05270	2.6
55.05513	38.3
57.03449	2.7
57.07074	25.2
59.05000	5.8
61.02940	3.4
64.26107	2.2
66.07153	2.5
67.05511	3.7
69.03428	27.4
69.06721	4.3
69.07066	45.6
69.60198	5.8
69.60599	14.3
71.04995	3.1
71.08641	17.5
73.06552	8.9
79.05482	5.4
81.03427	14.5
81.07066	9.6
83.04943	4.1
83.08620	100.0
85.02905	39.9
87.00824	22.7
91.05449	6.1
93.07051	3.3
94.31157	3.1
95.03398	2.9
95.04970	3.3
95.08620	4.4
97.02891	15.4
97.06542	7.1
97.10183	20.7
98.41031	2.6
99.04463	6.8
104.10715	2.8
105.01861	19.6
105.07044	5.3
107.08618	5.2
109.02866	14.9
109.06446	3.2
111.04441	2.7
119.08592	4.8
121.10119	3.1
125.54142	2.3
126.59313	2.4
127.03919	22.2
129.05464	3.2
137.06010	4.0
139.14810	32.7
145.05002	6.5
147.06505	2.9
157.14589	3.1
157.15877	59.7
159.02892	4.8
159.11610	3.5
175.07314	2.2
175.16965	2.6
184.07275	4.4
195.98848	2.6
202.41205	2.6
231.05045	6.5
250.09703	2.9
423.15884	3.3
423.23563	12.0
424.24658	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	423.2354
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
55.01873	0.7
55.05502	1.5
56.96559	1.4
57.03423	0.8
61.02926	0.9
63.98753	0.4
67.05516	3.0
69.03442	2.1
69.07076	2.0
71.05004	0.6
71.56895	0.6
73.02915	0.6
79.05490	1.9
81.03416	1.2
81.07064	3.9
82.07376	0.5
83.08620	0.6
85.02921	2.8
85.83669	0.4
86.09708	1.0
88.73039	0.4
91.05467	2.8
93.07051	2.2
93.37541	0.4
94.87266	0.4
95.04948	1.3
95.08614	2.8
97.02895	1.8
97.06528	5.0
97.10117	0.5
98.97583	0.6
99.04486	0.4
104.10754	1.2
105.07030	1.5
107.04977	0.5
107.08593	2.7
109.06528	0.9
109.10178	1.8
117.06992	0.7
119.04924	0.5
119.08592	1.8
121.06496	0.8
121.10151	1.7
123.08009	0.5
123.11687	0.7
127.03898	0.9
131.08580	1.3
133.10115	1.3
135.08052	0.5
135.11722	1.1
137.05951	2.1
138.06296	0.5
143.08554	0.6
145.04933	0.7
145.06374	0.5
145.10133	0.9
147.11711	1.0
149.13324	0.5
157.10104	0.9
159.11716	1.3
164.50807	0.4
173.13243	0.6
177.09140	0.5
177.12715	0.5
183.67784	0.5
184.07367	1.5
185.13271	0.5
189.16458	0.4
201.03789	1.4
203.05270	2.2
213.16704	0.5
215.10768	0.9
233.11603	0.5
235.61780	0.5
251.13042	0.5
259.10114	1.0
297.10101	0.5
316.09564	0.7
316.59885	0.8
325.60214	0.5
337.11264	0.5
367.18051	0.7
405.24417	1.5
406.62814	0.8
423.23550	100.0
424.24445	5.6
448.43103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84127	1.6
56.96568	81.1
57.31601	1.4
67.05486	4.5
67.30811	1.4
70.98122	25.2
71.30171	3.0
71.95276	7.3
72.84176	1.3
79.05500	2.9
81.07040	4.9
84.96018	5.7
88.99167	4.0
91.05495	2.3
93.07025	2.5
95.08623	1.8
96.67104	1.3
97.96790	3.6
98.91960	2.5
98.97591	71.8
105.07014	1.7
107.08556	1.9
109.10152	2.4
111.36267	1.3
115.00652	1.5
116.98617	25.8
117.07079	1.7
121.10141	2.2
127.00689	3.8
131.08575	2.0
134.99657	5.6
137.02774	1.7
139.00644	4.0
140.00177	6.3
141.02197	4.7
145.10106	2.9
151.00681	3.1
153.02240	5.7
155.00208	1.6
155.03810	6.0
157.10170	2.4
159.03246	3.9
167.03865	1.8
169.05391	2.6
171.03267	5.0
173.04938	7.1
181.05414	2.7
183.03307	2.7
185.01276	1.6
185.04892	3.1
187.06404	5.2
195.06998	3.4
197.04829	3.3
199.06517	3.6
201.04225	2.0
205.05476	2.6
207.07010	3.5
209.04883	1.6
209.08435	3.0
210.08031	1.6
211.06404	2.7
213.06076	1.7
213.08000	3.7
215.05936	1.9
219.03362	1.8
219.06935	3.9
221.08694	2.0
223.06540	4.1
225.07965	5.9
227.09526	3.1
231.06921	4.9
233.08469	3.6
236.47977	1.7
237.07913	7.6
239.05952	3.3
239.09557	3.8
241.07526	2.9
243.09100	1.7
249.08015	13.0
251.09564	36.2
253.07515	3.0
253.11128	3.3
255.09152	7.7
265.08041	2.2
265.11127	52.3
267.09048	26.2
269.10623	53.3
281.10599	13.7
283.12167	100.0
285.09995	9.4
287.11737	4.4
290.10693	2.2
292.12143	6.7
299.11694	30.9
301.13312	2.7
306.13727	13.3
311.11630	26.9
312.12531	2.4
317.12817	2.7
322.13113	3.4
325.13220	56.7
329.12683	3.0
331.15781	5.0
341.12692	17.7
343.14301	2.7
345.17316	3.8
349.17007	6.4
352.14044	2.0
353.77698	1.5
363.18393	19.1
366.15811	1.5
367.18015	2.2
381.19446	4.5
396.80551	1.5
405.19403	5.1
423.20554	60.3
423.26355	3.4
423.32574	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	423.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.05499	3.2
56.96301	1.8
56.96569	30.8
57.03431	1.1
58.13740	0.8
58.82209	0.8
59.12477	0.9
67.05504	9.0
69.07069	3.5
70.98123	6.3
71.56701	1.3
71.95261	4.0
72.96027	1.2
74.19931	1.0
79.05495	4.6
81.07073	8.9
83.08598	2.9
84.96050	1.3
86.09713	1.5
88.99179	1.4
91.05472	3.9
93.07055	6.1
95.04996	1.2
95.08598	5.7
97.10185	2.1
98.97588	29.6
105.07046	3.5
107.08614	4.8
109.06518	2.1
109.10160	5.9
110.97584	1.0
116.98630	13.7
117.07008	1.3
119.08582	3.9
121.10117	3.0
123.08099	2.2
127.00725	1.8
131.08649	1.3
133.10141	2.3
134.99614	4.9
135.08107	1.4
135.11668	1.0
136.99118	1.8
140.00212	2.5
140.01401	0.9
145.10107	1.8
147.11693	1.1
149.13292	1.5
151.00659	1.3
155.00145	3.5
159.11705	2.5
160.00499	1.6
167.03783	1.1
169.01741	2.2
171.03238	1.5
173.01280	2.0
173.04884	2.6
173.11838	1.1
173.13289	2.1
175.14799	1.0
179.14331	2.1
181.05429	1.2
183.06902	1.8
184.07387	1.1
185.04845	1.9
187.02788	1.6
187.06296	1.1
187.14806	1.1
195.06958	3.4
197.04860	1.3
199.06416	1.9
199.14749	1.0
200.03369	0.9
201.04372	1.1
201.07990	3.8
205.05391	1.5
207.06926	2.2
211.06482	2.6
213.07965	3.4
214.01579	1.4
217.07455	1.0
219.09023	1.2
221.08452	2.1
223.06396	5.9
225.07845	6.1
227.09523	1.4
228.03059	1.7
229.07506	4.1
237.04538	0.9
237.07904	1.4
239.05861	1.1
239.09566	7.9
241.07294	2.0
243.09041	11.2
247.08516	1.4
251.09685	2.6
253.07448	1.4
255.09091	1.6
257.10526	8.4
261.10193	2.5
265.07797	0.9
265.10983	1.2
269.10620	2.0
275.11795	2.2
280.12167	1.6
282.07330	1.2
283.12155	3.7
285.10153	1.0
293.10519	2.2
299.11871	1.7
303.12817	1.0
311.11798	1.6
313.14706	2.6
326.10406	4.4
329.14178	1.7
331.15781	7.9
331.26245	1.2
333.17273	2.3
345.17383	5.1
349.16797	4.7
361.16736	1.7
363.18439	29.8
381.19324	3.4
381.49747	1.0
386.19907	1.2
405.19489	100.0
423.20499	33.8
423.26282	1.5
423.31500	3.6
423.36343	2.0
446.22205	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	9.8
53.91981	9.8
54.47698	8.7
55.01883	14.8
55.05515	47.6
57.07074	23.9
60.89423	8.4
67.05509	69.2
69.07082	53.3
70.02332	39.2
71.08632	34.3
76.27833	8.0
79.05492	40.2
81.03426	14.6
81.07068	86.6
83.04968	24.2
83.08601	21.5
83.71781	9.7
85.06556	10.4
89.06071	9.9
89.13700	9.5
91.05471	46.6
93.07027	56.9
95.08609	71.7
97.06548	20.2
105.07012	70.7
107.08595	33.4
109.06522	10.5
109.10149	42.3
117.07021	27.1
119.08572	41.3
121.10151	26.5
122.72795	9.5
123.08052	32.5
129.06963	16.5
131.08546	30.8
133.10144	41.3
135.08115	11.8
135.11725	16.5
143.08530	18.3
145.10124	34.1
147.11696	27.4
149.02362	100.0
157.10139	20.0
159.11722	20.4
161.13281	18.2
171.11659	11.9
173.13251	11.6
183.11626	12.9
187.14795	10.3
261.18423	18.4
275.19968	15.4
355.26221	19.5
359.29730	11.8
369.27884	10.4
387.28632	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	423.1434
Annotation	(12aR,17bS,18aS)-17b-hydroxy-13,17b,18,18a-tetrahydro-11H-indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione
Peak:m/z	Relative Intensity
52.89086	1.2
56.96572	4.2
57.03418	2.4
57.10252	1.1
58.99585	6.0
60.04507	1.4
61.02924	2.7
67.05502	5.0
69.03436	5.1
69.07063	16.4
69.71673	6.9
70.90127	1.1
76.02235	3.5
81.03420	2.5
84.04500	1.8
84.08159	5.5
84.64323	1.2
84.96034	1.2
85.02903	12.3
87.04468	3.4
95.04976	3.3
96.04478	1.6
97.02912	5.0
98.20813	1.7
98.97589	14.3
99.02695	2.0
101.04246	51.3
104.07131	2.3
109.02889	2.1
110.38425	1.0
110.97626	3.2
112.07613	1.9
116.98638	4.0
126.05537	1.9
127.02146	5.9
127.03962	2.4
127.05807	2.8
128.02615	1.3
128.98616	3.1
129.03738	2.5
137.06050	1.3
138.05487	1.5
140.07057	10.3
143.00212	1.6
155.01709	1.9
158.08177	2.1
158.99722	5.4
159.03290	1.5
161.04819	1.2
170.06390	4.2
170.99699	1.4
172.04276	100.0
177.00774	2.3
182.08179	2.1
197.07536	2.1
198.05946	5.5
201.00694	1.4
206.38092	1.3
214.05362	11.1
215.08583	4.4
216.00938	1.4
219.01801	6.9
223.04947	1.8
237.02803	8.0
244.06342	7.2
261.09006	12.6
276.07755	1.7
280.15433	2.0
291.07352	1.5
294.26859	1.2
303.10336	1.3
305.08917	6.1
309.08710	3.0
319.06949	2.0
323.10095	6.7
334.09799	2.3
342.10355	1.4
345.12350	3.5
366.79645	1.3
377.13831	7.3
423.14444	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.6
55.05513	2.2
56.66926	0.4
57.03430	0.7
61.02929	0.8
65.40711	0.4
67.05493	1.0
69.03088	0.5
69.03434	7.1
69.07070	5.5
69.46478	3.3
71.04990	0.6
71.63989	0.4
73.02910	0.8
79.05480	1.3
81.03399	3.3
81.07057	1.3
83.04967	0.6
83.08613	1.6
85.02904	5.1
87.00836	2.6
91.05486	4.6
93.07031	1.8
95.04958	0.5
95.08607	2.2
97.02895	3.2
97.06515	0.5
99.04408	0.9
101.72417	0.5
105.01867	0.8
105.07030	9.7
107.08585	3.4
109.02876	1.9
109.06477	0.6
109.10150	0.8
115.03928	0.7
117.01917	0.5
117.07024	2.1
119.08582	53.2
121.10152	2.7
123.04396	0.5
125.05934	0.4
127.03916	4.2
131.08546	3.6
133.10133	50.1
134.10910	4.8
135.11731	0.7
137.06018	0.4
143.08563	1.2
145.10112	6.5
147.02843	0.4
147.11691	15.2
155.08591	0.7
157.10057	1.0
158.10939	0.9
159.02898	1.3
159.11679	2.0
160.12471	2.3
161.13226	1.1
171.11685	1.2
173.13260	6.6
175.14825	100.0
176.15160	0.8
177.16377	1.0
182.64471	0.4
185.09573	0.5
185.13277	1.4
187.14864	2.3
189.16310	0.6
197.13409	0.5
199.14845	0.9
201.03990	1.5
203.10712	0.5
203.14265	0.6
205.15851	0.8
211.14842	0.7
215.14368	0.5
217.15965	1.0
227.10823	0.5
227.95021	0.4
229.15942	1.1
231.04959	3.6
241.15947	0.7
255.17334	0.7
265.15912	0.7
283.16959	1.7
301.18204	2.4
317.26233	0.4
319.18945	0.8
360.19424	0.5
361.19937	0.6
369.20200	0.6
385.27985	0.5
387.17950	1.7
405.19174	3.3
423.20163	6.8
423.25317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.0
55.05508	5.3
57.07056	9.0
67.05502	14.7
69.07069	21.6
71.04996	4.0
71.08640	15.1
71.57334	4.1
79.05487	7.3
81.07054	15.0
83.08621	6.5
87.78298	2.0
89.06013	3.7
91.05470	8.2
91.16253	1.9
93.07039	10.1
95.04907	2.9
95.08612	10.5
97.06509	7.0
105.07011	9.8
107.08577	6.5
109.10156	42.7
113.00050	2.9
113.13243	3.0
117.06980	2.9
119.08570	9.5
121.10144	6.1
123.08048	3.0
124.12082	2.1
127.11191	100.0
129.07027	2.9
131.08545	4.9
133.10126	3.7
135.11653	6.8
145.10109	5.2
147.11642	4.7
149.02335	48.1
149.04202	2.3
159.11638	3.0
163.11232	3.3
169.02716	2.8
175.14844	2.5
212.90984	2.4
261.18509	3.4
275.20126	7.7
289.21716	3.1
307.22543	4.5
355.25986	3.2
374.00534	2.9
390.25897	2.4
422.35043	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	422.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	9.9
55.05505	29.8
57.03409	12.4
57.07072	20.2
67.05492	54.6
69.07073	82.0
71.08614	23.8
71.57763	10.7
79.05484	34.2
81.07072	55.7
83.08588	22.7
89.06012	38.9
91.05494	50.8
93.07046	44.7
95.08611	66.2
97.06519	37.0
97.10157	13.7
105.07006	46.1
107.08572	41.9
109.10154	83.9
113.13195	11.4
117.07052	17.4
117.83202	10.8
119.08603	47.7
121.10120	32.1
127.11200	100.0
131.08531	27.3
133.08582	20.6
133.10127	38.6
135.11682	21.1
143.08482	13.1
145.10104	25.4
147.11670	35.4
149.02361	86.4
157.10063	15.4
159.11685	18.9
161.13254	11.5
169.67561	11.9
173.13260	11.4
175.11118	11.0
191.95363	10.7
197.13219	11.9
203.12756	12.9
221.71431	12.3
232.29050	10.1
235.52339	10.3
257.18976	11.5
275.20013	51.6
289.21454	21.9
307.22458	15.8
335.02173	9.3
349.06256	11.1
355.26654	16.6
387.28821	13.8
422.34598	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	422.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	6.1
55.01870	6.0
55.05509	15.1
56.96552	7.2
57.03432	12.3
59.05009	7.7
61.02919	8.5
62.06096	6.7
67.05497	27.0
67.14030	4.4
67.14388	5.4
69.03423	33.7
69.07060	30.6
70.06595	19.3
71.04984	17.5
71.56428	4.8
72.08150	10.0
72.93780	7.3
79.05502	15.6
81.03411	13.8
81.07070	42.6
83.04990	9.9
84.04522	11.2
84.08167	7.7
84.96015	5.7
85.02898	64.6
85.06546	6.2
86.09717	5.7
87.04486	9.3
91.05485	25.5
92.41328	5.8
93.07031	33.3
95.04967	13.2
95.08614	66.6
97.02917	25.2
97.06533	21.8
98.97594	27.3
99.04440	29.3
99.08107	5.8
102.12827	17.7
105.03432	5.4
105.07038	40.4
107.08617	37.5
109.02854	13.0
109.06522	20.5
109.10179	37.3
111.08073	6.4
113.06025	13.6
115.03944	6.2
116.98600	5.9
117.06985	10.0
119.04950	12.2
119.08603	38.7
120.08125	6.7
121.06477	9.6
121.10142	80.7
123.08073	57.8
123.11749	15.0
127.03930	17.2
127.07603	10.3
128.98631	4.7
129.07043	7.8
131.08620	8.3
132.95891	5.8
133.06493	5.3
133.10132	21.3
135.08028	13.2
135.11700	17.2
137.05972	12.9
137.09613	34.0
137.13289	10.6
139.11127	5.4
141.09106	7.8
143.00148	5.5
145.04974	13.9
145.10129	17.5
146.99675	7.2
147.04416	24.6
147.08022	13.6
147.11703	34.6
149.09599	38.3
151.07561	10.4
151.11165	17.9
156.08066	8.9
156.09297	8.9
158.97415	7.8
158.99666	8.3
159.11699	8.6
161.01265	5.6
161.13252	48.1
163.11227	22.7
164.07095	8.4
165.12720	25.6
168.20505	5.1
170.07181	8.8
171.11671	7.1
174.09149	12.4
177.12788	17.8
179.14330	20.5
181.12239	14.2
183.13837	6.4
189.12744	43.7
195.13803	24.2
207.13799	89.7
216.97867	7.0
219.01814	9.5
220.02832	6.2
225.14879	100.0
234.04369	7.2
234.98982	11.2
237.02861	8.0
237.56812	8.9
241.07312	9.3
241.09773	10.8
242.07555	16.0
243.15875	31.8
252.05461	6.3
255.11365	10.8
259.10739	8.0
260.09164	29.9
260.12836	10.1
278.99722	5.5
283.10861	6.7
301.11835	32.9
360.09668	6.0
363.01627	8.7
381.02768	14.9
404.12930	9.9
407.12119	5.6
422.07956	6.9
422.13843	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	422.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.9
55.01867	1.8
55.05504	4.3
56.96560	3.9
57.03416	2.3
57.07087	2.0
61.02920	3.0
65.91955	2.4
67.05495	6.5
67.55047	1.7
69.03429	8.7
69.07062	5.8
69.96352	7.2
70.06596	3.8
73.02932	1.9
79.05480	6.9
81.03423	26.2
81.07050	11.8
83.04967	5.6
83.08631	4.2
84.04517	1.9
84.08142	2.1
85.02905	18.0
85.06560	2.5
87.04459	2.5
91.05485	13.6
93.07043	19.5
95.04974	21.9
95.08611	17.7
97.02892	6.1
97.06524	3.7
98.97581	4.4
99.04453	2.9
105.07032	20.0
107.08604	18.6
109.02856	2.0
109.06527	4.8
109.10152	10.1
111.08065	4.3
111.47639	1.6
113.05988	4.6
116.98576	2.4
117.07024	8.2
119.08586	21.9
121.06511	6.8
121.10140	16.3
123.08051	5.7
123.11707	2.0
125.06002	2.4
125.09650	3.4
127.03947	2.6
129.06989	2.9
131.08569	18.3
133.10120	9.8
135.11653	5.3
137.05984	2.6
137.09625	15.4
143.08530	2.6
145.04968	3.3
145.10136	4.5
147.04359	3.2
147.08022	2.2
147.11696	23.5
149.09625	14.7
151.07564	8.0
153.05502	2.3
155.10666	6.3
156.08078	4.5
156.09271	2.9
157.07635	4.0
158.99637	2.1
159.11700	13.5
161.13269	13.1
163.11105	2.7
165.12720	21.2
169.08627	4.0
171.10341	2.0
171.11644	7.9
177.12738	14.0
179.14354	2.9
189.12769	17.5
195.13843	9.2
207.04721	1.9
207.13803	100.0
217.07373	1.6
219.01883	2.3
225.11366	2.2
225.14851	33.6
237.02765	2.5
238.23262	1.9
241.09645	2.5
242.09375	8.5
243.15894	11.7
255.11337	2.6
301.11795	7.5
422.17715	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	421.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.05517	19.5
55.41998	3.3
57.07074	5.9
59.04997	3.2
67.05508	48.8
69.03443	4.1
69.07074	26.1
69.16668	3.4
71.04977	3.4
71.42249	4.7
77.09821	3.1
79.05500	38.8
79.72117	3.1
81.03430	4.7
81.07064	52.5
83.05011	4.9
83.08622	8.8
85.06555	4.8
86.09705	4.4
91.05481	65.4
93.07046	40.0
95.04965	9.1
95.08613	35.9
96.92254	4.7
97.06558	7.1
97.10173	4.7
97.69771	2.7
105.07030	71.3
105.07684	5.2
107.08573	20.2
109.06509	6.6
109.10158	12.5
115.05494	6.2
117.07024	25.4
119.08593	52.9
121.10143	11.5
123.08057	5.5
124.99995	5.0
129.07010	18.2
131.08571	50.4
133.10141	28.5
135.08041	8.4
135.11656	6.1
137.05994	3.8
137.09596	4.2
141.06978	6.4
143.08563	22.1
145.06517	5.5
145.10123	34.9
147.08037	6.3
147.11687	9.2
149.09526	3.8
155.08562	8.9
157.10185	15.0
159.08029	3.7
159.11705	14.5
161.13258	4.0
165.01736	3.4
167.08646	3.4
169.10153	10.1
171.11700	10.9
173.13300	6.4
178.37686	3.0
181.10112	8.5
183.11736	8.2
184.07330	14.9
185.13298	7.4
187.11182	4.1
187.14789	4.8
195.11713	5.7
197.13264	8.0
201.12932	3.2
209.13217	3.9
211.14844	9.9
215.14337	6.2
229.15944	3.4
241.16145	4.4
247.16905	6.0
259.16962	4.1
261.18506	3.6
263.20175	6.2
273.18402	5.2
325.25208	7.4
331.22681	4.4
335.23730	10.7
341.26578	7.3
343.26306	7.5
353.24771	39.4
367.26404	4.2
371.25787	36.3
385.27258	17.8
389.26865	13.2
403.28433	100.0
421.34940	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	422.138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52500	0.9
53.03934	1.9
55.05513	2.5
56.96560	1.9
58.99590	7.1
61.01156	1.4
61.02932	1.5
67.05493	2.9
69.03429	5.1
69.07063	2.4
69.93718	4.2
70.06577	4.9
70.55538	1.0
71.04990	1.3
72.08122	1.4
73.02916	1.5
74.30242	0.9
76.02232	10.7
79.05479	2.7
81.07040	3.4
82.06593	1.1
83.04968	2.6
83.08640	1.3
84.04484	3.2
84.08152	2.4
85.02906	9.1
85.06536	1.3
86.09690	4.5
86.99061	2.5
87.04457	1.3
91.05474	3.1
93.07027	6.0
94.06566	1.7
95.04977	2.5
95.08618	5.2
96.82113	1.0
97.02883	4.3
97.06548	2.7
98.13770	1.2
98.97572	3.3
99.04454	3.9
100.02199	7.5
102.03783	1.8
102.12846	1.2
105.00070	2.4
105.07025	5.0
107.08594	6.5
109.02910	1.7
109.06520	5.0
109.10160	4.7
110.97556	1.2
111.08012	1.1
113.05965	1.3
116.98659	2.1
119.04927	1.6
119.08560	6.0
121.06528	1.4
121.10129	7.0
122.06024	3.5
123.08100	3.1
123.11725	1.2
124.07579	1.2
127.03903	2.7
129.10185	1.1
133.10136	3.8
135.11671	3.6
136.07579	1.8
137.05960	3.0
137.07031	1.6
137.09615	4.4
142.03247	1.6
145.10149	2.6
146.02724	6.6
147.04440	3.9
147.07956	1.2
147.11719	5.3
149.09581	2.9
151.07507	1.2
156.08081	4.5
159.11690	1.8
161.13300	5.3
162.05553	1.3
162.49173	1.0
163.11136	2.4
164.07043	2.2
165.09091	1.7
165.12749	1.4
167.10675	1.7
168.08102	1.6
168.34164	1.2
170.09665	1.1
171.11708	1.3
172.07574	4.0
173.35086	1.3
174.09164	2.3
175.08693	4.7
177.00737	1.5
177.12666	1.6
179.14313	1.2
183.06668	1.4
186.09178	2.7
187.12360	2.6
188.03812	3.7
189.10226	3.3
189.12715	6.5
195.13849	3.1
196.07585	4.2
197.08151	2.2
197.47630	1.0
198.07626	1.0
198.09283	8.5
199.08673	2.3
200.07124	2.1
200.09218	1.4
201.06459	1.1
207.13794	12.1
210.09259	1.6
212.09326	2.9
213.10260	14.7
214.08652	3.2
214.10738	1.6
215.08324	1.2
215.11818	6.6
217.09747	3.8
219.01727	1.6
225.07268	1.2
225.14867	11.0
226.07137	2.3
227.08057	2.3
227.11800	4.1
228.04762	1.3
231.11255	1.9
235.10820	9.2
237.02827	1.5
239.08153	2.2
240.08910	6.6
241.09729	46.8
242.07990	1.2
242.10378	1.7
243.11385	25.2
243.15800	2.9
254.06406	3.1
254.10559	2.7
255.11316	7.0
256.10806	1.4
257.12802	2.1
258.12421	16.3
259.10797	38.4
259.13525	1.9
260.09048	1.4
268.08289	1.3
271.08893	1.9
271.13211	2.2
273.06857	1.4
273.12259	2.6
275.08444	1.3
277.11926	3.0
282.09921	1.4
283.10788	12.1
284.14029	1.8
285.12329	17.7
286.09528	4.2
286.59625	1.2
299.08505	5.2
300.11008	2.6
301.11832	48.0
303.13461	5.9
316.11215	1.3
317.13708	27.5
318.12610	7.8
319.12827	7.1
344.15973	1.2
360.13849	4.6
362.11624	10.4
378.15164	1.9
381.02478	2.0
404.12750	27.8
422.13812	100.0
423.13986	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62747	1.4
54.62898	1.2
55.05500	3.1
56.96566	56.2
60.08156	1.5
61.46856	1.1
65.17975	1.3
67.05504	5.6
69.07075	1.6
70.22723	2.3
70.23117	2.9
70.98131	11.0
71.95258	3.6
79.05492	3.3
81.07050	3.7
84.96040	1.5
86.09702	6.1
88.99174	2.2
91.05484	3.6
92.10435	1.2
93.07047	2.2
95.08616	1.8
98.21436	1.7
98.96950	3.3
98.97589	55.6
105.00157	3.6
105.07073	1.6
107.04983	1.7
107.08622	3.2
109.06516	3.3
109.10159	1.5
110.97578	1.2
115.00652	2.4
116.98622	26.4
119.08591	2.1
123.01215	3.3
125.00057	2.2
127.00696	2.5
129.02284	3.1
129.06973	1.2
130.13875	1.2
133.10143	2.4
134.99657	7.1
135.08051	2.1
137.06001	1.5
139.00650	2.6
140.00180	4.3
141.02235	4.3
147.03230	1.6
151.00658	3.1
153.02293	2.2
155.00172	2.1
155.03764	4.8
157.01746	3.1
159.03305	3.4
163.00749	1.1
165.02248	1.5
167.03784	2.4
169.01772	7.0
171.03304	4.7
173.04866	4.9
175.00760	1.2
179.03778	2.9
183.03270	4.0
184.00421	5.1
184.07344	13.7
185.04916	2.5
187.02800	2.9
191.03868	1.9
193.05431	1.8
195.03450	1.6
197.04848	3.0
199.06454	2.4
202.01576	2.9
207.06918	2.8
209.05048	2.7
211.06493	2.2
217.05424	1.9
219.07095	1.3
221.08333	1.4
223.06400	1.4
225.08057	1.3
231.07130	2.4
233.08553	2.5
235.06407	1.3
235.10121	3.3
237.04498	1.5
237.08012	2.6
237.11497	1.6
247.06363	1.3
247.10088	4.1
249.08102	2.8
251.05862	2.3
251.09621	5.4
253.11172	5.3
259.10028	3.1
261.07925	1.9
261.11661	2.0
263.09460	1.4
265.11206	4.0
267.12735	2.3
271.10132	4.1
273.11746	3.4
275.09644	1.6
277.11179	2.8
281.10355	1.9
287.13272	2.8
289.11102	11.1
291.09616	2.0
291.12503	7.2
293.10703	3.4
295.12238	5.0
299.12906	1.7
303.09125	1.7
303.12704	1.9
305.10736	2.2
305.14111	3.1
307.12201	14.9
307.18997	2.0
309.13596	2.7
311.13156	2.9
313.13345	1.5
315.12860	1.5
317.14404	2.1
321.10422	1.7
321.13754	7.7
325.13449	2.3
329.14267	11.0
331.15805	4.8
333.13608	2.4
339.14789	1.4
343.15988	6.3
347.15286	13.2
349.17010	2.1
361.16824	43.8
362.16968	1.6
365.16507	3.1
370.16888	2.9
379.17935	69.6
380.18185	1.6
402.19513	5.6
403.17941	100.0
421.19028	55.1
421.24899	2.7
439.20145	2.5
444.20901	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	421.168
Annotation	Pomiferin
Peak:m/z	Relative Intensity
56.96560	1.2
60.05220	0.5
66.56401	0.5
69.03428	1.0
70.06597	1.7
71.55791	0.7
72.08166	0.8
81.03415	0.6
81.07041	1.0
85.02901	1.8
97.02903	1.3
97.31247	0.6
98.97610	2.9
101.00828	0.7
108.20879	0.6
110.97575	0.7
113.47153	0.5
116.98617	0.7
119.01949	0.8
128.98676	0.7
145.03450	0.6
161.02966	1.2
173.04796	0.5
179.03354	0.8
199.08044	0.8
203.04103	0.6
213.12494	0.6
219.01796	1.0
219.07024	1.1
221.05057	0.7
237.02939	0.8
259.06277	1.0
259.10712	0.7
289.12479	0.7
307.12592	0.7
313.87094	0.6
361.06024	1.6
421.16818	100.0
422.17239	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.3
53.03947	1.3
54.99098	0.2
55.01876	0.7
55.05508	2.3
57.03433	0.4
57.07076	0.6
58.84798	0.3
61.02943	0.3
65.03933	0.6
67.05511	3.3
68.99789	0.5
69.03431	5.3
69.07074	2.1
70.02242	0.9
70.06585	0.3
71.04994	0.6
73.44399	0.3
79.05494	5.5
81.03419	2.9
81.07055	5.9
83.04981	2.1
83.08646	0.5
85.02909	1.2
85.06533	0.4
87.00835	2.0
91.05486	5.7
93.07043	4.2
95.04975	1.4
95.08605	2.1
97.02895	2.9
97.06539	0.7
98.97581	0.5
99.04454	0.8
103.03890	0.3
103.05479	0.5
105.01897	0.6
105.04519	0.3
105.07033	7.8
107.04958	4.6
107.08598	19.4
109.02879	3.8
109.06525	2.3
109.09463	0.5
109.10168	6.3
111.04445	0.3
111.08055	0.5
115.05444	1.6
116.06218	0.3
117.07041	1.7
118.07791	0.4
119.06071	0.5
119.08578	3.9
120.08148	0.3
121.06509	2.5
121.10146	10.6
122.07293	5.9
123.08069	1.1
127.03922	10.6
129.07016	0.5
131.08565	3.5
133.10132	100.0
134.10487	1.1
135.08058	7.3
135.11705	1.2
137.06001	0.8
137.09618	58.5
138.10008	0.4
143.08574	1.0
145.04988	0.9
145.10109	1.7
147.11687	2.3
149.09625	2.3
149.13260	8.0
155.14365	0.3
158.10948	1.9
159.11642	0.4
163.14790	1.9
171.08095	0.3
173.09703	0.4
173.13263	6.2
185.13271	0.4
189.12865	0.3
191.14307	47.7
192.14557	0.4
213.03987	3.7
213.12563	0.3
231.04985	1.8
317.17352	0.8
335.18506	0.6
368.27951	0.3
403.17416	1.1
421.18286	1.2
447.51886	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	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01870	0.6
55.05521	0.7
56.96578	0.5
57.03428	1.3
57.07070	1.6
58.23666	0.3
61.02905	0.6
65.03952	0.5
66.04681	0.3
67.05501	4.0
69.03430	3.2
69.07071	3.3
71.56907	0.3
73.02916	0.8
79.05498	7.1
81.03436	2.3
81.07056	100.0
82.07386	0.4
85.02902	7.4
87.00837	3.3
91.05478	0.5
93.07045	1.4
95.04983	0.6
95.08607	18.0
97.02887	5.5
97.06538	0.5
98.97578	0.4
99.04459	1.4
105.01867	6.9
105.07037	0.6
107.08570	0.5
109.02882	1.7
109.10159	0.9
111.31818	0.3
112.02894	0.4
119.08609	0.8
119.76303	0.4
121.47314	0.4
127.03911	7.3
129.01855	0.5
137.13254	25.8
145.04970	5.7
159.02911	1.6
159.11673	0.5
197.36572	0.4
231.04979	3.1
232.74112	0.3
248.07793	0.5
249.06071	1.8
284.09872	1.1
420.23608	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
57.03437	20.8
59.04994	4.3
60.04527	2.9
61.02924	2.1
69.03432	75.1
69.54470	8.9
69.54874	2.9
71.01384	1.8
73.02911	1.7
79.05501	1.8
81.03430	2.8
83.04985	1.4
83.27469	1.4
85.02910	50.1
87.04472	51.2
91.05486	74.9
91.31137	1.5
92.52047	1.3
97.02898	60.8
98.20770	2.9
99.04441	3.3
105.07016	3.7
107.04996	8.1
109.06503	1.5
115.03933	86.4
117.05486	2.4
117.07006	1.4
127.03957	6.9
129.06992	2.0
133.04968	100.0
133.06569	3.4
145.04941	11.3
145.06540	1.5
150.07626	14.2
151.85716	1.5
161.04482	4.1
163.06053	2.7
169.04929	1.9
175.07489	2.0
180.08696	2.2
205.08633	3.0
223.09654	14.0
235.09621	2.0
241.07047	2.0
253.10783	2.9
259.08176	5.8
277.09137	3.7
295.10291	3.4
376.16736	1.8
420.15500	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.1
55.01861	6.2
55.05266	3.6
55.05511	51.9
57.03433	3.3
65.03931	5.6
67.05502	71.2
69.03429	3.4
69.07066	42.4
70.38717	7.1
71.04978	6.6
73.06541	3.7
77.03905	2.6
79.05490	67.0
81.03404	3.7
81.07059	86.8
83.04962	7.8
83.08140	3.8
83.08618	42.1
85.06522	6.2
91.05482	86.2
93.07046	69.9
95.04958	11.5
95.08053	4.2
95.08605	53.8
97.06533	14.8
97.10168	11.5
99.08096	4.9
103.05451	2.8
105.07031	72.6
107.04940	9.0
107.08595	32.0
109.06503	8.5
109.10151	14.0
111.08069	9.1
115.05434	9.2
117.07014	54.2
119.08579	37.8
121.06489	9.2
121.10136	29.4
123.08054	9.9
123.11716	3.1
125.09629	5.0
128.06248	11.6
129.07001	66.7
130.07738	4.2
131.08571	100.0
133.06462	10.3
133.10153	21.4
135.08037	9.8
135.11681	13.5
137.09625	5.2
139.07524	5.4
139.11140	11.2
141.06996	19.1
141.09149	3.5
142.07744	3.9
143.08554	63.7
145.06483	15.0
145.10112	34.9
147.08025	10.5
147.11708	12.3
149.09587	13.0
149.13249	3.2
153.06961	7.2
154.07767	4.8
155.08556	37.7
156.09363	3.4
157.06525	3.0
157.10107	29.9
159.08025	5.7
159.10326	3.9
159.11684	20.9
161.09575	6.5
161.13264	2.7
163.11176	4.8
163.27661	2.3
165.06920	5.7
167.08588	16.1
168.09323	2.7
169.10114	21.5
171.08025	4.7
171.11679	17.0
173.09593	5.1
173.11829	2.6
173.13278	6.5
175.09656	5.1
175.11078	4.9
177.12686	6.2
179.08534	5.6
181.10124	16.0
181.11530	2.6
182.10922	2.7
183.08104	3.2
183.11710	17.9
185.09610	2.9
185.13257	16.1
187.11208	4.9
187.14845	2.7
189.12694	3.3
193.10092	8.5
195.11711	19.1
195.13329	3.1
197.11646	2.3
197.13257	9.2
199.11217	3.7
199.14716	7.3
201.12788	5.6
205.10217	3.3
205.12152	5.1
207.11690	11.0
207.13747	3.5
209.13260	18.3
211.14818	10.2
213.12733	9.3
213.16275	6.7
215.14342	4.2
217.14198	3.6
221.13313	21.8
221.15353	4.5
223.14841	20.7
225.12744	3.9
225.16396	5.0
227.14275	5.1
231.13759	3.6
233.13354	3.1
233.15334	17.5
235.14894	12.2
237.16368	4.8
239.14241	9.5
241.15762	6.6
243.13817	3.0
245.15350	4.8
247.16975	5.0
249.16283	3.7
249.18550	3.2
253.15878	9.1
257.15329	10.2
259.16904	5.4
261.18484	3.1
271.16876	6.6
285.18430	5.9
315.20926	4.9
323.23462	11.3
333.22165	25.2
341.24811	12.3
351.23160	61.6
351.27145	4.4
355.26187	3.7
365.24710	4.0
369.24274	36.5
373.27261	4.6
383.25827	6.0
387.25171	23.4
391.28333	2.9
401.26801	37.3
419.28036	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	419.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.6
55.01865	4.2
55.05503	12.6
56.96581	4.5
57.03430	6.1
57.07069	5.3
67.05489	14.2
69.03426	22.5
69.07066	14.6
69.61529	7.8
69.61925	15.4
71.05022	17.2
71.08626	12.4
79.05498	26.2
81.03419	15.4
81.07061	79.6
81.07531	3.0
83.08619	11.9
85.02921	19.1
85.06541	3.9
91.05466	11.6
93.07040	37.9
95.04964	3.7
95.08617	32.6
97.02879	11.0
97.06527	12.4
97.10168	6.2
98.21455	6.5
98.97607	4.9
99.08096	17.6
99.93401	2.9
105.07027	26.5
107.05000	3.1
107.08601	53.7
109.02869	25.3
109.10149	39.6
117.07060	3.2
119.08585	32.0
121.10106	11.6
123.08050	5.6
123.11723	22.1
125.09682	8.2
127.03918	18.8
127.11200	36.2
131.08603	4.8
133.10138	43.5
135.11702	100.0
137.05916	4.2
137.09592	5.0
137.13283	5.7
143.10675	27.8
145.10083	4.8
145.12218	7.3
147.11716	21.8
149.13269	3.7
151.11206	3.6
153.12704	6.1
161.13286	16.8
163.14888	4.2
167.07066	3.9
181.04947	9.1
203.18001	62.1
218.62036	3.6
221.19005	71.0
231.05124	3.5
239.20065	9.6
252.09258	7.2
253.14311	3.5
257.21078	8.8
419.20984	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	419.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.6
55.01865	4.2
55.05503	12.6
56.96581	4.5
57.03430	6.1
57.07069	5.3
67.05489	14.2
69.03426	22.5
69.07066	14.6
69.61529	7.8
69.61925	15.4
71.05022	17.2
71.08626	12.4
79.05498	26.2
81.03419	15.4
81.07061	79.6
81.07531	3.0
83.08619	11.9
85.02921	19.1
85.06541	3.9
91.05466	11.6
93.07040	37.9
95.04964	3.7
95.08617	32.6
97.02879	11.0
97.06527	12.4
97.10168	6.2
98.21455	6.5
98.97607	4.9
99.08096	17.6
99.93401	2.9
105.07027	26.5
107.05000	3.1
107.08601	53.7
109.02869	25.3
109.10149	39.6
117.07060	3.2
119.08585	32.0
121.10106	11.6
123.08050	5.6
123.11723	22.1
125.09682	8.2
127.03918	18.8
127.11200	36.2
131.08603	4.8
133.10138	43.5
135.11702	100.0
137.05916	4.2
137.09592	5.0
137.13283	5.7
143.10675	27.8
145.10083	4.8
145.12218	7.3
147.11716	21.8
149.13269	3.7
151.11206	3.6
153.12704	6.1
161.13286	16.8
163.14888	4.2
167.07066	3.9
181.04947	9.1
203.18001	62.1
218.62036	3.6
221.19005	71.0
231.05124	3.5
239.20065	9.6
252.09258	7.2
253.14311	3.5
257.21078	8.8
419.20984	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	419.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.6
55.01857	10.8
55.05513	51.3
56.12574	2.7
56.96539	3.7
57.03424	6.5
65.03939	4.0
67.05502	85.4
69.03432	5.9
69.07066	37.4
69.41849	7.2
69.42262	12.6
71.04994	6.8
79.05490	78.3
79.14902	2.6
81.03427	6.3
81.07056	88.9
83.04974	9.7
83.08617	26.4
85.06525	10.8
91.05481	100.0
93.07043	67.0
95.04975	21.5
95.08604	50.3
97.06537	14.7
97.10149	12.5
98.21603	3.2
99.08078	3.2
99.90083	2.5
103.05435	4.6
105.07027	79.1
105.37827	3.0
107.04960	24.0
107.08585	32.4
109.06506	10.6
109.10155	17.9
111.08077	11.7
115.05454	8.6
116.06242	5.4
117.06224	4.6
117.07021	77.4
119.08590	45.8
121.06487	20.7
121.10143	25.6
123.08046	6.5
123.11663	3.4
125.09589	7.7
128.06178	13.0
129.07007	72.7
131.08566	96.8
133.06464	13.3
133.10138	26.7
135.08083	14.1
135.11681	11.8
137.09619	5.9
139.11179	3.1
141.07005	24.7
142.07767	8.7
143.08554	61.7
145.06485	15.5
145.10127	36.5
147.08052	14.9
147.11676	11.7
149.09599	9.3
149.13252	4.7
151.11145	4.2
153.06989	3.6
155.08556	40.3
156.09380	3.5
157.06525	3.6
157.08769	4.5
157.10103	31.1
157.42635	2.9
159.08058	9.3
159.10362	3.3
159.11685	19.3
161.09576	6.9
161.13217	3.8
163.11143	8.0
165.06960	4.4
166.07683	3.3
167.08565	12.9
168.09346	4.0
169.10153	21.8
171.08061	4.8
171.11682	25.3
173.09648	5.5
173.13229	6.5
175.11168	7.7
177.12732	7.7
179.08580	6.5
181.10085	15.9
183.11661	12.6
185.09592	6.0
185.13248	9.7
187.11165	5.0
189.12764	3.4
193.10106	7.0
193.12160	3.4
195.11690	18.3
197.13255	12.1
199.14790	9.6
201.12808	5.6
203.12593	4.8
207.11716	8.9
207.13683	3.8
209.13246	11.6
211.11180	3.7
213.12773	10.0
213.16461	4.8
215.14339	6.4
217.15833	5.0
219.13988	3.9
221.13269	14.6
223.14830	13.9
227.14282	5.9
229.15868	3.6
231.13823	6.0
233.15494	6.7
235.14835	5.5
239.14293	7.7
241.15892	7.2
243.13960	3.6
245.15479	6.2
247.16966	8.8
253.15863	5.4
255.17404	3.0
257.15356	8.4
259.16849	6.1
263.16397	4.3
271.14429	2.9
271.16830	13.9
273.18494	4.3
285.18497	4.8
323.23642	10.3
333.22119	19.5
341.24817	15.6
351.23163	54.3
355.26318	3.1
369.24252	92.9
373.27325	6.2
381.78351	2.8
383.25705	11.4
387.25314	34.0
401.22031	6.0
401.26886	84.9
419.22650	4.2
419.27972	60.5
431.27866	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.9
55.01870	11.3
55.05504	7.3
57.03424	8.2
57.06826	2.4
57.07073	21.5
59.05005	10.4
61.02905	5.8
67.05508	12.8
68.99776	3.8
69.03425	36.9
69.07075	12.0
71.04980	8.0
73.02915	10.8
79.05493	4.4
81.03418	40.1
81.07037	7.3
83.04964	2.0
83.08620	3.9
85.02904	68.9
85.06553	10.8
87.00834	25.9
91.03960	4.4
91.05492	4.0
93.07034	7.8
95.04998	2.7
95.08609	68.3
97.02886	24.7
97.06542	9.0
98.20723	4.4
99.04449	17.1
99.08106	15.1
99.34064	1.8
105.01871	18.9
107.08598	9.2
108.85378	1.7
109.02876	34.8
109.06526	10.3
109.10146	15.5
111.08062	8.2
111.11719	5.1
113.09650	65.1
115.03942	3.9
117.01833	5.1
119.08570	2.6
127.03912	57.0
127.11195	8.2
129.01823	3.0
133.10110	2.1
135.11708	13.1
137.13229	9.5
145.04962	21.0
147.02936	4.7
147.04301	2.0
153.12741	100.0
155.14305	30.6
156.66112	1.9
159.02901	21.5
171.13800	21.6
213.14854	3.5
219.05093	2.5
231.04988	12.7
241.07530	4.2
257.17487	2.2
299.09933	2.6
362.75336	2.1
384.18011	2.7
402.19153	2.7
405.19647	1.8
419.18671	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	419.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.6
55.01862	10.1
55.05507	7.0
56.96577	2.8
57.03436	10.8
59.05004	4.6
61.02922	5.7
65.03925	3.4
67.05508	16.4
68.99777	3.2
69.03437	26.0
69.07061	9.0
69.63040	12.2
70.06579	2.6
71.04983	9.7
73.02921	11.9
73.84123	2.3
79.05485	10.9
79.75636	2.1
81.03420	32.2
81.07063	25.1
83.04995	3.1
83.08615	5.7
85.02908	72.7
85.06524	3.5
85.43313	2.2
86.09712	2.9
87.00828	32.7
87.04481	3.0
91.03957	3.2
91.05470	11.6
93.07053	57.5
95.04967	3.4
95.08609	33.6
97.02897	38.7
97.06535	30.3
98.97578	8.4
99.04465	17.2
99.08062	3.2
100.02200	4.3
105.01866	18.8
105.07030	9.7
107.04948	4.1
107.08602	72.0
109.02892	25.2
109.06510	3.2
109.10160	38.1
111.08084	4.8
113.09660	3.0
116.98573	2.7
117.01859	6.6
119.04934	3.0
119.08580	5.4
121.10132	5.5
123.11697	21.0
127.03918	48.3
129.01875	3.4
131.04958	2.6
133.10124	4.1
135.11696	100.0
137.05954	7.7
137.13326	3.4
140.57407	2.3
141.12779	4.9
145.04973	28.0
147.02925	4.1
147.08049	2.8
147.11772	2.4
153.12766	55.1
158.99763	2.6
159.02902	14.1
163.03842	2.3
163.11258	3.5
165.74745	2.1
167.06897	3.1
171.13815	86.8
178.04997	2.2
181.04994	6.3
198.65102	2.6
213.03903	4.2
231.04993	7.2
257.17453	10.2
265.07159	3.3
266.13879	3.8
351.65891	2.4
402.19135	6.2
419.21701	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	418.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.1
57.88520	0.4
66.98217	0.4
69.03409	0.8
69.07042	0.3
70.25337	1.7
71.21326	0.4
72.08115	0.5
73.06536	1.1
73.09196	0.4
75.37934	0.4
75.64195	0.4
79.05476	0.8
85.02905	0.9
86.09714	0.6
91.05451	0.6
93.07034	1.4
97.02837	0.7
98.06026	0.5
98.97574	3.8
103.05463	5.7
107.04955	1.5
108.08088	0.7
110.97619	1.0
116.98617	1.4
120.08107	100.0
128.98611	0.7
131.04944	2.8
136.06177	0.5
140.07103	1.0
142.15434	0.5
149.05980	1.5
158.99686	1.6
161.01259	0.4
166.08643	51.1
177.00690	0.9
205.84183	0.4
212.06049	0.4
219.01822	2.0
237.02901	2.1
238.76826	0.5
256.04932	0.7
279.03857	0.5
287.71567	0.5
298.06006	0.8
358.08035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52600	0.5
57.03438	0.7
67.01617	0.6
69.03427	1.1
69.07053	0.5
69.57598	2.9
70.06584	0.5
72.08154	0.5
84.04479	0.5
84.08176	0.6
85.02898	1.7
86.09673	0.5
87.04465	1.0
91.05488	1.2
96.62311	0.5
97.02898	0.6
119.55229	0.5
125.09528	0.7
127.03960	0.8
133.04872	0.6
153.12825	0.8
169.04802	0.7
171.09932	9.7
197.88313	0.6
199.09406	5.3
315.14063	2.2
333.15207	22.9
333.62448	0.5
369.73047	0.5
375.16263	48.4
419.15125	100.0
420.15558	1.5
425.21182	0.5
426.39557	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81187	3.1
55.05502	11.0
57.07083	6.1
65.03937	4.1
67.05506	23.6
69.03408	5.1
69.07053	15.6
69.83031	15.9
71.04996	7.3
71.72691	3.2
79.05479	18.7
79.73602	3.3
81.07050	30.0
83.08614	9.9
85.06531	5.0
91.05473	32.0
93.07050	43.5
95.04971	8.7
95.08614	30.8
98.21432	5.1
105.06403	3.5
105.07036	85.1
107.08595	59.6
109.06521	93.3
109.10165	26.4
111.08073	11.0
117.07029	14.7
119.08581	82.2
121.06552	4.7
121.10158	62.9
123.08077	12.2
123.11736	21.8
128.06216	8.6
129.07037	19.2
130.07808	4.4
131.08585	46.8
133.10133	75.9
135.08031	13.1
135.11714	33.5
137.09680	5.1
137.13271	5.8
141.07033	7.9
142.07764	22.2
143.08565	44.2
144.09387	4.6
145.10120	51.0
147.08041	16.4
147.11710	19.4
149.09642	17.6
149.13264	5.2
155.08536	20.5
156.09341	10.1
157.10132	55.0
159.08009	10.2
159.11714	26.6
161.09605	15.8
161.13333	5.7
163.07634	3.8
163.11227	6.5
163.14926	3.9
165.07016	8.0
167.08556	13.0
168.09315	8.3
169.10121	25.6
170.10901	4.7
171.11729	24.6
173.09697	18.9
173.13222	29.2
175.11176	11.4
175.14842	15.6
177.09224	3.7
179.08563	13.5
180.09404	7.7
181.10107	15.3
182.10924	5.1
183.11688	25.2
185.09637	9.6
185.13257	18.7
187.11162	10.4
187.14833	19.5
189.16284	4.2
192.09378	6.5
193.10136	12.6
194.10945	6.9
195.11713	26.3
197.09621	7.8
197.13240	18.5
199.11140	14.9
199.14755	8.2
201.09166	3.6
201.12727	9.8
201.16336	6.8
203.10698	5.1
205.10080	5.2
206.10869	11.1
207.11745	21.2
208.12480	6.2
209.13246	23.7
210.10278	4.9
211.11237	8.2
211.14851	14.3
213.12720	7.9
213.16318	8.5
217.10179	3.9
219.11678	6.6
220.12463	9.9
221.13257	18.7
222.10408	4.0
223.11168	8.8
223.14767	15.8
225.12848	7.4
225.16460	9.2
227.14301	4.1
229.12172	6.4
231.17395	5.1
233.13304	11.0
234.14026	5.7
235.14842	15.3
237.12700	5.3
237.16315	8.6
239.17873	7.8
241.19499	4.7
244.12442	4.7
245.13101	5.5
247.14803	7.2
248.15565	4.2
249.16425	4.6
251.14308	6.1
251.17972	4.9
253.15773	8.8
253.19626	4.5
259.14859	7.7
261.16302	5.4
263.14203	3.9
265.19623	5.3
277.15903	7.7
281.19019	4.8
285.16232	6.2
295.16971	8.2
299.18216	4.9
341.22449	5.4
343.20142	4.8
357.25696	13.4
359.23492	9.8
375.26505	16.7
399.26645	26.7
417.27927	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51198	1.8
53.03941	6.9
55.01865	5.3
55.05508	15.5
56.96568	1.7
57.03182	2.5
57.03439	26.6
57.07076	1.9
61.02642	2.6
61.02927	30.5
61.61292	1.6
65.03943	2.7
67.05505	50.1
69.03434	24.2
69.07068	14.1
69.13254	1.6
71.01347	7.4
71.04980	8.4
71.57188	3.7
73.02921	15.9
79.05492	40.9
81.03419	29.8
81.07063	26.8
83.04979	20.7
83.08627	4.7
85.02909	34.1
85.06541	5.9
85.88331	1.6
87.04455	1.8
87.66219	1.6
91.03956	17.5
91.05468	23.2
93.07043	49.0
95.04964	8.1
95.08601	9.9
97.02895	27.4
97.06517	17.2
97.10175	10.1
98.97582	4.0
99.04453	7.1
99.08099	2.8
101.02403	6.3
103.03940	6.8
105.07051	11.9
107.04951	5.1
107.08592	37.1
109.02866	11.4
109.06525	4.9
109.10134	7.8
111.04424	5.6
111.08107	2.0
111.11737	2.1
115.03939	2.4
117.07011	7.8
119.08583	9.6
121.06483	3.2
121.10179	13.1
125.09609	2.9
127.03937	18.4
129.05464	6.1
131.08537	4.9
133.10120	8.5
135.08063	2.8
135.11691	72.7
137.05968	3.5
137.09543	2.1
143.08542	2.4
145.04970	6.5
145.10126	12.9
147.11726	2.9
149.09584	2.2
151.11232	3.7
162.09099	5.4
163.09727	3.3
163.11182	18.5
167.07002	2.3
181.10757	3.0
181.12248	35.5
183.06520	5.6
185.13188	2.1
191.09457	3.2
192.10132	5.9
193.10576	3.1
199.13324	5.7
200.20076	3.0
201.07564	3.5
205.12300	2.4
237.09032	1.8
253.14381	2.3
255.15926	100.0
283.15344	3.9
297.17105	3.6
325.16235	3.2
350.28229	1.8
363.18069	2.0
381.19128	4.9
399.20139	12.4
417.20358	6.8
417.24661	15.0
418.21713	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	417.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01869	4.3
55.05515	10.8
57.03439	20.9
61.02931	44.5
65.03947	1.9
67.05510	49.3
69.03435	19.0
69.07083	12.2
70.66983	4.8
71.01351	6.4
71.04984	5.0
73.02919	23.2
79.05498	41.7
79.05965	1.8
81.03421	22.3
81.07053	17.8
83.04987	13.4
83.08618	1.9
85.02907	46.9
85.06556	6.0
87.04479	3.1
90.94675	1.5
91.03964	27.0
91.05485	19.0
93.06477	3.0
93.07048	48.9
95.04968	5.5
95.08607	6.1
97.02892	39.6
97.06528	15.9
97.10172	7.0
99.04459	6.9
99.08096	3.0
100.79197	1.7
101.02393	9.7
103.03963	5.7
103.05498	1.9
105.07035	5.2
107.04981	2.7
107.08604	34.9
109.02890	8.7
109.10184	6.2
111.04430	1.7
111.07998	2.4
115.03918	1.9
116.43674	1.6
117.07034	4.6
119.08591	7.4
121.06525	2.3
121.10137	10.9
125.09647	3.6
127.03920	23.0
129.05513	3.7
130.06529	5.7
133.10136	4.5
134.67889	1.7
135.11696	91.0
137.09624	3.2
143.08586	1.8
145.04974	6.5
145.10143	14.4
146.05998	1.9
147.11664	2.1
153.12813	3.7
163.11177	19.5
173.54996	1.7
181.12247	47.1
183.06601	5.8
185.07048	2.0
199.13310	2.9
201.07648	3.7
255.15941	100.0
283.15375	3.6
297.16956	5.4
314.76505	1.6
339.18100	2.5
353.14011	2.2
399.20096	6.7
400.21466	1.7
417.16061	3.2
417.21298	12.8
417.25830	1.5
422.21286	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.7
61.02930	0.8
67.05515	0.6
69.03423	1.7
69.77256	0.4
71.56338	0.8
73.03432	0.4
79.05482	1.2
81.03411	1.1
81.07075	0.6
83.04963	1.0
85.02907	2.4
86.09756	0.5
91.05495	1.0
94.06538	0.5
95.08611	0.8
97.02909	1.2
98.97041	0.5
98.97562	3.1
104.99010	0.5
105.07051	1.6
107.08605	0.6
109.10173	0.6
111.08076	0.8
117.06995	0.6
119.08620	0.5
121.10154	0.8
123.04401	0.8
127.03916	1.0
131.08554	0.7
133.10139	0.8
137.05923	0.5
144.76173	0.5
145.06483	0.9
151.11256	0.8
153.05342	0.5
158.99712	1.2
164.07112	0.6
167.07042	12.1
169.12245	0.8
169.79387	0.5
173.06030	1.7
177.00819	0.8
181.04974	3.4
205.08640	0.5
217.08742	0.8
219.01897	0.5
219.17363	0.5
233.08208	0.8
235.09648	0.7
238.03845	0.5
257.06937	0.7
299.17474	0.5
319.28119	0.6
329.10034	0.7
359.09973	0.6
370.79031	0.5
373.18237	0.7
382.16522	0.5
387.14514	1.3
388.17572	0.7
417.17307	100.0
418.17490	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.5
56.96542	0.3
57.03437	0.4
63.08131	0.3
67.05501	0.6
69.03419	1.0
69.07055	0.5
70.06593	0.6
71.04999	0.4
71.56037	0.4
72.08148	0.5
79.05487	0.7
81.03410	0.3
81.07051	0.7
83.04963	0.4
85.02908	1.6
86.09718	0.3
88.16431	0.3
89.78033	0.3
91.05451	0.3
93.07012	0.4
95.04913	0.4
97.02881	0.6
97.06519	0.7
98.97575	1.3
100.53941	0.3
103.05458	0.4
105.07058	0.4
107.04973	0.6
107.08575	0.7
108.83954	0.3
109.10154	0.4
116.98633	0.5
117.07000	0.4
123.04420	0.7
123.08048	0.4
124.05177	0.4
127.03941	0.4
133.10106	0.6
153.09161	0.5
155.02087	0.3
158.99681	0.5
167.07021	6.4
173.05992	1.0
181.04936	1.8
217.08711	0.6
219.01836	0.4
221.05344	0.3
233.08002	0.4
285.13113	0.4
293.32877	0.3
299.17447	0.4
310.07654	0.3
359.10068	0.7
373.18182	0.5
387.14505	0.8
417.17313	100.0
418.17569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03391	0.5
69.75723	1.9
70.06586	1.0
72.08176	0.4
72.78004	0.3
77.15443	0.3
81.07043	0.3
85.02887	0.6
86.09697	2.0
91.05469	0.4
93.07045	0.4
97.02872	0.4
98.20805	0.3
98.97587	0.6
101.00893	0.4
101.29691	0.3
104.16965	0.3
105.07026	0.5
107.04963	0.4
107.08527	0.4
108.54231	0.3
116.50549	0.3
123.04489	0.3
125.23264	0.4
127.02391	0.4
129.10353	0.3
131.01961	0.5
133.10129	0.6
143.01884	0.8
145.03479	0.8
147.11700	0.4
149.09586	0.3
155.01912	0.6
157.03481	0.6
161.02980	0.7
173.02924	0.5
185.02950	0.6
197.03043	0.3
198.95322	0.3
203.04094	0.4
217.08710	0.3
225.09981	0.5
256.13376	0.7
303.12903	0.9
335.09790	0.5
339.18915	0.3
355.16107	0.4
387.15045	0.7
399.19418	0.5
417.17279	100.0
418.17386	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90832	1.1
53.03941	1.4
53.68851	1.1
55.05507	1.6
56.96561	26.2
57.03438	2.1
59.94202	1.1
61.02935	1.4
64.16071	1.1
65.03970	1.6
67.05494	1.6
69.03436	9.4
69.07063	2.9
69.65663	7.7
70.06596	5.3
71.05000	1.6
72.08164	5.1
73.02914	2.8
79.05516	1.8
81.03430	5.3
81.07049	2.1
83.05000	2.1
84.04491	1.7
84.08163	2.7
85.02911	14.6
86.09703	15.0
87.00838	2.8
87.04441	1.6
91.03973	1.7
91.05486	2.3
91.09489	1.1
93.07070	2.8
95.04958	2.8
95.08619	1.7
97.02888	6.3
97.06536	1.9
98.21499	1.6
98.97577	9.0
99.04479	2.2
102.05569	2.2
107.05026	1.9
107.08626	2.9
109.02898	3.7
112.99162	1.5
115.03870	1.5
119.08605	3.6
119.25513	1.1
123.04498	1.7
123.09196	17.6
124.03909	1.7
127.03897	6.3
128.98608	2.3
129.10205	1.7
131.00150	1.3
135.08040	1.8
137.05997	2.6
139.00658	2.4
145.04980	2.9
147.04498	1.5
147.08023	2.5
151.00659	15.2
151.01596	1.3
151.07623	2.1
151.08688	13.8
151.11226	2.5
152.07117	1.3
158.99666	2.4
159.02991	1.9
164.07146	4.1
167.07108	3.5
169.01718	15.0
169.09732	14.1
169.12157	1.6
171.03395	1.5
175.07550	9.7
177.00807	2.0
179.03973	1.7
181.05307	5.7
187.02852	2.7
188.12753	1.2
189.04390	1.7
197.04831	1.6
199.06396	22.3
199.07994	1.8
201.12268	2.0
207.03317	3.0
211.02977	1.8
211.06393	7.2
217.07458	22.3
219.01802	3.5
219.13882	2.4
219.17323	1.4
222.08170	1.7
225.04341	35.6
229.07359	6.9
229.11891	2.2
232.12943	1.5
233.08330	1.8
237.02971	2.1
237.18524	1.6
239.01949	1.3
243.05417	56.1
255.05432	28.6
261.06491	24.0
266.07187	3.1
273.06454	100.0
274.06787	2.0
291.07681	3.7
296.07956	8.5
331.10718	3.4
350.37692	1.6
359.12955	2.9
370.16553	1.8
387.09732	1.7
388.17657	4.6
399.19992	2.5
408.86539	1.6
417.11649	73.6
417.16739	6.1
417.21298	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.357
Annotation	13Z,16Z,19Z,22Z,25Z-octacosapentaenoic acid
Peak:m/z	Relative Intensity
55.05513	10.7
57.07079	7.2
58.19875	3.4
64.42072	3.9
67.05508	16.9
69.07072	22.8
69.39925	3.5
71.04993	7.7
71.56152	5.2
79.05479	10.8
81.07058	61.1
83.08618	6.3
91.05490	11.8
93.07051	34.6
95.08608	49.3
97.06499	5.3
97.10177	5.8
99.04460	22.9
99.08086	6.0
105.07019	13.0
107.08588	29.6
109.10159	37.5
111.08076	4.0
119.08589	100.0
121.06540	3.4
121.10158	22.6
123.11710	17.4
125.09590	3.9
131.08598	3.7
133.10117	15.9
135.11696	18.4
137.13257	10.8
141.09105	11.4
145.10152	6.1
147.11699	8.2
149.13292	22.2
151.07555	4.6
151.11148	6.3
157.71425	3.7
159.11700	6.5
161.13287	10.0
163.14828	11.8
173.13373	5.5
175.14812	8.8
187.14806	7.0
191.17792	4.5
217.19502	5.1
219.21054	3.9
224.21864	3.9
233.22737	5.8
265.40173	3.6
287.27524	3.8
309.92715	3.8
397.34698	14.2
415.35886	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	417.117
Annotation	Melibentin
Peak:m/z	Relative Intensity
55.05513	2.2
56.96563	21.4
57.03421	1.3
61.02930	1.5
69.03424	5.1
69.43384	1.1
69.68890	6.1
70.06601	5.3
72.08158	12.4
73.02900	1.1
79.43240	1.0
81.03420	2.3
81.07060	1.9
81.68183	1.0
85.02905	8.1
86.09708	7.8
91.05493	2.1
93.07041	1.7
95.04919	1.7
97.02915	4.5
97.06479	1.6
98.97615	5.1
105.07025	1.9
105.15380	1.0
107.04958	1.7
107.08580	1.8
109.02877	2.4
110.97600	2.8
112.99077	1.4
114.09168	2.2
115.00698	1.2
116.98515	1.2
123.09233	6.6
125.09666	1.0
127.00669	1.1
127.03930	3.0
133.10104	1.0
135.08081	2.3
137.05989	1.8
139.00688	1.8
140.07048	1.3
143.11812	1.4
150.05380	1.1
151.00670	15.2
151.08685	3.6
151.11157	1.1
153.02290	2.3
157.01785	1.5
165.02228	1.2
167.07129	1.8
169.01709	14.3
169.09784	3.6
170.99750	1.6
171.03264	1.6
175.07568	3.6
179.03891	2.4
181.05333	4.1
183.03307	2.5
187.02802	2.0
197.04970	1.8
199.06409	17.5
207.03325	4.4
211.06401	5.9
213.12399	3.3
217.07462	18.9
219.01819	1.6
225.04335	34.9
229.07555	3.0
229.15536	1.5
237.02608	1.3
243.05417	58.3
255.05498	29.9
255.15686	1.5
261.06458	16.4
266.06985	1.6
273.06451	100.0
274.06854	1.2
291.07596	4.0
296.08063	6.3
321.27094	1.0
331.10611	1.8
370.16223	1.7
373.17780	2.8
387.09677	2.2
388.17648	2.5
399.16180	1.2
417.11520	91.0
417.21027	38.9
418.11386	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01872	14.9
55.05516	17.9
56.96571	2.1
57.03431	4.7
57.07075	4.3
67.05509	31.8
68.99775	3.0
69.03438	6.6
69.07073	17.9
70.34183	7.9
71.04990	5.8
71.08637	23.8
78.36189	1.9
79.05499	28.3
81.00677	1.9
81.03416	2.3
81.07057	34.6
83.04989	6.5
83.08631	15.0
85.02897	3.8
85.06562	3.7
85.10180	3.9
86.09712	2.9
87.00833	8.2
91.05482	19.8
93.07037	28.6
95.04985	8.1
95.08616	25.6
97.02889	3.2
97.06525	47.9
97.34347	1.8
98.97590	3.2
99.08088	22.9
104.10761	4.4
105.01950	2.1
105.07020	15.3
107.04973	4.7
107.08594	13.8
109.06518	2.7
109.10152	9.5
111.08056	10.0
113.09660	7.2
117.03356	3.3
117.07043	6.1
119.08584	15.3
121.06557	4.3
121.10159	14.9
123.11734	3.4
124.99979	2.2
125.09667	2.6
129.07011	1.9
131.08592	8.7
133.06528	3.3
133.10138	13.0
135.04414	2.2
135.08075	2.7
135.11713	11.1
137.06065	3.0
137.09590	2.2
137.13336	4.2
139.11201	3.2
140.69969	1.9
145.10161	6.5
147.11716	7.1
149.09624	4.0
149.13287	9.1
151.11209	4.1
153.12762	1.9
156.03690	2.4
157.01088	42.4
157.57719	1.9
159.11754	6.8
161.02417	5.6
161.13310	3.3
163.03899	20.2
163.11226	5.7
165.12816	7.8
167.14432	2.2
169.12331	2.2
173.02345	10.6
173.06346	2.1
173.09576	1.9
175.11423	2.1
176.10789	2.1
177.12805	3.8
183.13884	6.5
184.07375	10.8
215.07051	11.8
219.20999	2.2
229.19556	6.2
244.09868	2.3
247.20639	12.9
257.19214	2.6
259.09619	17.7
265.21634	100.0
275.20157	5.4
283.22595	10.8
291.03433	2.7
291.19586	4.3
299.08911	12.4
301.13168	2.5
301.63263	3.5
302.13846	8.8
302.17535	4.9
302.63837	3.3
311.22159	11.1
351.21866	3.0
379.21530	6.2
397.22235	21.8
415.10153	64.1
415.15866	10.2
416.24200	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	414.954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	6.2
61.40252	0.4
68.30969	0.4
70.11409	1.7
71.52856	0.3
71.95272	2.1
77.47736	0.5
84.47222	0.3
98.97585	87.3
110.97581	1.4
116.98624	28.8
128.98637	0.6
130.93307	0.7
134.99663	5.0
140.00214	0.7
143.00221	0.5
158.99699	0.6
172.94366	4.7
190.95457	2.8
208.96442	0.5
214.95377	4.8
219.01810	1.3
229.00159	0.4
232.96480	6.0
237.02760	0.9
247.30568	0.4
250.97650	2.0
256.96454	22.8
274.97510	100.0
275.97858	0.9
292.98575	42.9
297.98895	2.1
328.91974	0.5
330.93149	0.5
341.03400	0.4
373.04453	1.8
414.90338	0.7
414.95404	6.7
432.96445	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	415.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
56.96563	21.5
57.03438	1.5
61.02919	1.6
67.16378	1.2
69.03414	3.9
70.06576	4.6
71.55621	1.8
80.42878	1.1
83.88128	1.1
84.96022	10.4
85.02904	8.0
86.06081	1.5
97.02915	3.3
98.97581	71.1
109.02871	1.1
110.97568	26.8
112.99126	5.1
113.90242	1.3
116.98623	22.1
121.01679	1.7
124.99107	4.0
127.03972	1.7
128.98601	21.5
131.00174	4.9
134.99669	5.8
137.05956	1.7
140.98515	2.9
143.00166	12.9
144.98074	2.0
146.99635	8.5
149.01166	2.1
151.03853	2.0
158.99649	6.4
161.01207	15.0
162.99123	2.5
168.06577	1.3
170.99600	6.3
174.97176	1.3
177.00644	6.3
177.94458	1.6
179.02292	3.3
182.99615	1.6
185.01407	1.5
189.00705	5.5
201.00676	7.3
210.99095	5.4
211.02745	1.6
219.01773	50.6
229.00166	19.0
229.03683	1.8
237.02809	49.8
237.05162	2.9
244.81427	1.2
247.01228	12.2
247.04906	2.8
253.00163	1.5
255.03781	1.8
260.04456	2.0
295.01141	1.5
305.55539	1.4
307.01410	6.7
307.04526	1.8
325.02338	1.5
337.02179	2.0
355.03302	28.6
355.07104	10.7
373.04407	100.0
396.05981	3.8
415.05307	2.2
415.22125	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.01871	4.3
55.05503	4.2
56.96578	1.9
57.03437	18.6
57.51730	1.4
58.58926	1.4
59.04997	4.6
60.04500	1.9
60.90868	1.7
61.02923	5.6
62.77979	1.3
67.05514	3.8
69.03432	60.4
69.07058	3.9
70.06588	2.4
71.04989	2.7
71.56272	1.5
73.02919	3.1
78.38638	1.3
79.05486	4.9
80.05007	3.2
81.03417	4.4
81.07052	2.8
83.05001	2.7
85.02907	83.0
86.09688	1.9
87.04469	45.8
91.03941	2.3
91.05481	4.8
93.07039	4.8
95.01349	1.9
95.04952	4.2
95.08615	2.9
96.04468	1.7
97.02894	58.7
97.06535	14.6
98.97592	12.1
99.04460	3.8
104.83221	1.3
104.83949	1.4
105.03390	24.5
105.07017	3.9
107.08579	4.2
108.24806	1.4
109.02899	5.7
109.06496	2.0
115.03931	70.2
116.98601	3.0
119.04953	1.6
123.00793	28.0
123.04436	13.3
124.03959	100.0
125.04320	1.8
125.09623	3.0
126.09941	2.8
127.03925	18.5
128.98642	1.9
131.08627	2.1
131.09589	1.6
133.04965	87.7
133.10149	2.3
137.06000	4.1
141.01790	11.2
143.00208	1.6
145.04967	42.8
147.04430	4.7
150.07616	11.2
150.32076	1.6
151.00699	1.8
158.99663	2.6
161.05888	1.7
163.03958	3.0
163.06020	15.7
165.05469	6.1
169.01328	44.3
169.02768	2.4
177.00612	2.5
189.71339	1.5
215.07091	3.5
219.01816	1.8
233.11783	2.5
237.02841	3.1
241.07214	3.6
259.07956	3.6
265.16428	3.8
277.09210	2.2
295.10196	2.6
323.08026	3.5
333.04312	1.8
341.09149	2.1
363.12708	1.6
365.09027	2.9
379.15289	4.4
396.18555	2.9
396.23419	2.4
414.18671	4.8
414.24692	4.2
415.15503	3.8
435.15350	3.8
438.99347	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.01869	1.5
55.05509	0.9
57.03439	2.4
59.05004	15.8
61.02926	1.2
68.99782	0.7
69.03432	7.3
70.06581	1.2
70.57988	0.9
71.04989	0.8
72.08173	0.6
73.02916	1.6
73.06559	100.0
81.03413	5.0
81.07078	0.7
83.08644	0.5
84.08140	0.7
85.02909	17.6
87.00831	7.1
87.04478	0.7
91.05496	1.2
93.33873	0.5
97.02894	5.7
98.97606	0.9
99.04463	2.6
105.01868	5.3
109.02884	5.2
109.03518	0.6
115.03954	0.5
117.09120	3.8
124.04025	0.6
127.03929	9.3
127.04813	0.7
131.08592	0.5
131.10684	12.3
137.05913	0.5
145.04927	2.8
149.11740	56.7
155.84360	0.5
159.02969	2.3
162.37030	0.5
179.45287	0.5
192.07635	0.6
213.03987	0.7
214.07144	0.6
217.14450	1.5
231.05089	1.1
235.13362	0.7
249.06090	0.6
252.09843	0.9
270.10971	1.5
286.91190	0.6
334.20544	0.6
360.24908	0.5
414.16919	6.9
427.12952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	3.1
71.56654	3.0
81.07056	4.3
84.11419	1.7
91.05464	2.1
93.07005	2.1
95.08594	2.4
104.99265	5.1
105.03391	3.7
105.07063	2.3
107.08588	2.9
159.11742	1.9
192.66429	1.8
207.50105	2.0
234.20198	1.9
236.26155	1.8
273.75305	2.0
331.22430	100.0
392.08206	2.0
413.21625	1.9
413.33456	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	413.3408
Annotation	10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoic acid
Peak:m/z	Relative Intensity
53.03947	2.7
55.05512	15.0
57.07072	1.8
65.03950	1.7
67.05508	36.8
69.07070	13.0
71.04984	1.8
71.56767	1.2
73.06565	2.3
77.36349	1.3
79.05496	22.2
81.06583	2.8
81.07056	42.8
83.08611	5.0
85.06538	1.9
91.05489	20.8
92.12091	1.2
93.07055	26.7
95.04967	1.6
95.08612	29.4
97.10159	4.4
105.07042	26.8
107.08595	15.3
109.06527	2.1
109.10159	16.2
117.07022	26.2
119.08591	22.4
121.10152	10.7
123.08069	1.3
123.11749	6.3
125.09629	1.2
129.06987	5.8
130.07837	1.9
131.07599	1.7
131.08569	31.4
133.10144	18.5
135.11714	10.3
137.13243	1.5
143.08563	8.2
145.10132	22.2
147.11696	14.4
149.13306	6.2
151.06050	1.2
155.08611	2.3
157.10091	6.5
159.11703	24.1
161.13257	8.5
163.14835	3.6
169.10115	2.4
169.74290	1.2
171.11707	5.5
173.13266	20.3
175.14836	4.9
177.16368	3.6
183.11754	1.7
185.13281	4.1
187.14783	11.3
189.16435	3.0
197.13275	1.2
199.14839	4.7
201.16435	8.3
203.18092	2.4
209.13397	1.3
211.14767	1.5
213.16495	1.8
215.18008	7.8
223.14963	1.6
227.18004	2.5
229.19545	3.8
243.21120	2.8
255.21082	1.6
257.22684	2.3
291.23254	2.3
303.23215	2.8
305.24835	1.8
311.23849	2.6
317.24860	2.5
319.26144	1.6
331.22620	2.2
331.26450	1.6
343.26337	3.5
353.28510	1.4
381.31653	7.5
413.20975	3.7
413.26651	12.3
413.34189	100.0
414.34122	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	413.2169
Annotation	(+)-Ixerin H
Peak:m/z	Relative Intensity
53.03954	9.3
54.96285	1.2
55.01876	4.1
55.05511	10.2
57.03442	20.6
60.90863	1.1
62.47708	1.1
67.05180	2.3
67.05505	30.7
69.03432	31.9
69.07073	10.9
69.53230	6.3
69.53643	2.8
71.01341	2.2
71.04996	9.2
73.02926	3.0
77.22971	1.3
79.05490	18.4
81.03421	46.0
81.06583	2.4
81.07056	42.3
83.04985	17.9
83.08640	7.6
85.02909	17.3
85.06523	4.2
91.05482	17.6
91.73623	1.3
93.06484	2.3
93.07044	28.9
95.04973	7.5
95.08614	15.2
97.02901	24.1
97.06528	9.0
98.20752	2.4
99.04482	8.5
99.08102	2.2
101.02393	2.5
103.03944	3.7
105.07047	11.4
107.04941	5.4
107.08588	16.4
109.02881	10.8
109.06504	3.7
109.10146	2.8
111.04424	6.1
111.08055	4.1
115.03860	1.5
115.05457	1.9
117.07015	6.0
119.08585	6.9
121.06466	4.2
121.10133	9.1
123.00799	6.1
123.04420	1.7
123.08064	2.7
123.11678	2.4
127.03925	10.5
129.05469	5.4
129.06984	2.9
131.04889	2.3
131.08569	9.2
133.06528	2.4
133.10158	11.3
135.08025	2.3
135.11668	6.5
137.09641	2.0
141.01808	2.6
143.08519	2.1
145.04956	2.6
145.10124	2.6
147.11700	6.4
149.09607	1.9
149.13275	14.5
155.08606	1.3
159.11700	12.3
161.09648	1.6
163.11194	2.2
165.12779	3.6
169.01335	6.6
169.08627	1.6
171.11667	2.0
175.11237	1.7
177.12790	8.3
183.06520	3.2
183.11761	1.7
195.13811	20.1
201.07616	1.9
213.14859	3.5
219.13817	2.3
233.15414	1.5
261.14874	2.0
266.06580	1.9
269.17477	13.2
297.16931	2.6
303.15881	2.9
321.17014	3.3
339.17975	5.3
356.77985	1.3
377.19510	2.2
395.20663	6.5
413.21655	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84886	2.7
53.03947	4.6
55.01869	7.6
55.05520	16.8
57.03438	21.0
66.29478	3.1
67.05502	42.7
69.03424	7.9
69.07080	25.9
69.19384	34.8
71.05005	5.6
76.34400	3.1
79.05495	56.0
81.06585	5.9
81.07056	100.0
83.04962	11.1
83.08624	7.1
85.06525	11.4
87.00834	17.0
91.05480	50.7
93.06469	5.3
93.07042	60.3
94.40362	3.7
95.04942	8.0
95.08604	67.7
97.06542	21.0
97.17386	3.5
99.08091	38.2
101.05997	4.2
105.07037	45.7
107.03797	4.1
107.08604	39.5
109.06493	8.7
109.10169	16.7
111.08076	6.3
115.07531	4.0
117.07012	20.8
119.08583	39.5
121.06503	5.3
121.10166	20.8
123.08029	9.7
125.09606	13.5
127.03896	3.2
129.06978	10.5
131.08577	37.0
133.10130	27.4
135.07953	3.6
135.11702	9.5
137.09598	7.3
139.11160	12.5
140.34923	3.3
141.09087	10.0
142.88107	3.4
143.08554	11.2
143.10611	3.8
145.10126	30.3
147.11699	26.9
148.02094	9.4
149.09683	4.4
149.13234	4.6
151.11119	4.5
157.10089	11.9
159.10167	12.1
159.11676	25.7
161.09604	3.3
161.13199	10.5
165.12793	3.6
166.03227	12.4
167.27695	3.3
171.11670	13.4
173.13252	45.1
179.10687	3.7
183.11685	5.1
185.13290	6.4
189.16391	14.0
199.14803	5.7
201.12686	5.8
201.16338	5.1
209.15454	3.5
217.12260	3.9
217.15889	4.2
219.13666	3.8
227.17966	16.2
233.15346	10.2
237.14729	5.8
245.19044	47.5
255.08470	5.7
263.17456	5.8
263.20062	74.4
271.16937	6.5
273.18567	3.8
281.21063	16.9
291.19516	9.0
295.27359	3.1
305.20917	4.5
309.20569	12.4
323.14896	32.5
331.18695	3.3
333.20688	4.2
339.17868	5.1
351.21506	3.9
377.19562	45.5
395.20718	33.9
413.21329	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	413.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.1
55.01867	4.5
55.05502	12.7
65.03942	4.5
67.05228	3.7
67.05508	43.3
69.03440	4.4
69.07076	25.3
70.06577	8.6
71.04985	8.2
79.05491	50.3
81.03397	5.8
81.06587	6.5
81.07055	100.0
81.95408	3.5
82.58948	3.5
83.04967	7.3
83.08611	4.7
85.06549	21.9
87.00819	12.4
91.05477	39.7
92.29902	3.6
92.86389	3.9
93.07043	38.2
95.04942	7.9
95.08612	72.4
97.06511	12.0
98.20776	9.1
99.08096	29.9
105.07024	46.5
106.90783	4.2
107.04945	6.0
107.08608	43.5
109.06510	7.7
109.10146	17.7
111.08052	7.6
117.07008	18.1
119.08588	43.1
121.10138	29.4
123.08038	9.5
125.09637	4.9
129.07007	7.4
131.08546	39.0
133.10127	29.6
135.08017	5.4
135.11681	12.4
141.09128	8.8
143.08566	10.3
145.10117	50.6
147.11702	24.6
147.12732	5.4
149.13239	7.6
151.11093	4.4
157.10078	6.8
159.10216	10.7
159.11707	23.3
161.13245	10.3
163.11154	6.7
171.11670	14.1
172.12581	4.2
173.13223	4.7
181.12267	5.3
185.13312	10.4
187.14780	14.8
203.17937	5.2
227.17941	24.2
245.19052	71.3
246.14674	5.0
255.17661	5.6
263.20074	64.4
271.16867	16.9
273.18414	4.9
281.21164	23.3
289.17798	4.2
291.19522	9.7
298.95441	3.8
309.20520	6.9
333.20523	7.9
337.16406	16.0
377.19568	59.4
395.20630	28.1
413.21393	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	413.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56900	1.6
53.03952	8.6
55.01861	3.9
55.05517	13.3
57.03444	24.6
65.03935	2.3
67.05509	32.8
69.03086	2.4
69.03433	38.1
69.07069	10.1
69.54183	11.5
71.01343	3.6
71.04981	6.4
73.02919	3.8
73.99961	1.7
79.05505	23.7
81.03424	43.8
81.06593	2.7
81.07063	50.3
81.73348	1.7
83.04985	16.8
83.08646	8.7
85.02910	17.7
85.06513	3.8
91.05489	20.8
93.07049	28.1
95.04960	7.6
95.08624	13.7
97.02901	24.2
97.06547	8.4
99.04452	10.6
103.03943	3.0
103.05463	2.0
105.07024	12.7
107.04921	4.2
107.08598	16.7
109.02871	11.4
109.06493	2.2
109.10136	2.4
110.14669	1.9
111.04443	6.1
111.08045	4.5
117.07031	8.6
119.08548	3.7
121.06508	4.0
121.10149	10.6
123.04417	2.6
123.08096	1.9
123.11715	2.9
127.03925	14.9
129.05472	6.0
129.06989	3.7
131.04956	1.9
131.08554	9.8
133.10168	10.2
135.11743	8.2
145.04950	3.2
145.06485	2.2
145.10144	3.3
147.08034	2.0
147.11697	7.8
149.09561	1.7
149.13271	20.6
151.11180	2.1
157.10083	2.5
159.08202	2.1
159.11668	10.3
161.09650	2.0
165.12747	4.5
173.13289	1.8
177.12773	8.7
183.06541	2.4
195.13815	20.2
203.14247	2.2
213.14877	6.1
236.74443	1.5
249.15004	2.1
261.14786	2.0
269.17462	14.5
275.16580	2.3
279.15457	1.9
297.16946	3.3
303.15820	3.0
339.18066	4.7
395.20670	5.7
413.21646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.217
Annotation	(+)-Ixerin H
Peak:m/z	Relative Intensity
53.03948	7.3
53.34504	1.3
55.01863	4.0
55.05510	10.6
57.03186	1.8
57.03437	20.0
61.02910	1.5
65.03938	2.3
67.05506	28.8
68.43629	1.1
69.03082	2.1
69.03434	27.9
69.07068	11.1
70.17072	3.8
71.01347	2.0
71.04993	8.3
71.55103	0.9
73.02913	4.1
79.05495	20.4
81.03417	42.0
81.06581	2.3
81.07059	42.5
83.01334	1.5
83.04982	15.7
83.08618	8.8
85.02905	16.5
85.06540	2.5
85.31643	1.0
87.04430	1.6
91.05482	19.3
93.07040	26.6
95.04960	6.5
95.08605	10.4
97.02895	19.4
97.06534	6.7
97.10182	1.4
99.04456	9.3
99.08066	1.9
101.02386	2.8
103.03928	2.9
105.07024	9.4
107.04939	4.4
107.08607	15.4
109.02876	9.2
109.06506	2.6
109.10162	2.3
111.04451	6.4
111.08064	3.4
117.07030	7.2
119.08573	6.4
121.06496	3.0
121.10165	8.3
123.04433	1.4
123.08056	1.5
123.11707	2.0
127.03937	10.9
129.05466	5.0
129.06990	1.6
130.30891	1.0
131.08553	7.5
133.06487	1.5
133.10129	9.1
135.08075	2.5
135.11697	4.8
137.06004	1.5
143.08603	1.1
145.04973	2.1
145.06429	2.0
145.10139	3.2
147.08034	1.7
147.11700	4.9
149.09641	1.8
149.13266	16.3
155.08594	1.1
157.10175	1.7
159.08133	1.3
159.11679	10.8
161.13223	2.3
165.12779	3.1
167.14365	1.1
171.11655	1.7
173.04477	1.5
173.13287	2.3
175.11160	1.7
177.12788	7.1
179.14375	1.5
183.06534	3.3
195.13811	19.1
201.12775	1.7
203.06917	1.0
213.14857	3.5
219.13794	1.8
231.13840	1.3
233.15331	1.4
249.14876	1.4
251.16469	1.5
261.14706	1.4
269.17465	13.5
275.16391	2.0
279.15787	1.1
285.14819	2.2
297.16977	3.2
303.15915	1.9
321.16937	2.6
334.12210	1.0
339.18069	4.9
377.19562	2.4
395.20633	5.3
413.21692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01858	2.3
55.05272	2.3
55.05513	38.4
56.96561	5.0
57.03433	4.7
61.02933	2.8
69.03424	14.9
69.07047	2.5
70.06598	13.0
71.04974	2.4
71.18380	4.0
72.08112	2.6
72.48939	2.0
73.02915	4.3
74.06062	3.6
75.23493	2.0
75.56385	2.4
81.03407	5.0
81.07060	2.5
83.08622	73.0
83.09115	4.2
84.08141	4.4
85.02915	22.0
86.09699	5.6
87.04459	4.1
95.04983	2.5
95.08587	3.6
97.02898	16.1
97.06532	2.2
98.06055	3.7
98.49268	2.0
98.97578	9.2
98.98206	1.8
99.04421	2.9
101.09041	3.9
101.09663	59.9
102.05473	2.2
110.97573	3.2
115.03922	7.9
116.98634	3.1
119.10711	26.7
120.06575	7.5
126.05505	3.5
127.03887	5.7
133.04915	5.8
136.06192	100.0
137.05969	3.2
138.19395	2.1
145.04961	4.4
150.07742	2.8
158.99641	4.0
162.04121	62.0
182.99637	3.4
201.00745	3.5
219.01768	6.1
230.05797	2.0
237.02765	3.0
239.15181	2.5
251.02228	2.6
281.09946	51.9
413.14072	4.1
413.20285	12.2
413.25186	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	413.1416
Annotation	t(6)a
Peak:m/z	Relative Intensity
53.17745	0.3
55.05500	1.1
56.05045	0.7
56.96566	0.6
57.03444	0.6
57.23087	0.3
61.02927	0.5
69.03427	1.5
69.07059	0.4
69.70081	1.7
70.06587	1.0
73.02924	0.5
74.06078	3.2
81.03411	0.3
83.08625	2.4
85.02905	2.8
87.04440	0.3
91.14597	0.3
92.18610	0.3
93.07050	0.3
97.02888	1.1
98.21443	0.4
98.97575	1.4
101.09657	1.7
102.05552	1.3
109.02917	0.4
115.03981	0.3
119.03542	2.5
119.10683	0.5
120.06576	8.6
124.88382	0.3
127.03893	0.5
129.44890	0.3
133.04962	0.4
136.06184	100.0
137.04581	1.2
162.04112	60.6
177.00743	0.3
251.02226	0.3
268.10355	0.9
281.09924	60.3
282.10309	0.5
413.13861	0.7
413.19861	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.7
61.02919	2.3
64.79686	1.2
69.03428	3.6
70.06586	2.4
71.55567	1.2
73.02916	1.2
81.03419	2.1
81.50741	1.4
85.02900	9.5
86.50319	1.0
97.02893	6.8
98.97597	4.0
101.00899	7.4
112.62227	1.1
113.00867	1.2
116.98586	1.9
119.01917	12.7
127.03946	1.7
131.01927	4.9
137.05988	2.6
143.01938	5.5
145.03500	5.9
145.04660	1.0
151.03905	17.5
155.01865	10.5
157.03487	3.1
161.02942	14.2
167.01942	1.7
168.02786	1.4
173.02979	7.8
179.01938	1.2
185.02963	7.9
187.04663	1.4
191.02138	1.6
195.01372	1.3
197.02962	12.1
203.04074	4.5
205.04755	12.0
209.02988	3.5
221.05098	2.7
223.04955	1.5
227.03978	4.7
233.03036	3.6
237.02631	1.5
245.03030	1.4
245.05104	32.8
245.07494	2.2
251.04018	3.7
251.08958	7.3
263.06201	6.5
269.05090	9.4
275.04010	1.3
276.12485	2.1
287.06418	2.4
290.02618	1.4
293.05096	4.9
295.06573	1.7
305.05109	15.5
305.14914	2.1
311.06180	2.7
312.96173	1.2
323.06223	2.1
353.07184	30.0
353.11365	1.9
354.07397	1.3
371.08252	6.7
372.01160	2.0
394.09637	1.2
413.09619	5.2
413.14258	100.0
413.19714	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	412.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
54.38142	0.3
55.05505	0.4
57.03429	0.4
59.32637	0.3
59.66107	0.3
67.05501	0.9
67.97266	0.3
68.05038	0.4
69.03429	2.7
69.07059	0.3
70.06599	2.1
70.87532	0.7
71.04991	4.8
79.05491	0.6
81.07055	0.6
84.04531	0.7
86.06068	41.3
87.04469	28.4
88.07632	13.2
91.05487	0.6
93.07045	0.8
95.08607	0.7
96.08134	0.4
97.06539	2.8
98.06057	3.3
98.06739	0.6
98.97601	0.4
100.07610	3.1
104.07125	0.4
105.07080	0.3
110.09692	3.0
114.05545	0.4
119.08578	0.7
135.04379	0.5
137.05965	0.4
138.09155	4.0
156.10202	63.0
163.03938	0.5
173.02359	0.6
174.11258	100.0
175.11646	0.6
215.07013	0.9
217.44655	0.3
258.17038	0.4
259.09668	1.4
260.10080	0.4
261.10226	0.8
288.18076	0.4
291.19485	2.4
314.19498	0.8
333.06573	0.6
346.56842	0.4
394.25931	0.4
412.26947	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	412.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42086	0.3
53.03943	0.6
55.01863	0.7
55.05509	2.4
56.05036	2.2
56.96540	0.5
57.03433	0.6
67.05507	10.4
68.05005	0.9
69.03423	3.0
69.07076	3.0
70.06596	4.5
70.36503	0.8
70.36882	0.7
71.04959	1.1
79.05490	2.0
81.03400	0.8
81.07047	2.8
82.68479	0.4
83.08585	1.3
84.04475	0.6
84.08147	0.7
85.02892	0.4
86.06068	19.6
87.04470	17.0
88.07606	1.5
91.04990	0.4
91.05482	6.9
93.07043	3.9
95.04955	0.9
95.08602	3.9
96.08124	2.1
97.06531	4.8
97.10130	1.3
98.06055	16.6
98.21515	0.4
100.07607	0.5
104.07061	0.5
105.07024	0.9
107.08563	1.6
109.09476	0.5
109.10165	7.1
110.09687	0.6
112.07600	3.4
114.05444	0.5
116.07066	0.5
117.06870	0.4
119.08580	12.8
123.00790	0.5
123.08053	0.6
123.11577	0.3
124.06721	0.5
124.07594	8.8
125.09654	1.0
126.05460	0.6
129.67300	0.4
130.08640	0.8
131.08527	0.4
137.06006	0.7
137.09615	30.8
138.05507	0.6
140.10527	0.4
144.42149	0.4
154.12273	5.1
156.09003	0.6
156.10202	6.5
163.03874	1.5
163.11182	0.4
172.13333	2.5
173.02303	1.2
174.11261	11.4
193.12241	0.6
204.13861	1.3
206.36308	0.3
208.13300	0.6
208.99615	0.5
211.13266	2.8
215.07063	1.6
222.14908	10.7
226.14368	3.5
233.11717	0.6
240.15787	0.6
258.17017	100.0
259.09747	2.5
259.17374	0.7
260.09879	0.9
261.10284	1.3
264.15955	0.7
291.19400	0.7
300.17926	1.6
314.19748	0.9
333.06668	0.7
351.07272	0.6
386.93558	0.4
394.25903	1.3
412.26947	29.6
415.52899	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.1
56.05042	1.4
57.03444	10.9
58.06581	1.9
59.04981	3.4
60.04511	1.7
60.07930	1.2
60.08164	15.9
61.02916	2.6
67.05499	7.3
69.03432	42.3
69.07074	2.6
69.38245	9.8
71.04970	2.9
71.07362	4.3
73.02903	2.5
79.05505	1.5
81.03410	2.9
81.07063	1.4
83.08626	3.1
85.02911	46.5
86.09710	40.8
87.04471	33.1
90.03780	1.8
91.03949	1.3
91.05496	2.0
93.07040	2.0
95.04955	1.4
95.08609	2.4
97.02891	40.3
97.06535	2.8
98.97563	1.8
98.98492	2.7
99.04459	2.0
104.10748	100.0
105.07035	2.1
107.08572	1.7
109.02900	2.5
109.10162	8.5
111.08073	1.8
112.50090	1.1
115.03937	55.3
123.04433	1.7
125.00019	20.9
127.03939	9.6
129.12692	1.4
133.04968	59.7
133.10121	3.7
134.10449	2.0
137.05963	2.4
139.07558	1.3
141.09100	1.9
145.04968	14.0
150.07619	8.0
152.05699	1.3
163.06003	4.6
163.07314	1.3
167.10661	3.4
169.04999	1.4
173.13245	1.2
179.10698	1.3
184.07347	80.1
192.03619	1.1
197.11691	1.5
197.97729	1.2
203.05287	10.8
204.05618	5.8
215.12770	2.3
227.12698	1.6
229.14482	1.5
231.05060	1.4
235.09709	3.7
241.07059	1.6
258.11124	1.5
259.08173	3.0
263.14825	2.4
277.10876	2.1
295.10303	2.8
318.16986	1.5
321.54910	1.2
333.45486	1.4
394.19733	6.3
412.20667	59.7
433.13538	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01873	1.2
55.05502	3.2
57.03437	14.6
58.06601	0.9
59.05003	2.3
60.04533	1.5
60.07879	1.3
60.08165	14.5
61.02913	3.0
67.05515	8.6
69.03431	43.1
69.07059	2.2
69.45978	1.7
69.46398	5.9
71.04977	2.0
71.07359	5.0
72.08109	1.3
73.02901	3.0
78.51141	1.0
79.05472	2.0
81.03441	4.6
81.07062	2.1
83.08618	4.0
85.02907	53.7
86.09707	48.3
87.04472	32.9
91.03948	2.1
91.05447	2.0
93.07036	1.4
95.08598	1.8
97.02893	41.2
97.06514	2.4
98.98476	2.1
99.04459	3.1
104.10744	100.0
109.02869	3.3
109.06459	1.2
109.10154	6.5
111.08073	1.3
115.03931	53.2
123.04451	1.2
125.00010	25.8
127.03915	9.1
129.12726	1.2
133.04962	52.4
133.10176	1.4
135.08034	1.8
137.05997	1.7
137.08351	1.0
139.03903	1.1
139.07550	1.6
145.04971	15.9
147.11861	1.0
149.02341	1.1
150.07593	6.1
152.05725	1.6
155.10649	1.1
163.01636	1.1
163.06041	6.5
163.07263	1.1
167.10696	3.3
169.04906	1.2
173.11734	1.0
175.06287	0.9
177.05443	1.3
184.07338	86.8
189.09195	1.9
191.06914	2.3
197.11702	1.8
203.05321	3.0
204.05598	3.2
204.92505	1.1
227.12677	1.4
229.14410	3.5
235.09708	2.3
241.07123	2.7
245.13837	1.8
250.01862	1.7
259.08060	2.5
261.76303	1.3
263.14999	2.6
268.09763	1.0
277.10617	2.9
295.10291	2.4
371.13193	1.2
394.19861	7.0
412.20840	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	412.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.05507	3.4
57.02498	1.4
57.03439	21.0
59.04996	4.3
61.02914	5.7
69.03431	66.5
70.48803	3.5
70.49213	2.7
71.04990	3.1
73.02902	4.0
78.55185	1.4
79.05498	1.9
81.03413	4.7
83.04967	1.4
83.08607	4.0
83.35775	1.3
85.02905	100.0
85.67391	1.3
87.04469	51.3
91.03947	4.4
95.04957	2.3
95.08598	4.4
97.02891	63.6
97.03522	3.1
97.06549	1.7
98.20852	1.6
98.97580	3.4
99.04449	4.3
99.08051	1.9
105.07036	1.7
109.02914	4.9
111.04498	1.8
113.08044	1.5
115.03932	79.7
127.03915	22.9
133.04968	96.8
145.04962	52.0
150.07637	10.2
158.99716	1.6
162.06139	1.5
163.06015	25.5
169.05095	3.5
184.07285	3.9
215.12799	3.9
219.01750	1.7
222.39844	1.7
233.13753	3.6
241.07085	3.5
259.08163	4.9
262.89063	1.4
263.14935	11.0
277.09155	3.4
295.10263	8.1
345.06119	1.6
385.46680	1.8
412.20282	41.9
413.17941	2.4
433.14066	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	412.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.5
56.05008	0.6
56.96558	0.5
57.03410	0.8
58.06592	0.4
60.08165	6.3
67.05505	3.1
68.79163	0.2
69.03419	0.6
69.07037	0.4
70.06573	1.0
71.07369	2.2
71.40274	0.4
79.05479	0.4
80.27833	0.2
81.07033	1.0
83.04966	0.4
83.08604	1.0
85.02888	0.8
86.09707	30.1
89.03901	1.2
91.05453	0.4
93.06987	0.3
95.04985	0.4
95.08621	1.5
97.02877	0.4
97.06516	1.0
98.97600	1.6
98.98467	2.0
104.10743	7.2
105.07050	0.3
107.04925	0.2
107.08572	0.3
109.10169	2.9
110.53610	0.2
115.03893	0.5
116.98599	0.6
117.03374	2.1
118.13612	0.3
119.08545	0.3
123.04461	0.3
125.00006	20.0
127.03876	0.4
128.98633	0.3
133.04958	0.4
133.06508	0.3
134.67355	0.3
136.04222	0.4
137.05951	0.4
145.02838	3.0
146.03215	0.3
147.04388	0.3
149.05954	0.8
152.05650	0.5
153.09122	0.3
158.99710	0.4
163.07518	0.5
169.01318	0.3
173.11748	0.7
175.07574	0.4
177.05466	5.9
177.06900	0.5
184.07341	100.0
187.07578	0.3
189.05453	0.4
189.09125	0.6
191.06993	0.5
198.14969	0.4
215.12856	1.2
219.01764	0.6
229.14424	0.7
235.09673	0.3
237.02916	0.4
265.11099	0.4
277.10727	1.1
283.12183	0.3
292.14722	0.5
307.12125	0.6
346.55121	0.3
351.12549	0.5
358.61044	0.3
394.19342	1.4
412.20724	13.7
427.16589	0.6
428.17282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69285	0.6
69.03408	0.6
72.71308	0.5
74.02259	0.4
74.41180	0.5
86.09688	0.7
91.05486	0.6
93.06992	1.0
97.06465	0.6
104.10741	1.1
107.08559	0.7
110.97479	0.6
121.10157	0.9
126.84302	0.6
133.10109	2.8
166.64984	0.5
173.53008	0.5
184.07339	1.5
203.05263	72.7
219.93103	0.5
227.56056	0.6
266.34793	0.5
301.09482	0.6
411.19891	100.0
412.20462	2.2
433.13934	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3621
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03946	2.3
55.05510	10.6
57.03431	0.7
57.07074	2.3
59.04986	1.2
65.03933	1.0
67.05504	20.2
67.72633	0.7
69.07069	15.9
71.04979	0.8
71.08630	1.4
71.31828	0.9
79.05492	13.9
81.07053	44.9
83.08609	7.3
85.06493	0.8
89.31862	0.8
91.05478	11.4
93.07043	44.2
95.04955	1.0
95.08607	100.0
97.06538	1.1
97.09623	0.9
97.10156	4.7
99.08117	1.3
102.20121	0.7
105.07032	25.0
107.08595	73.4
109.06519	1.1
109.10156	40.3
111.08102	1.6
111.11707	1.4
115.15307	0.7
117.07004	2.0
117.51721	0.7
119.06117	1.1
119.08584	34.9
121.10146	51.5
123.08080	1.8
123.11702	13.5
125.09653	1.0
129.07059	0.9
131.08562	5.1
133.10132	25.3
135.11702	31.7
137.09599	0.9
137.13263	5.2
139.11160	0.8
140.48177	0.7
143.08557	1.2
144.09317	0.8
145.10143	8.1
147.11690	18.6
147.12804	1.4
149.13257	30.4
151.11229	1.2
151.14844	2.0
157.10114	1.6
159.11699	8.9
161.11977	1.4
161.13272	20.4
163.14822	68.1
165.12798	2.2
165.16414	1.5
171.11620	1.3
173.13274	6.2
175.14818	23.1
177.12808	2.6
177.14827	1.0
177.16379	20.5
177.17836	1.4
179.14284	6.2
185.13309	1.2
187.14792	10.8
189.16376	27.4
191.14265	1.5
191.17943	18.1
199.14803	0.9
201.16411	6.7
203.17955	34.1
205.15823	2.8
205.19508	6.1
207.17439	8.0
213.16396	2.1
215.17944	5.3
217.19522	7.2
219.17513	1.8
219.21112	1.5
221.18919	0.9
225.16306	0.7
227.17963	2.5
229.19554	3.0
231.21089	14.6
233.19064	5.4
233.22659	1.5
241.19528	1.8
243.21130	1.9
245.22589	1.0
247.20583	0.9
247.24234	1.0
255.21069	1.7
257.22684	1.6
261.22070	1.0
269.22690	1.8
273.22144	0.8
274.17145	0.7
284.11993	0.8
297.25760	14.7
315.26816	7.1
319.77634	0.8
323.27359	1.5
341.28378	3.3
393.35144	11.9
411.36246	87.2
412.36508	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95617	0.6
55.05500	0.8
57.03444	0.8
67.05489	1.4
69.03388	2.3
70.06573	1.1
71.43681	1.3
76.13065	0.6
79.05479	1.3
81.03391	1.7
81.07023	1.0
83.04980	0.7
85.02867	2.5
89.92403	0.6
91.05470	0.9
94.24133	0.6
95.04945	1.1
95.08578	1.4
97.02843	1.0
97.06505	0.9
98.97576	1.0
100.11212	1.1
101.00801	1.0
105.07018	1.2
107.08597	1.4
116.10688	1.0
119.08505	0.9
124.99922	1.0
127.03917	0.8
131.08524	1.2
135.08009	0.8
145.10042	0.8
147.11682	0.7
163.03932	0.8
165.12602	0.8
167.08524	0.7
184.07289	1.9
189.09013	1.1
191.08133	1.5
201.03683	9.0
203.05280	36.2
207.08575	0.9
213.08986	1.1
231.09798	4.2
233.11391	2.9
234.99054	0.8
249.09630	3.9
259.09583	0.6
265.07364	0.8
267.10843	3.5
277.10724	3.7
291.10779	6.6
309.11847	5.3
325.13629	1.1
332.13391	0.7
351.12488	1.1
356.16788	0.7
367.17023	2.3
411.15915	100.0
412.16336	1.2
435.76379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
71.47970	0.7
74.30979	0.3
78.67943	0.3
110.72523	0.3
115.09607	0.3
143.01895	0.6
150.80365	0.3
189.07649	0.4
207.08679	0.9
222.42662	0.3
227.19733	0.3
231.08685	0.4
237.09763	0.3
249.09442	2.7
255.10867	0.4
267.10779	4.9
285.11996	0.4
291.10651	1.6
309.11981	1.5
347.26068	0.3
411.16223	100.0
412.16513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47410	1.1
54.72401	1.1
55.01863	3.8
55.05510	6.8
55.39108	1.0
57.03439	1.9
65.03957	1.3
67.05499	8.4
69.03436	1.9
69.07061	8.6
69.49583	1.6
69.49982	6.8
71.04996	3.2
78.53925	1.1
79.05499	23.0
81.03416	17.1
81.07057	17.6
83.04976	3.1
83.08621	8.1
85.06519	3.2
87.54337	1.2
91.05486	22.9
93.07050	19.7
95.04961	8.4
95.08598	5.0
97.06532	26.7
97.10197	2.0
105.07040	15.1
105.07712	2.1
107.04942	6.8
107.08593	19.1
109.06512	3.5
109.10159	3.6
111.08052	4.0
117.03403	1.2
117.07005	3.1
119.04943	7.6
119.08586	8.1
121.06496	3.7
121.10142	9.8
122.80692	1.4
123.04465	7.9
123.08066	2.0
125.09624	2.0
128.55823	1.1
129.07001	4.8
131.04907	1.7
131.08554	9.7
133.06477	10.6
133.10173	7.3
135.04407	12.7
137.05978	33.3
145.02824	2.2
145.06451	2.9
145.10065	1.4
145.21794	1.1
147.04422	17.1
147.08034	4.7
147.11649	5.2
149.02316	2.5
149.05998	8.2
149.09624	15.8
157.06482	3.4
157.10115	6.0
159.08020	2.0
161.02351	3.2
161.05980	36.1
163.03935	13.1
163.07552	4.5
164.07111	1.6
169.06555	1.3
171.08043	3.8
173.02339	8.1
173.05978	8.1
174.06731	1.5
175.07559	11.5
175.11203	7.4
177.09158	1.6
183.07976	1.4
185.06015	1.4
187.07553	16.6
188.08464	1.3
189.09122	9.7
193.04916	2.7
193.12233	16.0
197.09593	1.7
199.07646	5.7
200.20079	2.1
201.09154	8.7
203.10742	1.5
207.13799	2.2
209.09657	2.2
213.09099	2.2
215.07040	10.6
215.10620	2.4
225.12747	2.0
225.14836	6.6
227.10602	1.6
237.07516	1.5
257.15350	2.5
259.09671	36.6
267.13831	3.5
285.14835	15.4
299.16391	4.5
311.16342	8.1
317.17487	14.7
329.17487	7.8
331.19028	4.7
334.20132	42.6
343.19016	24.4
345.20438	1.2
360.21600	5.1
361.20038	11.1
375.21655	9.5
378.22769	18.8
392.24310	100.0
393.24600	2.7
410.16199	1.8
410.25513	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	409.3828
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05503	12.5
57.07056	8.8
67.05487	24.5
68.57549	5.3
69.07073	44.9
69.70934	34.7
72.69531	4.9
79.05491	13.2
81.07065	87.1
83.07568	6.1
83.08596	16.2
91.05483	9.8
92.95725	5.3
93.07043	25.4
95.08047	9.2
95.08606	100.0
97.19857	5.0
98.21462	10.5
105.07008	15.4
105.43664	5.6
107.08611	30.3
108.45849	5.3
108.57121	4.9
109.10168	47.3
119.08566	23.1
121.10171	35.9
123.11723	28.0
123.85133	5.4
127.30013	5.1
133.10100	22.4
135.11678	32.6
137.13269	41.5
145.10130	8.8
147.11699	18.8
149.13315	29.6
149.24326	5.7
157.10210	5.0
157.87018	5.4
159.11693	13.3
161.13263	17.0
163.14822	11.0
172.78249	5.1
173.13214	6.9
175.14877	10.7
177.16376	18.6
184.06645	5.2
187.14825	7.5
189.16370	15.0
191.18018	7.1
203.17987	6.4
205.19550	9.4
206.69772	5.3
215.17886	6.6
217.19441	10.8
229.19537	9.8
231.21042	16.0
257.22577	7.5
259.24191	13.9
271.24194	12.1
285.25729	6.3
400.73834	5.8
409.38449	95.9
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
53.03947	1.5
55.05508	8.6
57.07069	2.1
59.04999	1.0
60.07210	0.7
61.83957	0.7
64.07093	0.7
65.03934	2.1
67.05505	22.9
69.06718	1.2
69.07070	14.8
71.56841	1.2
79.05062	1.6
79.05495	24.0
80.05836	0.8
81.07061	30.0
83.05016	1.6
83.08626	9.1
91.05479	14.4
93.07047	29.5
95.04964	2.3
95.08610	80.1
96.08976	1.0
97.06522	1.4
97.10168	3.0
105.06313	1.0
105.07034	24.8
107.08597	100.0
109.06486	1.5
109.10159	39.7
111.08081	1.0
117.07037	4.6
119.06131	1.1
119.08586	30.7
121.06500	2.7
121.10153	46.3
123.08075	2.1
123.11719	9.9
129.06953	2.1
131.08592	6.5
133.06525	1.4
133.10135	28.4
135.08073	5.3
135.11696	22.2
137.09628	2.0
137.13277	3.3
139.11128	0.9
142.07797	1.3
143.08559	4.4
144.09344	1.4
145.10127	19.4
147.08049	1.4
147.11691	15.9
149.09622	3.2
149.13260	23.4
149.14368	1.7
151.11229	1.1
151.14886	1.2
157.10146	4.4
158.10947	1.5
159.11713	11.6
161.09659	2.6
161.13264	12.2
162.10445	0.9
163.11198	13.6
163.14816	14.5
163.16098	1.2
165.12756	0.8
165.16434	1.3
169.10136	2.3
171.11700	4.3
172.12477	1.3
173.13280	6.4
175.11200	2.3
175.14836	27.1
177.12848	4.6
177.16386	42.1
183.11687	1.9
185.13269	4.0
187.14824	17.2
189.12790	1.2
189.16377	14.1
191.14331	1.4
191.17982	8.1
194.65076	0.9
197.13268	1.7
199.14874	4.1
201.16370	7.2
203.14369	4.1
203.17958	37.8
205.15884	84.8
205.19522	3.1
207.17436	1.9
211.14816	2.2
213.16386	4.3
215.17934	6.4
217.15898	2.2
217.19511	2.3
219.17453	4.0
221.15312	1.9
225.16380	1.5
227.17970	1.8
229.19492	2.8
231.17461	2.0
239.18019	2.4
241.19510	2.5
243.17561	1.6
243.21051	1.8
245.19017	1.9
253.19583	1.7
255.21059	2.5
259.20621	1.1
269.22736	1.0
271.20450	2.4
283.24280	1.3
285.25763	12.9
291.19501	1.2
295.24210	19.8
309.20654	1.3
311.27435	1.6
313.25226	27.5
339.26816	5.6
344.86349	0.9
381.35266	1.6
391.23206	1.1
391.33603	7.3
409.26498	3.0
409.34668	59.4
409.61563	0.9
410.34897	0.9
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
51.02361	2.9
53.03928	2.7
55.05515	23.0
57.07056	8.1
67.05508	27.9
69.07069	28.6
69.86880	12.8
71.05005	20.4
71.08613	5.9
71.22887	2.6
79.05476	17.4
81.07059	74.7
83.08619	14.2
85.06534	6.1
86.09704	6.7
89.06033	8.2
91.05466	19.5
92.22131	2.6
92.61427	2.5
93.07048	69.9
95.04989	4.8
95.08615	92.0
96.32510	2.5
97.06541	3.3
97.10191	15.5
98.67757	2.2
99.08097	2.5
105.06384	4.3
105.07037	46.4
107.08604	64.2
108.30979	2.6
109.06525	6.5
109.10159	59.2
111.08079	14.0
111.11708	5.0
113.09638	6.4
114.33755	2.3
117.07057	4.6
119.07793	4.3
119.08584	53.0
121.10153	59.7
123.11705	24.7
125.85728	2.7
129.06990	3.1
131.08586	16.8
133.10147	33.0
135.11691	34.4
137.09619	6.3
137.13242	7.3
143.08612	4.3
143.65147	2.9
144.00394	2.9
145.10133	26.1
147.11700	34.2
149.09554	5.3
149.13266	56.4
151.11159	3.1
157.10149	12.7
158.00273	2.7
159.11720	40.7
161.13263	32.4
163.14835	23.3
169.10175	2.7
171.11603	12.4
173.13342	19.1
175.14818	22.2
177.16412	10.4
183.11603	3.6
185.13266	8.1
187.14864	16.8
189.16402	15.6
191.17955	13.2
195.12199	4.6
196.12666	3.2
197.13246	4.0
199.14807	9.3
201.16396	11.3
203.17949	13.3
205.15944	2.5
211.14810	5.6
213.16437	10.8
215.17986	10.1
217.19533	22.8
225.16454	3.1
227.17943	11.4
229.19618	13.9
231.20972	5.5
235.30254	3.3
241.19586	6.0
243.21103	4.8
255.21225	8.8
257.22607	7.4
259.24277	10.6
269.22745	5.6
281.22757	4.4
283.24197	3.2
295.24289	5.6
325.28928	6.5
351.30563	13.4
391.33487	19.7
409.26697	6.4
409.34708	100.0
409.40198	4.9
432.92468	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.8
55.05510	19.2
57.07075	5.6
59.05029	3.0
59.33786	2.1
59.78211	2.1
67.05505	35.5
69.07066	17.7
69.22694	19.8
71.04993	18.7
71.08630	2.3
79.05494	23.4
81.07059	97.0
83.08620	11.8
85.06537	4.4
89.06030	3.6
91.05471	28.4
93.07046	99.5
95.04972	6.2
95.08610	100.0
97.10186	9.4
103.05482	2.8
105.07032	70.2
107.08595	75.7
109.06517	9.5
109.10160	63.3
111.08089	17.8
111.11734	5.3
113.00033	2.6
113.09650	5.8
117.07037	7.9
119.08587	99.3
121.09319	4.6
121.10149	71.3
123.08045	5.0
123.11711	32.3
131.08556	18.3
133.08618	2.2
133.10132	36.4
135.11699	44.3
137.09624	8.3
137.13310	6.9
139.11188	2.0
143.08582	6.9
144.09366	2.3
145.10138	30.8
147.11699	38.2
149.09692	3.9
149.13264	74.5
151.11165	5.7
151.14842	4.5
153.12735	3.2
157.10115	14.1
157.90291	2.1
159.11690	39.0
161.13269	37.2
163.14825	25.6
165.12769	4.4
169.10184	5.2
171.11650	10.8
172.12560	2.1
173.13275	24.9
175.14832	22.0
177.12813	6.5
177.16426	9.2
179.14388	3.6
183.11700	3.5
185.13280	8.4
187.14830	17.7
189.16373	24.3
191.17992	9.9
195.10371	2.0
195.12256	4.8
196.12621	3.5
197.13412	3.0
199.14819	6.8
201.16377	13.5
203.17941	17.1
205.15849	2.5
207.17497	2.3
211.14883	4.7
212.46518	2.1
213.16406	11.1
215.17946	15.4
217.19530	33.3
227.17896	9.6
229.19620	12.2
231.21082	16.2
241.19595	7.8
243.21156	7.2
245.18912	2.1
255.21152	9.1
257.22662	12.4
259.20810	2.8
259.24252	15.3
267.20969	3.4
269.22635	4.7
279.21643	2.3
281.22549	3.1
283.24353	3.2
295.24316	4.7
325.29034	3.4
326.98148	2.1
327.26801	2.8
351.26587	3.2
351.30457	20.2
383.45706	2.0
391.33554	25.8
407.87454	2.2
409.34692	92.2
410.35129	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	409.2739
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03938	7.3
55.05517	18.0
57.07064	10.2
59.52136	2.0
65.03941	4.2
67.05509	25.8
69.03432	9.8
69.07063	10.4
71.04984	3.7
74.81854	2.4
79.05497	30.5
81.07062	46.8
83.04973	7.5
83.08626	2.9
85.06544	3.5
86.06046	2.4
91.05483	45.4
92.69128	2.2
93.07051	61.5
95.04977	58.2
95.08612	30.8
96.08118	2.8
97.06537	12.2
103.05443	3.9
105.07041	100.0
107.04988	2.7
107.08600	33.5
109.06520	13.9
109.10152	10.6
111.08046	2.6
113.09690	2.4
115.05437	4.6
117.07063	15.2
119.08583	70.1
121.06509	16.9
121.10146	19.2
123.08067	18.2
123.11697	2.8
125.05918	2.7
125.09686	2.8
128.06178	3.3
129.07008	10.2
130.07774	4.9
131.08585	29.7
132.09299	3.7
133.06480	3.6
133.10141	29.2
135.08087	12.9
135.11713	4.4
137.09615	8.9
141.06975	7.4
142.07794	12.2
143.08559	24.8
144.09363	5.1
145.10127	40.7
147.08072	19.0
147.11699	42.6
149.09645	11.4
151.07574	19.6
153.07053	2.8
154.07732	2.4
155.08582	8.9
155.10725	3.8
156.09224	4.4
156.10370	4.1
157.10130	27.8
158.81334	2.4
159.08069	6.7
159.11713	17.9
161.09657	8.8
161.13272	4.0
163.11197	6.4
165.09134	34.6
167.08516	4.8
168.09399	3.7
169.10127	8.7
170.10909	3.9
171.11710	15.5
173.09625	5.8
173.13263	8.7
175.11217	24.9
177.09132	3.3
181.10139	6.9
181.12280	2.7
182.10971	4.5
183.11656	13.6
185.13263	5.4
186.92195	2.5
187.11229	4.8
187.14775	3.5
189.12764	8.8
191.14372	3.2
195.11647	7.3
195.13406	2.4
196.12518	4.2
197.13272	6.2
199.11316	2.4
201.12769	10.2
201.16324	3.0
203.14323	17.0
207.11859	3.7
207.13812	7.5
209.13345	7.2
209.15320	5.5
211.11183	3.5
211.14832	7.8
213.12799	3.1
219.11636	2.5
221.13521	3.3
221.15385	80.2
223.14948	3.7
227.14388	2.6
229.15891	5.6
233.15486	2.4
234.16197	13.3
249.16391	2.5
253.15883	3.0
267.17523	2.8
286.19363	3.0
287.20096	9.9
300.20731	4.3
312.20334	2.4
329.21216	4.8
347.36023	2.4
391.26392	7.0
409.27451	64.1
409.33533	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.0
55.01871	3.0
55.05515	19.0
57.03444	2.6
57.07059	6.1
59.05009	2.3
60.66909	2.1
61.41560	2.3
67.05512	18.5
69.03429	6.8
69.07051	10.1
71.04998	2.5
71.56869	2.6
73.19090	2.3
79.05502	20.9
81.07061	39.3
83.04984	7.9
83.08600	6.6
85.06542	5.5
91.05480	36.9
93.07050	52.2
95.04974	50.6
95.08608	42.1
97.06529	8.6
99.04477	2.2
105.07037	100.0
107.08606	34.4
109.06522	14.2
109.10148	16.4
111.08099	3.1
115.05492	4.0
117.07049	14.8
119.08585	66.8
121.06509	20.3
121.10154	17.8
123.08058	21.5
123.11687	4.1
125.06043	2.8
128.06215	7.4
129.07016	9.0
130.07739	6.5
131.08585	28.2
133.06470	5.9
133.10139	26.9
135.04434	5.2
135.08063	14.2
135.11682	7.6
137.09601	11.4
141.07011	5.8
142.07780	12.1
143.08553	17.3
144.09283	2.3
145.10129	37.7
146.10910	2.8
147.08080	16.7
147.11702	40.3
149.09633	11.6
149.13203	2.4
151.07536	18.8
155.08578	10.4
157.10132	25.4
159.08084	6.1
159.11693	19.9
160.08804	4.0
161.09651	16.2
161.13277	5.7
163.11172	3.7
165.09114	35.1
168.09317	3.6
169.10153	9.9
170.10930	3.9
171.11626	11.1
173.09621	7.0
173.13286	9.9
175.11165	24.9
175.14763	3.2
177.09100	4.4
181.10139	7.8
181.12357	4.4
182.10947	4.3
183.11690	14.3
185.13205	5.8
187.11221	4.1
187.14856	9.1
189.12749	7.8
189.16357	4.1
191.14384	3.8
191.17976	3.7
192.00133	2.3
195.11722	6.9
197.13281	7.1
199.11172	4.1
199.14821	5.1
201.12787	8.6
201.16409	5.8
203.14381	11.0
203.17989	3.6
207.11806	4.3
207.13828	7.9
209.13347	3.2
209.15390	6.9
211.14864	4.4
213.12729	3.4
215.14334	2.5
219.13609	3.0
221.13161	4.2
221.15363	79.0
223.14867	3.0
229.15909	5.2
234.16162	11.3
253.15875	3.7
258.07935	2.3
281.19061	2.9
286.19269	3.3
287.20157	7.3
300.21017	4.5
311.16489	6.4
391.26221	8.8
409.27393	64.9
409.34503	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2735
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
51.30564	2.6
53.03937	6.2
55.05503	17.3
57.04711	3.0
57.07076	7.6
61.58252	2.5
62.32011	2.7
65.03931	3.4
67.05511	21.4
69.03434	9.5
69.07067	10.2
70.95576	4.6
70.95899	5.3
79.05494	27.7
81.07051	33.7
83.04981	4.5
87.46109	2.8
91.05484	39.8
93.07046	50.1
95.04965	52.7
95.08598	28.9
97.06516	17.2
98.97588	13.1
100.51183	3.2
103.05485	4.3
105.06308	4.9
105.07025	100.0
107.04938	3.7
107.08596	33.5
109.06528	10.7
109.10159	21.8
111.08119	4.2
116.98622	5.8
117.07008	9.9
119.08578	62.0
121.06508	15.3
121.10146	20.2
123.08069	21.7
128.06244	6.4
129.07021	10.8
130.07747	3.9
131.08574	26.2
131.49962	3.1
133.06525	5.8
133.10123	21.4
135.08084	11.8
135.11690	4.3
137.09612	11.0
141.07005	6.3
142.07779	9.9
143.08591	22.4
144.09364	5.5
145.10123	43.0
147.08057	13.3
147.11687	36.9
149.09616	13.4
150.64771	3.1
151.07552	21.3
153.09016	4.1
155.08516	7.6
156.10291	3.6
157.10120	25.5
158.51595	3.2
159.08058	7.1
159.11664	17.5
161.09662	7.5
161.13312	4.7
163.11235	9.0
165.07014	4.7
165.09111	28.0
167.08493	5.0
169.10182	14.4
171.11668	13.1
173.09633	5.9
173.13269	10.6
175.11180	19.9
177.09113	3.3
181.10184	4.8
183.11678	15.3
185.09732	3.8
185.13342	9.2
187.11206	5.1
187.14836	3.7
189.12793	7.9
193.10080	3.8
195.11638	6.2
196.12457	3.6
197.13185	5.5
201.12888	7.4
203.14291	11.2
207.13872	8.5
209.13298	6.5
209.15352	8.5
211.14842	8.9
213.16454	3.9
219.13867	4.8
221.13341	3.2
221.15346	73.8
227.14218	3.7
229.15891	4.7
234.16164	12.5
241.15895	5.7
249.16188	3.9
253.15884	4.5
269.19104	3.3
286.19150	3.5
287.20105	7.4
300.20862	4.7
317.21146	4.0
321.47238	3.1
329.21301	5.4
391.20398	18.3
391.26273	10.3
409.21841	5.0
409.27280	79.2
409.32385	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.7
55.05309	1.7
55.05511	19.3
55.07277	1.7
57.07070	4.0
58.04476	2.0
65.03934	2.9
65.12650	2.0
67.05502	16.0
69.03441	9.0
69.07060	7.8
71.04967	2.3
76.12470	1.9
79.05495	22.9
81.07056	30.7
83.04977	5.4
83.08611	2.3
85.06519	3.7
91.05488	30.6
93.07042	39.6
95.04974	46.1
95.08611	23.4
96.08130	4.6
97.06551	9.5
98.21561	3.4
98.97574	3.8
105.07034	100.0
107.04913	2.2
107.08597	23.2
109.06553	12.6
109.10142	8.5
111.08090	3.6
115.05437	3.5
117.07006	13.0
119.08585	66.3
121.06522	16.7
121.10143	14.0
123.08099	12.5
124.31870	1.9
128.06223	4.3
129.06979	7.2
130.07796	4.3
131.08565	22.2
132.09413	2.6
133.06483	4.7
133.10126	21.7
135.08037	10.6
135.11688	3.9
137.09654	5.6
141.06985	3.7
142.07776	15.2
143.08536	14.2
144.09337	3.6
145.10130	38.9
147.08037	15.8
147.11700	41.5
147.89262	1.8
149.09625	9.8
151.07547	14.8
153.09088	2.1
155.08551	6.0
156.10246	3.7
157.10126	23.0
159.08022	6.3
159.11668	15.8
161.09621	6.1
161.10941	2.2
161.13290	4.3
163.11197	4.5
165.09108	26.3
167.08549	3.5
168.09390	3.1
169.10139	9.5
170.10938	2.6
171.11670	7.0
173.09593	5.3
173.13297	6.6
175.11191	37.1
177.09053	3.6
181.10072	4.1
183.08093	1.9
183.11729	10.1
185.13258	6.7
187.11258	3.2
187.14777	2.9
189.12733	4.1
191.14330	2.2
193.10297	3.0
195.11676	3.1
197.13277	5.1
199.11241	3.9
201.12727	9.8
201.16365	2.1
203.14296	10.9
207.11858	2.9
207.13805	7.7
209.13321	4.0
211.14806	4.4
215.14334	1.9
216.15065	2.8
219.13826	4.7
221.15349	65.3
223.14804	2.8
229.15755	5.2
233.15468	3.5
234.16127	19.8
239.14311	2.2
247.43132	1.8
251.17874	2.2
253.16043	2.2
263.17780	1.9
269.19019	2.1
287.20020	5.4
293.06940	2.0
300.20908	4.2
322.98560	2.4
329.21112	3.4
391.26157	7.7
409.27383	51.4
409.33609	3.2
409.34610	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	409.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.8
66.44138	0.3
67.05503	0.6
69.79233	0.8
69.79636	0.6
81.07041	0.6
81.26461	0.3
91.05487	0.5
93.07060	0.7
95.08603	0.6
97.06518	0.4
107.08586	0.5
114.44186	0.3
119.08578	0.4
124.42831	0.3
128.98691	0.3
131.08517	0.3
133.10147	0.4
140.12141	0.3
149.13174	0.3
174.55768	0.3
175.11258	0.3
295.15240	0.5
309.16751	0.9
331.15787	0.5
349.16739	1.2
367.17899	0.7
409.25629	100.0
410.26236	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.1
52.40036	1.9
53.03943	4.7
55.05513	18.9
57.07080	7.7
59.04967	3.1
59.97636	1.8
67.05508	21.6
69.03429	4.7
69.07077	9.1
71.26436	3.9
75.44899	2.0
78.59008	1.8
79.05488	19.8
81.03371	2.2
81.07066	28.6
83.04982	5.6
83.08627	2.2
85.06552	2.8
85.10216	2.0
91.05482	30.6
93.07047	43.1
95.04968	41.8
95.08609	23.7
97.06550	6.3
99.88191	2.0
103.05471	3.4
104.52266	1.7
105.07034	100.0
107.04892	1.9
107.08588	24.6
109.06510	13.3
109.10162	9.5
111.08099	3.1
115.05460	3.1
117.07033	14.5
119.04892	2.3
119.08584	65.2
121.06530	16.4
121.10150	16.7
123.08087	14.9
125.06043	2.7
127.66010	1.6
128.06216	6.5
129.07011	7.2
129.63928	1.8
129.89680	1.8
130.07784	4.2
131.08574	22.5
133.06499	3.6
133.10123	19.8
135.08086	12.6
135.11710	6.3
137.09639	6.7
142.07747	12.9
143.08533	14.0
144.09300	3.7
145.06459	2.3
145.10127	40.4
147.08055	13.4
147.11684	37.7
149.09631	8.9
151.07556	17.1
153.71269	2.0
155.08565	7.5
156.09293	3.6
157.10158	22.4
158.10948	2.0
159.08102	5.8
159.11685	12.5
161.09615	8.4
161.13277	4.1
163.11180	2.5
164.64383	1.7
165.09109	27.9
166.07826	2.1
167.08614	2.1
169.10118	11.1
171.11734	8.4
173.09586	3.6
173.13289	7.1
175.11195	30.9
175.14789	2.4
177.09052	3.1
177.12927	1.9
178.09846	2.5
181.10135	3.4
181.12177	2.8
183.11690	10.8
185.13309	4.0
187.11165	5.4
187.14841	2.3
189.12714	7.7
193.10216	3.4
194.10794	2.0
195.11719	4.2
197.13243	2.3
199.11150	2.5
199.14853	2.8
201.12750	6.9
201.16376	4.1
203.14326	9.3
207.11836	2.7
207.13770	6.2
209.13304	3.3
209.15350	3.3
211.14780	5.3
219.13864	6.9
221.13416	3.1
221.15355	62.2
227.14325	3.2
229.15910	6.2
231.13889	2.7
232.69438	1.9
233.15440	2.6
234.16168	14.6
235.14896	2.8
251.14165	2.3
286.19266	2.0
287.20020	5.9
300.20724	5.7
329.21078	6.5
344.64917	2.1
391.26303	4.0
409.27307	43.2
409.34741	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95267	0.3
55.05509	0.8
56.96564	2.3
57.03456	0.4
59.43348	0.3
67.05509	2.1
69.07058	1.3
71.04972	0.3
71.56916	0.4
79.05505	2.1
81.07056	2.8
82.07449	0.4
86.09705	0.5
91.05485	1.5
93.07050	2.4
93.69074	0.3
95.04952	0.5
95.08610	3.2
97.06522	0.7
97.10167	0.4
105.07053	1.8
107.08594	2.0
109.06570	0.5
109.10148	2.0
110.97593	0.5
111.08092	0.4
111.45531	0.4
117.07005	0.5
119.08607	2.2
121.10153	2.1
123.11744	0.5
131.08557	1.4
133.10139	1.6
135.11714	0.9
143.08556	0.4
145.10162	1.1
147.11687	1.2
149.13264	0.7
157.10141	0.6
159.11702	1.0
161.13234	0.6
163.14772	0.5
170.11784	1.1
171.11945	0.5
173.13347	0.4
175.14839	1.1
177.16426	0.7
181.75777	0.5
183.11655	0.5
187.14854	2.8
189.16393	0.5
191.17914	0.7
197.00464	0.4
199.06432	0.6
199.14857	0.4
201.16351	0.6
203.18011	0.7
213.16422	0.8
215.17824	0.6
217.19554	0.4
219.17464	0.8
231.08943	0.4
243.09113	0.5
251.09576	0.7
255.09073	1.2
267.09183	0.4
269.10709	1.2
273.10129	0.6
278.10669	0.5
285.10040	0.7
287.11459	0.4
309.16537	0.4
331.15729	2.2
349.16885	7.3
367.17914	4.0
368.18317	0.5
372.18311	1.0
390.19382	0.7
409.25623	100.0
410.25900	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.9
56.96574	2.5
67.05490	1.5
69.07060	1.7
71.57022	0.4
77.88529	0.3
79.05493	1.7
81.07040	2.7
83.08612	1.7
90.17831	0.4
91.05480	1.1
93.07047	2.4
95.04957	0.7
95.08609	3.3
105.07026	2.4
107.08588	3.6
108.08881	0.4
109.10162	1.5
110.97552	0.5
117.07012	0.8
119.08604	3.2
121.10143	2.7
122.10536	0.4
123.11673	0.7
131.08563	0.7
133.10152	1.5
135.11716	1.8
140.01801	0.4
145.10138	2.0
147.11702	1.0
149.13271	1.1
159.11685	1.4
160.11926	0.5
161.13295	0.8
163.14838	1.2
171.11674	0.7
173.13326	0.6
175.14821	1.6
177.12830	0.5
177.16431	1.3
185.04944	0.6
187.14928	0.7
199.06454	0.7
201.16388	1.3
202.16695	0.9
203.17966	1.2
205.15900	1.3
206.16232	1.0
211.06355	0.4
217.07407	0.6
221.08595	0.5
251.09534	0.5
255.09068	2.3
267.09048	1.5
269.10684	2.1
269.13440	0.9
273.09927	0.9
285.10159	1.3
287.11844	0.5
295.15161	0.8
309.16599	0.6
331.15796	1.9
336.22137	0.5
349.16858	4.8
367.17923	4.7
372.18491	0.9
386.20212	0.5
390.19760	0.5
409.25626	100.0
409.34448	3.7
410.25949	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	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.4
55.24372	0.3
56.96573	0.6
62.28046	0.3
67.05505	1.1
69.03426	0.6
69.07062	0.7
69.26976	2.1
69.27391	0.7
76.25752	0.3
79.05492	0.6
81.07078	0.6
83.08636	0.3
85.02908	0.8
91.05472	0.5
97.02923	0.5
97.06535	1.9
98.97594	1.1
105.07008	0.4
107.08645	0.3
109.10132	0.9
119.08604	0.5
123.08077	1.0
141.06944	0.3
145.10146	0.3
149.09589	0.3
155.31393	0.3
169.06523	0.4
187.07706	0.4
188.41548	0.4
197.06053	0.4
200.04617	0.4
215.07114	1.0
216.09230	0.5
219.01770	0.6
224.07983	0.5
229.14255	0.3
237.02835	0.5
237.08020	0.3
247.09554	0.6
247.13100	0.6
259.09637	1.4
300.16190	0.3
301.16309	0.8
347.16873	1.9
391.19595	0.6
409.18335	100.0
410.18320	0.8
425.14804	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00028	0.3
53.82814	0.4
55.05499	0.6
56.96565	12.7
57.07058	0.5
67.05182	0.5
67.05508	5.7
69.07070	1.0
69.21539	3.8
71.95265	3.6
74.10316	0.3
79.05491	0.8
80.11465	0.4
81.07060	5.7
83.08613	0.6
91.05458	1.1
93.07069	1.1
95.08610	4.8
98.09188	0.4
98.21554	0.6
98.97585	95.3
105.07055	0.7
107.08589	1.3
109.10175	0.7
116.98620	59.3
119.08541	0.6
121.10133	1.0
123.11729	0.6
131.08531	0.7
133.10129	0.5
134.99663	22.3
135.11702	0.4
140.00194	11.3
145.10124	0.7
153.00699	2.1
158.01262	5.7
166.95998	0.4
176.02312	0.6
181.02837	0.8
182.80231	0.4
204.87912	0.4
335.18945	0.5
349.20325	0.5
359.80219	0.5
391.21548	100.0
392.21884	1.1
409.22565	6.5
409.30817	0.5
432.24252	8.4
433.24261	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.4
55.01879	0.9
55.05495	3.2
56.96558	1.1
57.03434	6.7
57.07065	0.9
58.06598	2.0
63.26414	0.7
66.60458	0.7
67.05502	6.0
68.05009	2.4
69.03122	0.8
69.03431	8.2
69.07063	3.2
70.06593	10.3
71.03725	1.1
71.04996	12.5
71.56422	0.7
72.08154	1.5
73.08423	0.8
79.05499	3.9
81.03411	3.3
81.07059	6.7
82.06566	4.9
83.08597	1.8
85.06549	0.9
86.06071	28.4
91.05477	2.4
93.07040	6.4
95.04960	2.2
95.08600	3.3
96.08136	37.5
97.06535	1.3
97.10182	1.8
98.06055	4.3
98.09691	1.4
99.06824	1.8
100.07611	8.1
105.07025	1.8
107.04945	2.4
107.08583	2.6
108.08131	0.7
109.06522	1.8
109.10147	1.3
110.06040	7.5
110.09666	2.4
111.08010	0.8
119.08585	2.1
120.08108	1.2
121.06522	0.9
121.10140	2.0
123.08031	1.1
124.07600	1.1
131.08548	1.6
131.57890	0.9
133.10095	1.0
135.08049	1.2
135.11676	2.4
136.07584	1.7
136.93156	0.8
138.09132	2.4
149.09596	0.9
149.13275	2.2
154.94180	3.3
156.10207	100.0
159.11655	2.9
172.95262	3.3
173.19258	0.7
177.12762	2.9
187.11147	1.2
209.15408	0.9
227.38058	0.7
228.97932	1.8
277.21628	2.3
285.00412	1.5
288.17291	0.7
300.19550	0.9
311.25739	1.2
332.22238	1.1
333.17169	1.5
334.23837	2.9
351.18341	1.6
351.87982	0.8
362.23218	18.9
390.26877	0.9
408.27463	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06263	0.2
51.29623	0.2
56.96559	0.3
66.21104	0.2
66.43725	0.2
69.03423	0.4
69.07071	0.5
69.57603	0.2
70.06593	0.3
70.70809	0.5
78.28111	0.2
79.71640	0.2
81.07059	0.2
85.02905	0.7
86.09705	0.3
91.22617	0.2
95.08595	0.3
97.06528	0.7
98.97604	0.6
105.01884	0.2
105.11456	0.2
107.01100	0.4
109.02895	0.3
118.77159	0.2
119.08533	0.2
127.03910	0.6
137.09584	0.3
150.87457	0.3
180.54225	0.2
203.05280	0.5
211.16875	0.3
212.17310	0.3
213.07874	0.3
215.13850	0.3
216.10182	0.3
223.09428	1.9
229.12350	0.3
237.59749	0.3
247.09290	1.7
247.13051	2.5
301.16238	0.5
347.16742	1.1
377.62653	0.4
391.14554	0.2
391.19250	0.5
409.18362	100.0
410.18661	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84019	1.3
56.96543	3.0
61.02929	1.8
66.96631	1.3
69.03436	4.1
70.06596	3.3
71.56006	2.5
81.03416	2.2
85.02916	10.1
87.04504	1.4
91.05474	2.6
93.86971	1.7
97.02891	4.5
98.97587	3.5
109.06496	2.2
111.86655	1.5
111.90618	1.2
119.04924	2.6
122.03635	1.7
132.83185	1.4
133.06502	1.6
137.05984	100.0
147.04422	7.1
151.07567	4.7
167.07014	3.0
179.07062	7.1
211.09663	89.9
237.02863	2.1
246.11327	1.4
276.07761	1.6
408.15686	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	408.2534
Annotation	CHEMBL1821990
Peak:m/z	Relative Intensity
53.03939	0.9
55.01863	1.3
55.05505	0.7
56.96568	3.9
57.03436	1.0
58.64555	0.4
58.82820	0.4
65.03931	0.8
67.05504	2.6
69.03446	1.0
69.07072	8.4
70.06587	0.6
71.57162	0.6
77.51762	0.4
79.05495	8.3
81.03412	0.5
81.07050	1.2
81.92288	0.4
84.99105	0.5
86.09725	0.4
91.05483	16.6
93.07031	0.9
95.04978	0.9
95.08637	0.6
97.02920	0.5
97.06535	53.7
98.97610	0.6
105.07002	1.0
107.04958	0.9
109.06542	1.0
109.10155	1.1
110.97572	0.4
117.07065	0.5
119.04948	11.3
119.08618	0.7
129.02271	0.9
133.06508	1.5
133.10115	0.4
135.04425	1.2
136.03369	0.4
137.05986	54.3
145.10066	0.5
147.03331	0.6
147.04405	4.8
149.05988	1.6
153.02094	0.5
156.68874	0.4
159.08070	0.5
161.05939	0.5
163.07632	1.0
171.03271	0.6
173.04842	0.8
176.14365	1.9
184.07318	0.6
186.14931	1.3
189.09102	8.5
199.06372	0.6
201.07889	0.5
215.10684	0.8
217.07510	0.5
229.07571	0.6
231.09010	0.7
233.11758	11.0
237.08002	1.5
241.07523	0.4
243.09155	0.6
253.14613	2.6
254.15614	0.6
255.09041	14.7
255.11615	0.9
269.10730	0.6
273.10077	5.6
278.10617	1.1
282.14871	1.4
282.18509	1.0
283.08630	0.5
285.09918	0.5
287.12823	1.5
296.11237	0.4
322.11740	1.3
331.15738	1.2
349.16788	5.2
364.19098	1.3
367.17953	10.4
379.21365	1.7
385.19003	6.9
385.23495	0.7
390.19489	1.0
408.25351	100.0
409.25677	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
53.46262	1.0
55.01880	1.7
55.05517	35.5
56.05029	2.0
56.96569	1.1
58.99587	15.3
61.02916	1.7
65.03946	1.1
67.05512	6.0
69.03429	3.5
69.07085	1.6
69.67904	6.3
70.02956	1.1
70.06601	2.0
73.01167	1.5
73.02921	1.1
76.02231	9.1
76.03998	3.8
79.05511	6.6
81.03413	2.2
81.07060	21.9
81.62914	1.1
83.06077	2.0
83.08146	2.4
83.08621	37.8
84.04506	20.3
84.08190	1.2
85.01147	2.4
85.02904	3.0
85.06535	2.1
86.09679	1.7
86.99065	12.9
88.02223	5.9
88.03986	3.2
91.05508	5.3
93.07049	8.0
95.04939	1.7
95.08603	6.4
97.02915	2.0
97.06538	2.4
98.97593	2.8
99.02692	1.6
101.09682	1.4
105.00101	1.7
105.07052	7.6
107.08585	9.6
108.53139	1.0
109.06506	7.8
110.97576	1.1
111.02673	1.7
111.08129	1.4
113.00555	1.1
113.04285	1.2
116.01683	55.1
117.07018	1.9
119.08566	5.6
121.06509	1.2
121.10114	2.0
122.02724	5.0
123.08087	6.7
125.09657	2.1
127.02148	4.0
127.03864	1.1
129.06602	3.6
130.05014	3.2
131.08621	5.8
132.01186	1.4
133.10133	4.6
135.08067	2.3
135.11690	1.6
135.45551	1.1
137.09654	1.6
141.07323	1.5
141.09123	1.3
142.03220	3.5
143.08620	1.4
144.01144	27.5
145.06120	3.4
145.10126	2.5
147.08043	1.7
147.11656	1.7
148.45786	1.2
149.09590	2.4
151.07501	1.4
151.11180	5.4
152.05331	1.4
155.08527	2.3
157.10138	1.5
158.99657	1.3
159.08400	38.6
159.11705	4.0
160.04321	2.0
162.02211	100.0
169.10184	1.3
173.09599	1.4
173.13364	1.3
176.11079	7.3
183.04709	1.4
185.13297	1.9
187.14842	2.4
197.13239	2.8
198.05869	2.6
201.05772	1.3
203.14302	1.6
205.05354	1.6
209.11763	2.6
214.06816	1.6
215.14381	3.9
226.08955	1.5
233.15356	2.8
244.10080	1.6
251.16441	1.3
254.08437	1.3
262.11090	54.2
265.07419	1.3
265.12686	2.0
272.09686	1.5
279.13739	31.4
283.08447	3.0
301.14716	3.8
307.08533	1.5
333.14841	9.4
336.16318	5.4
346.16724	1.7
354.17297	6.3
372.18405	6.8
390.19485	30.2
408.17667	10.3
409.11157	6.6
427.12833	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.0
56.96562	1.1
60.12514	0.4
67.05498	1.0
69.07059	1.0
69.42619	0.4
70.23769	1.5
79.05475	0.8
81.07050	1.3
91.05482	1.4
93.07033	0.8
95.04932	0.6
95.08582	1.1
95.40211	0.5
105.07032	0.7
107.08601	0.8
109.06528	0.5
109.10135	0.5
117.07008	0.6
119.08587	0.9
121.10089	0.6
123.08088	0.6
131.08508	0.8
133.10158	0.6
133.69589	0.5
171.03262	0.6
184.07462	0.6
194.37729	0.5
222.54326	0.5
267.08987	0.6
286.72195	0.5
299.39700	0.5
307.15738	0.5
329.14215	1.3
347.15298	2.0
365.16367	1.7
407.24045	100.0
408.24295	2.4
431.89859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16793	0.3
56.96561	0.7
58.37000	0.3
71.54992	0.5
82.35854	0.3
98.97017	0.4
98.97593	4.9
101.00886	2.2
102.94378	0.3
116.98619	2.9
119.01917	5.5
134.99678	1.2
137.02969	1.0
158.99904	1.4
165.99677	0.4
177.00957	12.3
182.99942	0.9
193.04097	0.4
194.98578	0.3
200.02533	0.4
201.00900	2.6
217.04065	3.1
219.02008	22.8
220.02171	0.7
221.02060	0.4
225.00798	2.8
232.96504	0.5
234.99913	0.4
241.29993	0.4
243.02002	11.9
244.02246	0.5
256.96478	0.4
258.99863	1.3
260.00189	0.8
261.03070	100.0
262.03214	2.6
263.03113	1.0
266.03705	0.4
274.97479	4.1
277.00909	1.3
282.97040	0.3
282.99814	1.7
283.99808	0.6
284.04538	1.9
284.99664	0.7
292.98523	2.3
301.00955	1.9
302.01105	1.5
303.00824	0.5
305.00739	0.6
367.02109	3.0
385.03168	26.3
401.01443	0.3
403.04288	20.5
408.04639	0.9
426.01135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05532	0.8
67.05495	2.0
69.07056	0.6
69.67241	2.5
69.91920	0.4
71.08605	0.6
79.05492	1.7
81.03393	0.5
81.07082	2.3
83.85630	0.5
91.05484	1.4
93.07043	1.7
95.04958	0.7
95.08600	1.5
97.02900	0.5
105.07018	1.1
107.08601	0.9
109.10184	0.6
109.15179	0.5
117.06999	0.9
119.11100	0.5
133.10124	0.9
135.11674	0.8
135.15619	0.5
147.11719	0.6
184.07346	0.8
201.16382	0.6
270.76297	0.5
371.25629	0.7
389.27097	0.7
407.24045	100.0
408.24405	2.2
421.31406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
56.96560	2.7
61.02914	0.6
64.19144	0.4
65.73744	0.4
67.05493	1.1
69.07047	0.5
70.71181	1.2
70.71545	0.5
79.05493	0.7
85.02899	0.7
91.05456	0.9
93.07015	0.7
95.04972	0.5
97.02892	0.4
97.47939	0.5
98.09330	0.5
104.83398	0.5
105.07016	0.9
107.08568	0.4
109.10143	0.6
119.08601	0.7
131.05768	0.5
137.43288	0.5
145.10170	0.7
171.11676	0.4
237.07947	0.6
243.08974	0.6
253.11067	0.6
267.09064	0.7
285.10025	0.8
309.16620	1.1
329.14340	1.6
347.15231	7.0
365.16382	6.0
388.17783	0.5
407.24036	100.0
408.24500	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	2.6
67.05495	0.9
69.07059	0.7
70.06581	0.6
71.00998	1.0
79.05493	1.2
81.07042	0.9
84.81637	0.4
91.03951	0.4
91.05467	0.5
93.07056	0.7
97.06537	0.7
105.06985	0.4
109.10079	0.5
119.08545	0.6
137.05952	0.6
149.69275	0.5
185.04927	0.6
221.73715	0.4
225.08055	0.7
227.84265	0.5
238.87587	0.5
301.29178	0.5
303.63428	0.5
309.16739	1.3
329.14145	1.3
347.15268	7.4
349.16354	0.9
365.16360	5.2
367.90891	0.5
370.16910	0.6
388.17963	0.8
407.24054	100.0
408.24609	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2279
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
50.64281	0.7
52.47199	0.7
53.03923	0.9
55.01874	0.9
55.05500	2.1
56.36184	0.7
56.96575	0.7
58.40929	0.8
67.05506	7.1
68.31242	0.8
69.03419	0.9
69.07078	4.7
71.56387	0.8
77.00875	1.0
79.05494	5.0
81.03403	1.2
81.07053	7.4
82.94560	7.4
83.06120	1.2
83.08598	2.0
84.04495	1.2
84.97440	0.8
89.96051	0.7
91.05483	7.4
93.07042	6.8
95.04937	2.0
95.08607	3.7
97.10161	1.1
98.97553	1.2
101.00879	6.6
105.07040	8.4
107.04941	1.2
107.08563	2.4
109.10143	1.7
114.85617	0.8
115.02443	0.9
117.06995	3.7
119.01917	17.1
119.08572	5.5
121.06519	0.9
121.10118	2.8
125.09620	0.9
129.06964	1.2
130.04965	2.3
130.29341	0.8
131.08553	3.7
133.03459	8.5
133.10109	2.7
135.11652	0.9
137.02925	3.5
142.03496	1.3
143.08543	2.8
145.10103	3.3
147.11676	0.9
151.04471	1.4
153.03915	1.9
155.05539	1.8
155.08574	1.2
157.03505	2.4
157.10204	1.5
161.06557	0.8
163.11201	1.4
169.10109	1.2
171.01431	1.2
171.04988	2.4
171.11679	1.1
173.06654	1.0
175.11072	1.0
177.03973	2.2
177.16380	0.9
182.04312	3.7
183.05005	1.9
183.11708	1.3
185.06618	1.0
185.13136	1.0
187.04509	2.6
191.05556	0.9
193.10631	0.9
194.04260	4.6
195.05045	18.4
195.08701	1.3
195.11711	0.9
196.05852	1.3
197.06544	1.3
197.13249	0.8
199.08046	1.2
201.06099	2.0
201.09698	0.8
207.10603	1.0
209.06619	2.2
209.10196	1.3
212.05296	1.9
213.06067	3.5
218.06566	2.1
221.10304	1.7
223.08124	1.1
223.11765	1.4
225.09711	1.7
227.11243	1.4
235.08211	1.0
239.11273	3.3
245.10220	1.5
247.11771	1.4
249.13298	1.4
251.11198	1.8
253.12856	3.1
257.12308	1.5
263.07782	1.6
263.11212	2.8
265.12854	1.5
267.14502	1.9
269.12350	2.6
271.13889	3.4
277.09607	1.0
277.12933	1.2
281.12347	1.5
283.13849	2.9
285.15482	2.2
295.13858	8.9
309.15591	5.4
313.14886	1.3
315.18008	5.0
319.13898	3.6
319.17337	0.9
320.14731	5.2
329.19470	2.3
333.19202	4.4
335.23636	1.1
343.26373	1.2
347.20728	7.3
353.24796	1.3
357.19043	2.5
365.21585	3.1
371.21011	1.1
371.25803	2.5
389.21786	100.0
389.26672	10.0
390.21835	2.6
407.22537	4.8
407.27618	2.3
430.24609	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25249	1.0
55.05513	1.8
66.61317	1.1
67.05498	1.3
69.03431	1.4
69.07065	1.7
70.06614	1.1
79.05496	3.1
81.07037	2.1
83.04969	1.1
91.05479	4.1
93.07050	9.9
95.08601	6.3
97.06531	3.3
98.20741	2.7
105.07026	9.8
107.08591	14.6
109.06525	8.0
109.10170	1.4
117.07021	1.8
119.08612	1.7
121.10151	5.8
123.08084	1.8
131.08594	6.8
133.10133	100.0
135.08041	1.7
135.11754	1.3
137.09607	10.9
145.10123	2.3
147.11700	2.9
149.09662	1.3
149.13271	4.5
151.11232	3.8
154.69055	1.1
158.10886	1.4
163.11201	1.3
173.13258	16.8
191.14288	18.1
209.15370	5.9
239.46857	1.0
251.94774	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11699	0.4
53.99506	0.3
55.05500	1.3
56.96569	9.9
67.05499	1.7
69.07078	0.6
69.36814	1.8
69.37246	1.7
71.95259	3.5
77.39927	0.4
79.05505	2.7
81.07065	1.9
83.49132	0.4
91.05488	1.7
93.07048	3.0
95.08613	1.6
98.97590	100.0
100.36963	0.4
105.07040	1.4
107.08595	1.6
109.06536	0.5
109.10175	0.9
113.54965	0.4
116.98627	47.8
117.06969	0.6
119.01963	0.6
119.08584	1.2
121.10149	0.6
133.10109	0.8
134.99661	12.0
135.11760	0.5
140.00197	7.9
145.10167	0.6
148.42653	0.4
153.00755	0.5
156.10228	0.5
158.01292	2.8
173.13309	0.7
192.25159	0.4
226.69304	0.4
227.66052	0.4
299.28275	0.4
315.16486	0.7
319.12088	0.7
365.20944	0.5
389.20001	84.2
390.20383	1.7
390.79419	0.4
407.21069	7.0
430.22678	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	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	15.0
57.07057	4.5
65.03938	2.6
67.05498	12.6
69.03431	7.6
69.07036	4.5
69.58736	19.6
71.04993	6.3
73.59708	2.6
79.05483	9.1
81.03418	4.0
81.07058	17.6
83.04971	18.2
83.08604	10.8
85.02902	21.6
85.06540	44.1
91.03944	3.1
91.05475	11.0
93.07029	11.3
95.04970	11.2
95.08639	3.9
97.02876	5.8
97.06516	10.3
97.10180	3.0
97.44839	2.7
98.21516	3.3
99.04501	3.5
105.07049	19.0
107.04979	3.0
107.08590	23.5
109.06503	18.2
109.10164	16.6
111.04448	5.3
111.08083	3.9
113.51184	2.8
117.07062	6.0
119.08592	13.0
121.06492	2.8
121.10137	30.6
123.11686	6.8
125.06034	3.7
125.09708	2.9
127.03928	5.1
131.08565	36.7
133.10130	35.0
135.08026	5.9
135.11757	3.3
137.09608	4.1
139.11209	4.9
145.10118	10.3
147.11705	9.2
149.09627	26.0
149.13246	7.7
151.11179	17.5
153.09085	7.3
163.11189	10.1
163.14801	2.7
165.09137	6.6
167.10678	12.4
167.14334	18.3
173.13246	24.2
175.14861	7.6
191.10681	34.3
191.12469	3.3
191.12773	3.0
191.14275	23.0
209.11815	38.2
209.15372	100.0
227.12802	67.6
227.16168	13.2
328.04953	2.8
348.99197	2.9
368.02386	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	406.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18766	2.0
52.49908	1.5
53.03958	1.5
55.05508	4.7
57.03429	3.5
61.02890	2.5
67.05502	7.8
69.03415	8.1
69.07062	4.8
70.01864	3.9
70.02283	4.8
70.42974	1.6
71.04985	3.9
73.02910	1.6
78.43762	1.7
79.05490	11.0
81.03399	3.5
81.07043	8.5
83.04957	3.7
84.08132	2.0
85.02898	17.1
85.06529	2.5
91.05444	5.2
93.07043	20.3
95.04971	4.5
95.08621	2.7
97.02874	6.0
97.06544	8.4
97.07104	1.6
98.20874	2.2
98.97583	3.6
99.04447	18.6
100.76890	1.6
101.06005	2.8
105.07029	56.3
107.08595	68.9
109.06525	5.1
109.08028	1.7
109.10136	4.3
111.08086	3.2
113.06009	2.0
117.07009	3.3
119.08585	16.2
121.06493	9.9
121.10139	33.5
127.03865	4.5
127.07531	2.0
130.07780	2.3
131.08585	3.4
133.10139	3.4
135.08018	7.1
135.11676	15.6
144.01797	2.0
145.04942	2.3
145.10121	31.4
147.11719	3.7
149.05994	1.9
149.09613	5.1
163.11177	100.0
172.08844	2.1
173.09593	6.5
180.08635	3.3
181.12245	36.5
183.11717	2.7
191.10663	68.3
203.10541	2.8
209.11714	52.9
215.10667	5.0
227.10818	3.2
227.12767	90.0
233.11650	2.5
245.11763	4.2
253.22612	1.9
298.93863	1.8
361.10602	3.0
388.21030	2.3
406.17004	2.4
406.22595	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	406.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.9
57.03429	2.5
60.04508	1.4
65.96641	1.0
67.05507	2.5
69.03433	4.2
69.07057	5.7
70.06595	2.6
70.39378	1.0
70.57957	3.6
71.04991	7.4
71.45982	1.0
79.05492	10.1
81.03432	1.9
81.07071	2.4
83.04990	3.2
85.02885	6.0
86.09701	2.1
91.05490	7.9
93.07049	12.8
95.04968	2.7
95.08612	2.1
97.02898	2.3
97.06533	4.3
98.97573	4.0
105.07024	11.0
107.04952	3.9
107.08589	19.8
109.06528	3.0
109.10131	1.7
116.98643	1.3
117.07011	2.6
119.08603	5.7
121.02857	1.2
121.06522	12.7
121.10134	10.1
125.05984	2.1
127.03886	1.1
129.07019	1.4
131.08568	61.3
133.10152	8.2
135.08076	2.2
135.11717	2.0
137.02432	1.1
137.05972	2.0
139.07509	1.7
141.05498	1.2
143.08542	1.4
145.10126	16.1
147.04353	1.3
147.08026	2.0
147.11700	1.9
149.05978	2.7
149.09622	25.5
151.07549	1.3
153.05504	3.3
163.07518	1.2
163.11217	9.7
165.09178	2.4
167.07120	2.2
167.10625	1.7
173.09683	1.6
173.13242	4.1
175.14882	2.7
178.05046	1.4
179.10803	1.4
182.15540	1.1
188.03432	1.3
191.10667	20.0
191.14359	5.6
209.11736	100.0
213.08017	1.2
224.13734	1.2
227.09187	1.7
227.12820	1.5
237.02426	1.1
251.08182	1.2
265.09869	1.5
268.06674	1.4
269.09259	4.2
279.07700	2.2
283.10916	1.2
293.09409	2.4
297.08655	7.2
311.10297	2.1
315.09744	3.0
321.08701	1.5
325.11908	1.5
329.11166	1.0
339.09811	4.0
357.10675	1.6
358.29489	1.0
371.12357	2.5
388.23413	1.5
389.13461	18.4
406.09244	3.8
406.17572	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	405.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.3
55.01877	25.0
55.05518	42.5
57.02932	5.5
57.03428	15.6
57.07072	9.2
66.36588	6.7
67.05510	91.5
69.07076	55.7
71.08620	10.8
71.41512	6.0
71.56354	6.8
79.05495	64.3
80.94857	81.4
81.03412	11.8
81.07060	100.0
83.04984	19.5
83.08614	26.3
85.06554	7.1
85.32310	5.9
91.05497	47.8
93.07046	88.2
95.04942	7.3
95.08609	74.9
97.06530	23.6
97.10177	15.3
98.97604	8.3
99.08112	8.7
105.07031	60.4
106.88148	6.0
107.08596	61.9
109.06509	19.2
109.10199	30.7
110.95504	6.0
111.08100	14.7
117.07007	22.0
119.08602	58.0
121.06491	9.4
121.10162	41.5
123.08057	13.6
123.11719	8.4
129.07010	8.0
131.08588	36.1
133.10106	35.9
135.11705	31.2
137.09665	11.1
137.13284	8.0
143.08551	15.5
145.10150	30.0
147.08122	7.6
147.11679	33.2
149.09590	15.6
149.13248	17.4
151.11171	9.2
157.10159	21.0
159.11688	18.6
161.09685	8.7
161.13283	15.6
163.11247	11.1
169.10168	13.0
171.11665	17.3
173.13283	13.0
179.14288	7.6
183.11769	8.3
184.07399	22.8
185.13336	10.5
187.14673	8.6
197.13356	7.6
201.16315	7.5
213.16489	7.2
215.17976	7.2
221.98766	7.1
238.49059	6.7
275.20084	18.2
277.21613	9.1
284.12955	6.6
291.23114	13.2
307.22610	8.7
337.25317	8.5
347.21890	95.0
355.26236	23.0
358.24847	6.8
369.28006	6.8
373.27390	10.1
387.24832	10.1
387.29065	20.8
405.25519	10.8
405.30679	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	405.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.3
55.01877	25.0
55.05518	42.5
57.02932	5.5
57.03428	15.6
57.07072	9.2
66.36588	6.7
67.05510	91.5
69.07076	55.7
71.08620	10.8
71.41512	6.0
71.56354	6.8
79.05495	64.3
80.94857	81.4
81.03412	11.8
81.07060	100.0
83.04984	19.5
83.08614	26.3
85.06554	7.1
85.32310	5.9
91.05497	47.8
93.07046	88.2
95.04942	7.3
95.08609	74.9
97.06530	23.6
97.10177	15.3
98.97604	8.3
99.08112	8.7
105.07031	60.4
106.88148	6.0
107.08596	61.9
109.06509	19.2
109.10199	30.7
110.95504	6.0
111.08100	14.7
117.07007	22.0
119.08602	58.0
121.06491	9.4
121.10162	41.5
123.08057	13.6
123.11719	8.4
129.07010	8.0
131.08588	36.1
133.10106	35.9
135.11705	31.2
137.09665	11.1
137.13284	8.0
143.08551	15.5
145.10150	30.0
147.08122	7.6
147.11679	33.2
149.09590	15.6
149.13248	17.4
151.11171	9.2
157.10159	21.0
159.11688	18.6
161.09685	8.7
161.13283	15.6
163.11247	11.1
169.10168	13.0
171.11665	17.3
173.13283	13.0
179.14288	7.6
183.11769	8.3
184.07399	22.8
185.13336	10.5
187.14673	8.6
197.13356	7.6
201.16315	7.5
213.16489	7.2
215.17976	7.2
221.98766	7.1
238.49059	6.7
275.20084	18.2
277.21613	9.1
284.12955	6.6
291.23114	13.2
307.22610	8.7
337.25317	8.5
347.21890	95.0
355.26236	23.0
358.24847	6.8
369.28006	6.8
373.27390	10.1
387.24832	10.1
387.29065	20.8
405.25519	10.8
405.30679	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	405.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.0
53.22282	2.4
55.01862	9.2
55.05261	3.8
55.05513	41.3
56.96553	6.8
57.03424	5.5
57.90639	2.5
65.03943	4.8
67.05177	4.2
67.05505	57.0
69.03413	4.1
69.07075	41.0
69.27025	21.7
71.04980	9.2
73.06538	2.9
76.26572	2.9
79.05495	56.4
81.03427	4.0
81.07058	65.2
83.04971	8.8
83.08624	33.8
83.61594	2.3
85.02897	3.2
85.06528	5.3
91.05480	84.6
93.07050	53.9
95.04958	10.3
95.08610	44.2
97.02892	3.4
97.06532	11.9
97.10193	6.4
99.08086	5.8
99.22601	2.6
103.05462	5.8
105.07035	66.9
107.04954	13.1
107.08601	28.5
107.09328	4.0
109.06504	7.9
109.10156	9.6
111.08054	4.2
115.05445	7.5
116.06195	2.8
117.07024	52.1
119.08592	35.4
121.06502	8.5
121.10135	22.7
123.08066	7.1
125.09591	5.3
128.06233	12.4
129.07018	51.5
130.04988	2.9
131.04912	4.0
131.08577	100.0
133.06525	4.8
133.10129	25.6
135.08052	6.0
135.11681	11.3
137.05934	3.2
139.11143	9.5
141.06984	17.9
141.09151	3.1
142.07793	4.5
143.08569	44.8
143.09584	5.3
145.06445	8.6
145.10144	33.9
147.08014	10.1
147.11681	10.9
149.09621	5.4
149.13225	3.0
154.07794	4.1
155.08549	27.5
157.06480	2.6
157.08998	2.8
157.10146	22.6
159.08057	6.2
159.10323	4.5
159.11688	14.8
161.09578	5.6
161.13237	5.1
163.11150	5.2
165.06979	3.4
165.09113	2.8
167.08580	11.6
169.10089	14.2
171.08052	6.0
171.11736	15.6
173.13277	5.5
175.09669	7.4
175.11205	6.8
177.12778	6.0
179.08557	5.4
181.10074	14.5
183.11647	12.4
184.54153	2.7
185.09743	3.8
185.13287	6.9
187.11119	2.8
187.14896	3.7
189.12790	4.5
191.08612	2.5
193.10133	6.3
195.11642	13.0
197.13280	8.1
199.11171	3.6
199.14836	7.4
201.12848	3.4
203.12640	3.1
203.14354	4.3
207.11746	4.6
209.13251	10.1
211.14781	9.0
213.12746	4.5
213.16264	5.8
221.13275	13.8
223.14832	17.4
225.16364	2.7
227.14320	3.9
231.13779	4.1
231.17542	3.5
233.15408	14.6
235.14786	9.9
237.16324	3.1
239.14317	10.3
241.15916	5.1
242.12646	3.9
245.15508	2.9
247.17047	4.8
253.15839	3.9
257.15399	8.7
259.16913	5.0
259.20624	2.9
271.16937	9.9
275.19684	3.4
305.22891	3.1
315.21124	4.0
323.23770	7.2
333.22269	18.3
341.24619	13.2
351.19177	4.6
351.23218	45.1
359.25677	4.7
369.24234	36.4
374.74124	3.4
377.26807	3.6
387.25284	43.6
394.42444	2.6
405.26178	17.6
406.35416	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	405.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
55.01877	5.4
55.05513	8.0
57.03436	4.9
57.07073	3.0
67.05507	4.0
69.06721	0.7
69.07070	8.3
69.98694	0.7
69.99104	1.5
71.08635	2.0
71.66428	0.3
79.05499	2.3
81.07064	3.8
83.08624	7.3
85.10179	0.9
93.07037	2.8
95.08616	3.1
97.06522	1.1
97.10174	5.5
98.21473	0.6
99.08135	0.4
107.08588	1.6
107.87848	0.4
109.10169	1.2
111.08070	0.6
111.11726	1.5
113.00020	98.6
119.08595	0.4
121.10181	3.3
123.11684	1.0
135.11696	2.3
137.13280	1.1
139.01500	0.4
149.13275	1.0
169.02617	100.0
200.57562	0.4
219.21068	1.7
237.22125	7.7
405.24194	0.6
405.37204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.5
55.05515	2.1
56.96558	2.8
57.03442	1.9
58.23714	1.4
61.02932	2.1
67.05506	2.6
69.03416	3.0
69.07061	2.5
70.45839	1.3
71.56612	1.9
73.02915	1.5
79.05495	2.1
81.03407	2.9
81.07053	4.5
83.04984	2.2
83.08601	1.8
84.08146	1.4
85.02898	3.9
91.05479	3.7
93.07040	1.9
95.08597	1.5
97.02890	3.1
97.06525	6.5
98.97572	4.9
105.07019	2.7
107.08623	2.5
108.08112	1.6
116.98634	1.8
119.08555	1.6
121.10131	2.8
123.08067	19.4
123.68366	1.3
124.08410	13.3
129.02238	1.9
131.03786	4.1
137.05997	3.2
139.11116	1.9
147.03311	2.5
149.04855	3.4
167.07230	1.8
175.06386	4.5
182.12601	1.5
183.09203	2.3
189.10136	1.9
193.07542	3.5
197.07094	12.8
199.08754	2.2
202.08768	1.4
211.08572	11.7
212.09398	1.4
213.10324	2.1
219.09038	11.0
225.06657	16.9
225.10153	9.8
225.14769	2.0
226.08855	1.5
226.15265	4.8
227.08165	1.6
227.12126	1.5
237.10233	2.6
239.04469	5.0
239.08153	27.0
240.08925	2.3
241.09679	1.9
243.07588	2.4
245.12888	19.1
252.09325	1.9
252.59645	1.6
253.09726	17.0
255.07623	2.5
255.11353	3.5
257.05545	2.9
257.09131	4.9
267.07672	18.0
271.10797	8.3
273.08594	1.8
281.09164	17.2
283.10754	2.1
285.08633	4.4
289.11829	6.3
293.09271	4.0
297.08783	1.9
299.06909	1.9
299.10278	27.9
309.08691	29.2
311.10278	5.1
327.09750	55.2
329.11340	8.8
337.08279	2.1
345.10806	79.5
355.09256	7.1
363.13190	17.8
373.10294	100.0
387.11441	3.2
405.12830	23.7
405.20648	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	405.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.2
56.96305	1.6
56.96567	22.2
57.07066	1.3
60.89050	1.1
61.92076	1.0
67.05500	3.1
69.07055	2.5
70.98125	2.8
71.56860	1.2
71.57223	1.0
71.95254	2.6
79.05475	1.9
81.07047	3.4
83.08612	2.9
84.96022	1.3
88.43094	1.1
91.05489	1.3
93.07037	3.8
95.08590	4.1
97.10184	1.9
98.97586	38.6
105.07033	1.6
107.08621	1.9
109.10184	2.2
111.08118	1.2
113.00019	22.7
116.98623	18.0
117.07007	1.2
119.08587	2.0
120.78625	1.0
121.10117	2.9
123.01212	1.8
133.10149	1.3
134.99649	5.8
135.11729	1.0
135.44542	0.8
135.63191	1.1
140.00212	4.6
141.02248	1.1
151.00633	1.9
158.01256	1.9
164.66051	1.1
167.03806	1.4
169.02675	21.0
173.04892	1.9
183.03366	2.2
184.07137	1.4
185.04939	3.0
187.02773	2.7
197.04834	1.5
205.05324	1.1
223.06447	1.8
243.09045	1.6
253.11142	2.2
261.08044	3.9
267.12634	1.3
279.09073	5.4
293.10519	3.9
311.11707	3.6
313.14749	2.4
331.15775	5.1
345.13751	1.2
345.17337	5.1
349.16705	1.4
363.18427	17.3
386.19934	2.0
405.19467	100.0
405.35245	2.3
406.19812	1.8
423.20621	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	405.2248
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
55.01868	0.8
55.05518	2.4
56.96559	2.2
57.03425	1.0
61.02924	1.0
65.95840	0.4
67.05501	3.9
69.03428	0.6
69.07051	2.1
70.87896	1.3
71.04955	0.5
79.05482	3.3
81.03414	1.3
81.07059	4.4
82.07374	0.4
83.04972	1.0
83.08620	2.4
85.02881	0.9
91.05480	3.0
93.07027	2.3
95.04974	0.8
95.08617	3.0
97.02876	0.5
97.06537	1.5
97.10157	0.8
98.97581	0.8
105.07021	3.2
107.04934	0.5
107.08594	2.2
109.06501	1.2
109.10124	1.5
117.06993	1.3
119.08560	3.1
121.10140	1.3
123.08059	1.7
125.09636	0.8
129.07005	0.5
131.08598	1.4
133.10101	2.4
135.08041	1.2
135.11710	1.2
143.08510	0.7
143.65254	0.4
145.10110	1.4
147.04562	0.4
147.11696	1.1
149.09650	0.8
149.13260	0.8
159.11719	1.1
161.13277	0.8
169.10089	0.5
171.03336	0.8
171.11639	0.6
173.13287	0.7
175.14792	0.7
179.14258	0.8
187.20891	0.5
217.06961	0.7
233.15453	0.8
259.20453	0.8
283.08563	1.0
319.22452	0.6
331.26385	2.3
365.16370	1.0
387.25027	0.6
404.75507	0.5
405.22458	100.0
406.12772	0.9
406.22766	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.9
64.65833	0.8
67.09553	0.8
71.54668	1.4
71.95281	0.8
76.20419	0.9
98.97577	9.7
100.42975	0.8
103.00621	1.6
104.13473	0.9
110.97565	1.9
112.89600	5.3
114.89339	2.6
116.98629	3.3
119.01900	1.4
121.01697	1.8
128.98575	1.8
133.01631	1.1
134.99745	0.9
145.01627	2.2
147.03212	1.1
157.01630	2.0
158.99931	1.1
159.03320	1.1
162.99368	0.9
163.02693	2.3
168.95724	1.2
174.97649	2.1
175.02715	2.2
177.00969	6.8
182.99767	1.2
187.02722	2.9
190.90976	1.1
198.97525	1.7
201.00995	13.4
203.02580	2.2
205.00407	1.9
208.87556	1.1
213.00902	1.9
215.02551	2.9
216.98802	4.4
218.98576	1.3
219.02023	17.5
223.04913	1.0
224.79311	2.3
225.00992	3.3
226.88637	1.4
227.02521	17.7
228.98630	0.9
229.04027	1.8
231.02005	2.5
234.99820	1.9
237.00919	2.0
239.02487	1.3
241.04015	1.4
243.02028	33.2
244.89783	1.3
245.03554	3.1
246.89546	1.5
247.04933	9.8
248.83754	1.4
249.00978	1.1
255.02011	17.5
257.03589	1.0
259.05008	1.0
261.00150	1.8
261.03073	14.4
262.90686	0.8
265.05862	1.4
267.01990	13.4
268.94031	1.0
273.03098	8.5
277.05899	3.0
278.03726	0.9
279.01114	0.8
285.00015	2.1
285.03052	21.1
288.02429	1.0
289.00766	2.5
291.04117	1.4
301.00751	1.0
303.04129	100.0
304.04318	5.5
307.07016	1.4
321.05154	9.1
326.05655	3.1
333.00034	1.6
339.06250	11.5
345.05408	4.5
358.82690	1.3
363.06247	11.6
367.09091	1.1
368.98367	1.1
376.80035	1.2
381.07355	8.3
382.07465	1.5
386.07800	1.0
405.07132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23014	3.4
55.05519	33.0
56.96556	6.8
57.03432	17.5
57.07095	3.8
58.12341	3.0
67.05188	3.3
67.05510	60.0
67.78242	3.4
69.07082	25.0
70.31394	13.3
71.05002	4.9
71.08631	33.1
73.96404	3.6
79.05505	40.4
81.03394	3.8
81.06590	4.7
81.07060	74.4
83.04954	13.7
83.08613	22.5
91.05479	27.8
93.07048	68.6
94.10052	3.3
95.04971	14.8
95.08605	29.6
97.06516	13.1
97.10166	20.6
98.21435	3.7
99.08098	38.4
105.07028	25.7
107.08608	30.2
109.06506	7.3
109.10148	7.2
111.08095	4.7
117.07015	12.1
119.08578	17.6
121.10133	14.1
123.11784	4.4
124.21766	3.7
125.09663	18.5
131.08559	7.8
133.10120	13.0
135.08052	4.5
135.11668	11.3
143.08569	4.1
145.10112	7.7
147.11678	7.9
149.13213	21.5
151.11191	16.7
157.10144	4.7
159.11694	18.1
160.96863	3.7
161.09627	3.8
161.13286	12.3
163.11197	7.6
171.10226	3.7
171.11732	3.9
171.35109	3.5
173.11737	15.4
175.14922	4.8
177.12730	17.2
179.14297	12.8
186.26901	4.2
189.11201	8.6
195.13777	9.4
227.12810	29.1
229.14482	4.7
231.21074	4.7
237.73091	4.1
241.19510	9.1
245.13919	5.7
249.22020	3.6
253.17932	5.8
259.20575	15.6
269.17487	100.0
277.21667	39.2
286.20090	12.2
335.10938	3.6
351.25278	51.4
383.49429	4.3
386.28696	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10827	4.5
53.03948	4.5
55.01866	6.9
55.05510	32.6
56.05043	4.3
56.96556	13.6
57.03431	17.2
57.07088	5.6
67.05502	65.4
69.03416	7.9
69.07071	25.7
70.14490	3.8
71.04967	5.8
71.08638	50.8
71.57133	5.9
77.55384	3.9
79.05492	42.0
81.03421	7.8
81.07058	71.8
83.04969	11.9
83.08633	22.9
85.06489	4.9
91.05472	28.1
93.07045	56.2
95.04984	9.1
95.08620	34.5
97.06511	15.2
97.10184	35.2
97.69993	4.4
99.08093	38.8
105.07064	26.2
106.23105	4.6
107.04951	9.6
107.08595	27.9
108.29726	4.0
109.06468	4.7
109.10141	21.2
111.08067	10.2
117.07040	14.3
119.08579	20.4
121.10159	14.2
123.08070	5.0
123.11672	4.9
125.09634	31.3
131.08510	8.7
133.10120	13.8
135.08084	6.7
135.11705	10.2
140.14328	10.5
143.08525	5.8
145.10086	10.5
147.11682	9.5
149.13252	15.8
151.11186	14.8
157.10097	4.8
159.11725	13.0
161.13263	17.0
163.11237	7.7
171.10196	5.2
173.11761	47.6
175.14719	6.8
177.12704	7.8
179.14320	9.5
189.11203	18.4
195.13762	7.9
225.07918	5.2
227.12770	48.6
229.14180	5.2
231.20866	4.6
241.19498	8.0
243.08990	5.6
245.13849	18.1
253.18069	12.9
259.20511	15.4
269.17505	49.9
277.11035	5.2
277.21637	42.7
281.10764	6.1
286.20258	21.2
326.47137	4.6
342.23877	6.3
351.25275	100.0
363.14896	7.7
369.26654	5.9
381.15836	6.9
386.28809	6.0
404.31097	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	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.6
55.05499	5.2
57.03426	3.8
61.36411	1.1
67.05489	5.2
69.03428	3.7
69.07061	3.0
69.42079	3.7
69.42496	6.1
71.04976	2.3
79.05492	2.0
79.22366	1.4
79.59117	1.1
81.03387	1.7
81.07053	11.7
83.04970	5.6
83.08646	1.6
83.73920	1.2
85.02909	21.7
85.06527	2.6
89.73843	1.1
89.95322	1.2
91.05483	3.3
93.07041	7.8
95.01336	2.8
95.04951	2.8
95.08586	6.1
97.02886	4.9
97.06527	4.6
98.21616	1.3
99.04436	4.7
105.07005	7.3
107.08605	9.6
109.06503	12.7
109.10160	12.9
111.08060	5.8
119.08572	7.3
120.08072	1.4
121.10157	15.4
123.00792	3.3
123.08099	6.5
123.11713	19.8
125.06037	2.0
127.03867	1.5
131.08592	1.8
133.10081	6.4
135.11662	2.2
137.05991	2.5
137.09625	44.5
137.13234	1.5
141.01837	2.1
143.08611	1.3
145.10141	3.5
147.08017	2.3
147.11681	16.0
149.09633	5.3
151.07547	3.3
155.10635	7.5
161.09647	7.8
161.13252	5.8
163.11177	3.0
165.09134	13.9
165.12756	100.0
169.01300	2.0
171.11652	2.1
174.10378	2.2
179.10728	3.7
179.14331	6.6
183.10185	10.1
189.09114	3.4
189.12735	15.2
201.11221	26.3
207.10353	2.8
207.13805	50.2
225.11217	11.3
287.10312	1.3
312.50439	1.2
326.67859	1.3
345.10556	2.2
373.09909	1.6
404.15964	2.3
404.20795	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46684	0.4
53.03941	0.5
55.01884	0.5
57.03424	0.7
61.02904	0.4
67.05495	1.9
69.03417	1.8
71.04987	0.7
71.07332	0.7
79.05493	1.1
81.03426	1.3
81.07056	1.6
82.18238	0.4
83.04989	2.5
85.02908	4.1
91.05465	1.2
93.07030	2.0
95.04961	1.6
95.08599	3.7
96.57646	0.5
97.02890	1.7
97.06512	2.0
98.97574	0.9
99.04488	0.6
99.08126	0.5
105.07030	1.8
107.08582	1.9
109.02894	0.5
109.06509	2.1
111.04466	0.4
119.08572	2.1
121.06503	1.3
121.10148	5.9
123.08067	100.0
124.08427	0.9
125.05967	0.6
127.03868	0.6
127.07687	0.4
133.10146	1.8
135.11685	1.5
137.06038	0.5
137.09628	1.3
145.05003	0.7
145.10097	1.0
147.08075	0.4
147.11708	1.4
149.09618	3.9
151.11206	5.8
161.13258	0.6
163.11157	2.1
164.07054	0.5
165.09116	1.0
165.12718	0.5
167.10713	2.7
181.12230	7.1
189.12784	1.3
207.13800	6.6
217.94258	0.5
225.06607	0.6
225.14848	24.0
239.08182	1.5
245.12856	0.7
253.09985	1.0
267.07581	0.5
281.09314	1.1
299.10263	1.2
309.08743	1.5
327.09811	1.7
345.10843	3.2
355.09335	0.9
361.10669	0.5
373.10168	4.9
404.20374	0.6
404.26224	0.4
405.13144	1.0
415.77008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.01873	3.2
55.05501	7.4
57.03428	4.4
61.02920	3.4
67.05502	9.6
69.03430	8.9
69.07059	5.1
69.49304	12.0
71.04974	5.9
73.02908	1.8
75.08716	1.5
79.05503	8.9
81.03433	2.9
81.07062	31.3
83.04974	7.7
83.08643	1.8
85.02908	31.6
85.06549	3.8
86.09691	2.9
91.05484	12.3
93.07043	18.5
95.01322	5.6
95.04954	6.9
95.08604	13.7
97.02906	17.3
97.06507	6.6
98.97601	2.6
99.04463	29.9
105.07037	27.7
107.04955	3.8
107.08592	16.7
109.06537	21.6
109.10167	29.3
111.08092	13.6
111.54800	2.0
113.02356	6.3
113.05984	2.2
117.07046	2.6
119.08589	15.5
121.06502	3.8
121.10143	16.2
123.00803	8.2
123.08081	10.7
123.11707	17.8
125.05987	4.2
127.03918	2.9
131.08537	2.7
133.06519	4.3
133.10124	41.2
135.07964	2.2
135.11653	2.5
137.05978	9.7
137.09619	70.9
141.01801	6.5
143.03387	3.1
143.08546	5.4
145.04970	2.9
145.10130	5.0
147.07967	3.2
147.11665	19.8
149.09595	7.1
151.07530	6.3
151.11194	4.3
155.10684	15.3
161.09621	40.0
161.13255	6.5
161.74033	1.9
163.11165	8.8
165.09113	31.8
165.12753	100.0
169.01323	4.4
171.11609	2.3
174.10428	3.1
179.10706	17.5
179.14293	6.1
183.10194	18.2
189.09119	15.0
189.12758	15.7
201.11221	55.5
207.10248	9.9
207.13791	51.4
225.11212	72.8
281.09436	2.7
309.08582	2.0
327.09705	2.3
345.10883	5.3
373.10239	5.3
404.16119	4.2
404.20483	2.9
404.24991	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01873	2.8
55.05488	5.4
56.49032	2.4
57.03442	4.4
61.02926	5.0
67.05512	13.2
69.03433	15.4
69.07074	5.0
69.49474	10.4
69.49899	5.9
70.06573	3.1
71.04991	12.0
73.02927	3.3
79.05473	10.4
81.03410	4.9
81.06582	3.0
81.07059	39.4
83.04982	7.0
83.08605	3.5
85.02913	36.3
85.06537	4.2
86.09713	5.1
90.09491	2.2
91.03943	2.6
91.05489	20.6
93.07053	27.3
95.01338	6.7
95.04958	8.1
95.08625	13.4
97.02890	25.0
97.06528	9.6
98.97607	2.8
99.04448	35.1
105.07036	38.9
107.04892	3.0
107.08605	22.6
109.06535	12.3
109.10161	39.8
111.08086	24.2
113.02374	5.5
117.07014	3.1
119.04926	2.4
119.08593	18.9
121.06498	6.5
121.10149	12.6
123.00789	9.2
123.08064	5.5
123.11720	14.1
125.05994	2.9
127.03952	2.9
131.08603	5.5
133.06490	5.1
133.10136	63.4
135.08084	3.4
135.11694	4.1
137.06033	10.9
137.09618	73.6
141.01822	7.3
143.03377	2.9
143.08556	8.4
145.04973	6.3
145.10110	9.5
147.08026	3.5
147.11687	19.8
149.09615	3.1
151.07578	11.8
151.11203	5.6
155.10645	23.4
161.09622	68.2
161.13252	6.5
163.11241	13.6
165.09108	36.3
165.12749	65.6
169.01326	7.3
179.10712	30.2
179.14339	5.4
183.10165	19.9
189.09140	24.3
189.12733	12.3
201.11214	76.5
207.10147	21.9
207.13835	36.3
225.11220	100.0
228.46129	2.4
239.08194	3.3
253.09723	3.5
309.08755	2.8
328.57672	2.7
345.10834	7.1
373.10089	4.6
404.16025	4.4
404.20294	3.7
404.24722	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	404.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01873	2.8
55.05488	5.4
56.49032	2.4
57.03442	4.4
61.02926	5.0
67.05512	13.2
69.03433	15.4
69.07074	5.0
69.49474	10.4
69.49899	5.9
70.06573	3.1
71.04991	12.0
73.02927	3.3
79.05473	10.4
81.03410	4.9
81.06582	3.0
81.07059	39.4
83.04982	7.0
83.08605	3.5
85.02913	36.3
85.06537	4.2
86.09713	5.1
90.09491	2.2
91.03943	2.6
91.05489	20.6
93.07053	27.3
95.01338	6.7
95.04958	8.1
95.08625	13.4
97.02890	25.0
97.06528	9.6
98.97607	2.8
99.04448	35.1
105.07036	38.9
107.04892	3.0
107.08605	22.6
109.06535	12.3
109.10161	39.8
111.08086	24.2
113.02374	5.5
117.07014	3.1
119.04926	2.4
119.08593	18.9
121.06498	6.5
121.10149	12.6
123.00789	9.2
123.08064	5.5
123.11720	14.1
125.05994	2.9
127.03952	2.9
131.08603	5.5
133.06490	5.1
133.10136	63.4
135.08084	3.4
135.11694	4.1
137.06033	10.9
137.09618	73.6
141.01822	7.3
143.03377	2.9
143.08556	8.4
145.04973	6.3
145.10110	9.5
147.08026	3.5
147.11687	19.8
149.09615	3.1
151.07578	11.8
151.11203	5.6
155.10645	23.4
161.09622	68.2
161.13252	6.5
163.11241	13.6
165.09108	36.3
165.12749	65.6
169.01326	7.3
179.10712	30.2
179.14339	5.4
183.10165	19.9
189.09140	24.3
189.12733	12.3
201.11214	76.5
207.10147	21.9
207.13835	36.3
225.11220	100.0
228.46129	2.4
239.08194	3.3
253.09723	3.5
309.08755	2.8
328.57672	2.7
345.10834	7.1
373.10089	4.6
404.16025	4.4
404.20294	3.7
404.24722	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	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32393	0.6
56.90964	0.7
56.96556	1.3
57.03429	0.8
61.02916	1.5
65.03927	0.8
69.03432	3.0
69.07078	3.1
70.06583	1.0
71.04996	0.9
71.25911	1.4
73.02925	1.2
77.03884	0.8
79.05495	1.0
81.03416	1.9
84.08147	0.8
85.02435	0.8
85.02911	10.7
86.09701	0.7
87.04454	1.5
91.05484	13.6
93.07054	0.7
95.05029	0.7
95.08599	0.8
97.02884	4.7
98.97587	4.0
103.04861	0.6
103.05496	0.7
109.02889	0.8
114.69302	0.6
115.03951	0.9
116.98640	0.8
118.04173	1.1
119.04947	22.1
119.08530	0.8
121.06498	0.6
121.10128	1.8
124.03966	0.6
127.03915	1.8
131.08598	0.8
132.02069	1.0
138.09178	0.8
143.00124	0.7
145.04962	1.5
147.04417	21.3
147.11795	0.7
149.02383	0.7
156.10187	3.2
157.03987	3.0
157.05125	0.7
157.63086	0.7
158.99661	1.3
164.04675	2.0
174.03261	0.9
175.03914	40.4
179.07048	2.2
180.08662	1.4
191.85924	0.6
192.04198	12.0
207.06538	100.0
208.06741	0.8
209.11761	1.0
219.01805	1.2
225.07591	41.0
249.02888	1.2
265.07562	0.7
283.08560	1.3
288.92953	0.6
291.03900	1.0
300.09659	1.1
307.08719	0.8
342.13181	0.7
358.08234	0.7
384.02017	0.6
404.16156	9.8
419.12241	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.01869	1.7
55.05508	7.6
57.03436	3.6
61.02926	1.9
61.73608	1.2
67.05509	10.7
69.03423	8.7
69.07059	4.5
70.07337	1.0
71.04989	3.7
74.38330	1.0
79.05479	6.4
81.07065	19.2
83.04977	8.2
83.08605	2.1
84.08138	1.2
85.02908	26.9
86.09697	1.6
87.04480	2.0
91.03983	1.2
91.05479	6.8
93.07041	13.6
95.01330	8.0
95.04996	5.4
95.08595	10.7
97.02900	14.0
97.06526	7.1
99.04454	11.5
99.08107	1.3
105.07038	16.3
107.08598	12.9
109.06509	15.8
109.10158	47.4
111.08090	9.0
113.02350	7.3
113.05986	1.6
117.07011	2.7
119.08582	13.6
121.06518	3.2
121.10142	17.6
122.02750	1.5
123.00803	14.2
123.08083	7.6
123.11706	19.9
125.02374	1.6
125.05997	7.5
127.03920	1.7
131.08548	1.9
133.06516	2.0
133.08640	1.1
133.10146	17.8
135.08080	1.7
135.11694	2.1
137.05989	2.7
137.09618	100.0
141.01849	7.9
143.03380	4.7
143.08554	2.6
145.05034	1.5
145.10136	3.8
146.92368	1.1
147.08006	2.4
147.11699	18.1
149.09616	7.0
151.07512	2.5
151.11183	3.4
151.80836	1.1
155.10674	25.7
161.09616	16.8
161.13229	6.6
163.11157	5.1
165.09119	46.9
165.12755	96.0
169.01283	9.3
171.11693	3.7
174.10388	2.4
179.10703	6.9
179.14304	7.0
182.85393	1.1
183.08630	1.6
183.10170	24.0
187.02390	1.8
189.09175	6.0
189.12718	16.3
201.11218	91.5
207.10329	5.3
207.13806	50.7
217.39056	1.3
219.12372	2.2
225.11206	25.9
257.02170	1.1
268.48218	1.2
327.10025	1.5
345.10944	2.0
360.17636	1.4
404.15897	1.7
404.20529	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	403.282
Annotation	Broussonetine I
Peak:m/z	Relative Intensity
55.26433	0.7
57.07056	0.9
63.88919	0.8
65.20126	0.8
69.83492	0.7
71.57008	0.8
81.07057	2.0
83.19923	0.7
91.05488	1.2
95.08601	1.1
95.37045	0.7
97.25974	0.9
101.06040	0.7
107.08620	1.3
119.08552	0.8
129.01817	5.0
139.00220	1.1
157.01352	2.6
171.13896	0.9
185.08144	2.1
201.94685	1.0
220.19307	0.9
259.15643	0.9
355.25623	1.0
371.25565	2.1
385.27145	51.3
386.27609	0.9
403.28259	100.0
404.28561	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	403.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.0
55.01869	4.7
55.05494	8.4
56.96568	18.5
61.02910	5.9
67.05497	5.4
69.03432	17.6
69.07058	5.5
70.02272	5.2
70.02632	11.5
70.06593	14.8
71.05007	3.5
72.08161	30.1
79.05486	5.3
81.03413	8.0
81.07046	7.1
83.04987	7.0
84.08167	4.8
84.96017	4.9
85.02910	31.2
85.06549	5.5
86.09714	26.3
88.04039	3.0
91.05482	20.8
93.07047	55.4
95.04980	7.5
95.08607	7.3
97.02881	12.9
97.06541	3.7
98.97588	43.4
99.04453	3.6
105.07040	7.3
107.08573	6.5
109.02886	4.2
109.06523	3.8
109.10172	4.4
110.97582	8.7
111.08092	3.2
112.99147	4.8
116.98602	14.5
117.07024	2.6
119.04907	8.7
119.08588	8.3
121.06514	100.0
123.04441	3.1
125.05959	2.6
127.03935	8.7
127.07559	6.5
128.98610	6.9
129.01810	6.6
131.00165	6.6
131.08582	3.2
132.10156	3.0
134.99731	3.0
135.08087	4.5
135.11697	3.0
137.05937	2.8
139.00290	2.4
140.98656	2.7
143.00179	5.7
143.11789	3.5
145.05002	4.7
146.99612	4.7
147.04395	10.1
147.08029	3.7
149.01263	4.0
149.09636	7.7
151.07542	4.2
153.09047	3.5
158.99655	14.6
159.11699	7.9
161.01231	3.7
163.11186	4.1
165.09134	3.1
167.07005	3.6
170.99698	6.3
173.01230	5.1
174.99255	2.8
175.03975	8.1
177.00772	11.8
177.12837	4.8
179.06990	9.8
187.11133	5.0
189.00755	3.9
189.12347	7.0
195.05132	3.4
197.04736	4.1
201.00761	3.6
201.12349	4.7
205.03595	3.1
205.12250	65.9
207.06581	20.0
215.05891	3.9
215.10480	3.4
219.01802	23.8
223.13280	27.0
225.07538	9.4
237.02847	22.9
241.07449	6.2
241.14290	5.8
252.28101	3.1
259.08478	3.1
309.97601	3.0
317.09125	46.2
335.10010	23.9
341.15131	4.5
355.08496	3.5
359.10193	16.9
375.05475	3.1
403.05493	5.6
403.09869	5.6
403.15387	26.9
403.19690	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	402.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09306	0.2
55.05487	0.6
57.07078	6.7
58.06602	1.4
59.10761	0.3
60.04488	0.3
67.05489	0.3
69.07047	0.6
69.18740	1.1
69.19167	1.9
70.06595	14.3
71.08629	2.6
72.08131	0.7
84.08141	0.3
85.10140	1.2
86.09674	0.4
87.61531	0.3
88.07632	20.3
93.07002	0.4
95.08549	0.5
97.06556	0.3
102.09179	12.6
105.07021	0.4
116.26161	0.3
119.01902	0.5
119.35844	0.3
132.10156	1.0
146.11696	0.6
149.02345	0.3
150.11223	0.9
158.93433	0.4
165.99643	0.3
189.43924	0.3
249.02356	0.6
267.03485	0.3
296.33057	0.9
314.34256	0.4
340.35745	43.0
341.36041	1.1
384.38376	3.2
402.39417	100.0
403.39850	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55989	2.9
55.05508	16.3
56.96566	17.5
59.04993	3.5
67.05486	4.6
69.03421	15.1
70.06594	3.9
71.55967	4.0
79.05497	17.2
81.03403	3.7
81.07059	6.5
83.04980	21.0
85.02879	6.8
86.09692	4.7
90.81025	2.5
91.05469	9.1
93.07031	7.4
95.04968	3.9
95.08606	5.2
97.02874	5.8
97.06528	24.3
98.97569	3.5
101.06017	14.2
105.07015	5.1
106.95383	2.6
107.04956	24.4
107.08576	3.3
109.10152	6.8
111.08054	3.4
115.05409	3.7
119.08569	3.8
121.06422	2.5
121.10143	6.3
123.04396	4.3
123.11541	2.4
124.05208	4.5
124.67067	2.4
127.03906	2.6
131.08568	7.9
137.05956	7.9
139.11188	80.7
141.06952	3.1
144.05687	4.9
145.06519	6.3
156.05626	6.6
159.08069	9.8
161.05920	3.0
163.11147	4.0
165.06996	2.7
167.07033	73.4
173.06023	5.7
186.06790	2.8
187.07649	5.7
187.80240	2.6
189.07001	3.1
191.08566	4.0
195.06523	3.2
203.08611	3.1
204.10120	4.4
204.19795	3.0
205.08603	12.3
207.06491	5.7
208.05092	16.2
208.08524	2.7
210.06868	2.7
211.07587	4.6
217.08652	19.2
218.07225	3.9
219.08032	18.6
219.10118	5.8
220.08778	5.4
221.06114	5.9
221.08466	7.2
221.15369	3.1
227.09444	3.5
229.08504	9.0
229.14307	6.3
230.07114	2.8
231.08061	7.7
233.09592	7.0
235.07587	4.7
236.04759	5.3
236.08188	5.9
239.09561	11.7
241.11179	4.9
247.07571	13.8
247.09683	14.4
248.08359	14.4
248.12671	5.8
249.05486	4.4
249.09247	2.7
250.06233	3.4
251.10626	3.6
254.05711	6.9
257.10526	3.9
259.07660	4.0
261.08987	7.7
263.10663	11.8
264.07828	7.3
265.08536	7.6
267.06448	9.9
269.08105	18.1
271.09399	5.4
272.06796	4.4
274.36456	2.6
275.07034	7.6
276.07721	7.3
277.08572	9.0
278.05856	3.2
279.10226	12.5
280.10605	3.5
282.08841	10.1
285.07706	3.2
290.09381	5.0
291.06726	3.5
291.10153	13.5
292.07352	6.4
293.08069	10.0
299.08920	4.6
307.09622	12.9
308.10397	9.5
309.11151	4.7
310.08456	5.2
315.08609	67.5
319.09628	9.5
321.07565	6.4
321.11090	6.1
323.12622	18.3
328.09552	3.2
330.10986	85.0
331.11630	9.6
336.09833	6.4
337.10587	8.3
337.16620	6.0
338.07843	3.5
339.12152	9.9
343.11670	23.0
351.12305	22.7
352.13028	6.2
353.10077	11.8
355.18082	5.7
368.12540	11.7
369.13300	5.2
371.14951	5.5
383.14825	100.0
384.18085	17.8
401.19571	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.6
55.01865	7.2
55.05508	38.8
56.62083	2.9
56.96548	4.8
57.03438	21.0
59.23759	3.2
61.02898	3.8
65.03937	5.0
66.87497	3.0
67.05174	5.5
67.05504	71.0
68.91936	3.1
69.03424	5.4
69.06731	3.7
69.07069	57.7
70.52998	4.2
70.53328	7.4
71.04985	6.0
73.02894	3.4
79.05487	61.0
81.03436	7.7
81.07060	100.0
83.04961	12.4
83.08629	23.3
85.06530	6.6
91.05486	44.2
93.07051	60.4
95.04957	11.7
95.08611	45.2
97.02908	4.3
97.06548	20.5
97.10172	20.9
99.08137	2.9
104.05880	3.2
105.07045	42.3
107.04953	8.7
107.08597	56.0
109.06505	7.0
109.10158	22.0
111.08054	7.2
113.06001	2.9
117.07034	21.0
119.08582	34.2
121.06507	6.5
121.10146	24.8
123.08018	7.5
123.11685	6.5
125.08852	3.4
125.09612	19.0
129.06984	4.3
131.08565	27.7
133.10133	33.1
135.08058	4.5
135.11699	24.9
141.06950	4.1
143.08597	3.5
145.10103	25.5
146.14522	3.0
147.08150	3.8
147.11728	22.7
149.09607	17.1
149.13237	20.5
151.11124	3.5
155.08427	4.8
157.10124	5.4
159.11694	18.9
161.13237	10.1
163.11159	9.4
169.10014	5.5
171.10184	6.9
171.11606	5.0
173.13219	8.7
177.12759	10.3
179.14368	4.5
181.12199	6.1
187.14888	4.0
189.11188	11.2
195.13799	6.6
197.13277	3.2
215.17982	3.6
227.12801	19.4
229.14377	3.8
229.19374	4.4
239.17989	7.7
245.13853	10.1
247.20612	6.2
255.15926	35.7
257.19077	16.3
269.17484	68.1
274.93558	3.3
275.20026	62.6
277.69437	3.5
286.20166	22.4
294.25177	3.2
343.11862	3.3
347.15219	6.7
349.23685	55.6
367.24777	11.5
384.11356	4.6
384.27628	7.5
402.12341	5.0
402.28409	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	401.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55989	2.9
55.05508	16.3
56.96566	17.5
59.04993	3.5
67.05486	4.6
69.03421	15.1
70.06594	3.9
71.55967	4.0
79.05497	17.2
81.03403	3.7
81.07059	6.5
83.04980	21.0
85.02879	6.8
86.09692	4.7
90.81025	2.5
91.05469	9.1
93.07031	7.4
95.04968	3.9
95.08606	5.2
97.02874	5.8
97.06528	24.3
98.97569	3.5
101.06017	14.2
105.07015	5.1
106.95383	2.6
107.04956	24.4
107.08576	3.3
109.10152	6.8
111.08054	3.4
115.05409	3.7
119.08569	3.8
121.06422	2.5
121.10143	6.3
123.04396	4.3
123.11541	2.4
124.05208	4.5
124.67067	2.4
127.03906	2.6
131.08568	7.9
137.05956	7.9
139.11188	80.7
141.06952	3.1
144.05687	4.9
145.06519	6.3
156.05626	6.6
159.08069	9.8
161.05920	3.0
163.11147	4.0
165.06996	2.7
167.07033	73.4
173.06023	5.7
186.06790	2.8
187.07649	5.7
187.80240	2.6
189.07001	3.1
191.08566	4.0
195.06523	3.2
203.08611	3.1
204.10120	4.4
204.19795	3.0
205.08603	12.3
207.06491	5.7
208.05092	16.2
208.08524	2.7
210.06868	2.7
211.07587	4.6
217.08652	19.2
218.07225	3.9
219.08032	18.6
219.10118	5.8
220.08778	5.4
221.06114	5.9
221.08466	7.2
221.15369	3.1
227.09444	3.5
229.08504	9.0
229.14307	6.3
230.07114	2.8
231.08061	7.7
233.09592	7.0
235.07587	4.7
236.04759	5.3
236.08188	5.9
239.09561	11.7
241.11179	4.9
247.07571	13.8
247.09683	14.4
248.08359	14.4
248.12671	5.8
249.05486	4.4
249.09247	2.7
250.06233	3.4
251.10626	3.6
254.05711	6.9
257.10526	3.9
259.07660	4.0
261.08987	7.7
263.10663	11.8
264.07828	7.3
265.08536	7.6
267.06448	9.9
269.08105	18.1
271.09399	5.4
272.06796	4.4
274.36456	2.6
275.07034	7.6
276.07721	7.3
277.08572	9.0
278.05856	3.2
279.10226	12.5
280.10605	3.5
282.08841	10.1
285.07706	3.2
290.09381	5.0
291.06726	3.5
291.10153	13.5
292.07352	6.4
293.08069	10.0
299.08920	4.6
307.09622	12.9
308.10397	9.5
309.11151	4.7
310.08456	5.2
315.08609	67.5
319.09628	9.5
321.07565	6.4
321.11090	6.1
323.12622	18.3
328.09552	3.2
330.10986	85.0
331.11630	9.6
336.09833	6.4
337.10587	8.3
337.16620	6.0
338.07843	3.5
339.12152	9.9
343.11670	23.0
351.12305	22.7
352.13028	6.2
353.10077	11.8
355.18082	5.7
368.12540	11.7
369.13300	5.2
371.14951	5.5
383.14825	100.0
384.18085	17.8
401.19571	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46663	0.5
55.01860	0.5
61.02906	1.6
61.60157	0.5
65.05337	0.5
69.03426	0.8
69.07059	1.0
69.54817	0.6
69.74306	2.8
70.06587	1.3
72.42783	0.6
73.02918	0.6
85.02900	1.9
86.09732	0.7
91.03947	0.8
97.02860	1.6
98.21430	0.8
107.04956	0.6
122.08836	0.6
125.82040	0.5
164.22186	0.7
167.07024	1.4
185.04282	1.0
195.08669	1.9
209.06516	0.5
213.09668	2.6
227.07614	2.4
231.10706	1.4
239.08913	100.0
240.09297	0.9
257.08755	8.8
315.08685	0.7
330.11124	1.5
339.17206	1.0
357.15076	0.8
383.15082	1.8
401.14163	90.3
402.14658	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3785
Annotation	N-hexanoylsphinganine
Peak:m/z	Relative Intensity
50.49158	0.2
51.88163	0.3
55.05515	7.7
56.05019	0.4
57.07077	2.0
58.06604	1.5
58.06843	0.3
67.05479	0.8
69.07072	6.3
70.06596	12.9
71.08621	0.6
72.08130	0.7
74.06067	1.0
77.00648	0.3
81.07076	0.6
83.08623	3.5
84.08147	0.4
86.09703	0.5
88.07635	24.4
95.08608	0.7
97.10159	1.2
102.09184	10.3
102.17334	0.3
115.04559	0.2
132.10194	1.1
146.11766	1.1
150.11220	0.6
215.17270	0.3
279.48193	0.3
292.78119	0.3
294.31583	0.5
312.06445	0.3
312.32498	0.3
338.34192	30.6
339.34695	0.4
375.52881	0.2
377.30933	0.3
382.36826	2.6
400.37869	100.0
401.38245	1.2
410.53555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80413	1.9
56.96569	23.2
57.03433	4.5
61.42030	2.2
69.03409	6.4
70.06608	3.9
71.55210	2.2
71.55560	1.9
75.86202	1.9
77.58559	1.8
79.05499	2.3
81.03410	3.9
81.07078	2.9
84.09578	1.8
84.96018	10.4
85.02912	13.6
87.04493	2.7
91.05505	2.3
93.07064	2.0
97.02888	8.3
98.97588	83.5
101.00897	11.4
103.05457	2.1
103.95216	2.1
107.08614	9.8
109.02872	4.2
110.97568	41.2
112.99134	6.5
116.98620	25.2
119.01914	16.4
119.08559	3.8
121.06527	3.4
127.02435	2.3
127.03923	5.4
128.98596	29.8
131.00256	4.0
131.01912	8.8
134.99664	6.5
136.06177	8.8
136.98486	4.2
137.05966	3.9
139.02380	2.9
140.00197	2.7
140.98595	4.5
143.00150	9.1
143.01892	12.7
145.03473	6.7
146.99652	13.4
147.03244	3.2
149.01270	2.4
149.05991	16.4
151.11194	2.4
152.98642	3.2
155.01846	12.6
156.03413	3.5
157.03471	7.9
158.99667	14.8
159.03210	2.1
159.59616	2.2
160.99110	9.5
161.01215	11.1
161.02953	13.0
165.00713	2.8
167.01846	6.0
167.06966	3.6
170.99689	10.4
173.01231	2.6
173.02966	15.6
173.06073	3.3
175.04469	2.7
177.00739	11.0
177.05487	4.5
179.00182	46.3
179.01910	4.6
185.02943	29.3
186.04489	4.1
189.00717	4.9
197.01254	66.0
197.02956	8.2
199.99959	2.6
201.00681	9.3
201.05582	5.0
203.04085	8.1
204.05534	3.2
215.02257	12.0
215.04059	4.6
219.01761	64.2
221.05070	3.1
227.04080	3.9
230.05173	3.0
237.02817	80.5
239.01920	8.9
245.05099	76.1
257.02820	9.1
257.05194	3.7
263.06171	6.6
275.02310	3.9
275.06128	14.0
275.08841	2.4
293.03497	2.4
293.07108	2.8
294.05701	3.0
305.03714	3.0
305.07101	5.7
309.15009	3.3
311.04501	2.9
319.13525	3.3
321.08231	2.9
323.04379	46.3
327.15762	3.3
335.08426	3.4
341.05438	39.3
341.09131	1.3
355.15384	6.3
359.06488	100.0
359.10968	5.3
365.09290	6.8
372.18024	2.7
382.08029	4.7
384.18045	40.0
401.07202	22.0
401.12817	4.7
401.20624	40.0
401.25446	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	401.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	43.0
57.67273	1.7
59.00593	1.7
67.81138	1.5
69.03407	3.1
71.19435	2.9
71.95257	3.1
72.95999	1.9
79.05498	2.5
81.03397	1.9
81.07047	2.8
83.04974	2.1
85.02901	2.4
91.05484	3.8
93.07035	3.2
95.08633	1.7
97.06519	10.5
98.97591	2.3
119.08576	3.1
121.10112	2.2
133.09938	1.5
137.06009	5.2
145.10143	1.7
163.11111	2.3
165.02266	8.9
183.03296	9.3
185.97653	1.7
195.06918	12.7
211.06442	2.1
213.07993	79.8
231.09056	66.9
236.09666	2.5
239.06085	14.8
239.09070	1.6
248.12924	4.0
249.10109	2.0
255.29474	1.6
257.06979	87.8
275.08014	49.8
280.08551	7.1
299.08032	3.0
325.12134	1.8
383.10159	4.4
384.18048	9.2
401.11655	100.0
401.20718	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	400.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95471	3.0
55.01877	5.6
55.05508	16.6
56.96551	11.7
57.03424	5.8
59.04987	3.2
59.06151	2.9
60.05624	5.1
61.02918	3.5
66.92654	3.0
67.05515	27.0
69.03410	11.0
69.07068	26.8
71.04965	4.6
71.07365	3.7
71.56343	5.8
79.05479	23.7
81.03424	6.4
81.07050	26.4
83.04989	4.1
83.08605	12.6
85.02898	4.6
85.06528	2.9
86.09716	18.2
87.88226	2.7
91.05479	20.5
93.07047	20.3
95.04976	7.5
95.08588	11.3
97.02872	6.6
97.06513	6.4
97.10177	8.4
105.07030	14.3
107.04940	9.3
107.08583	14.7
109.06506	4.7
109.10137	16.8
117.07015	11.1
119.08617	14.0
121.10142	10.0
123.08060	3.5
123.11610	4.5
125.09646	9.2
125.66784	3.0
131.08542	10.4
133.10158	14.9
135.08090	3.9
143.08522	3.6
145.10104	6.8
147.07938	4.9
147.11688	5.6
149.09573	3.2
151.11107	5.1
156.10234	3.5
157.10208	3.6
161.09554	3.9
163.01555	5.5
163.11238	3.1
165.09163	3.5
175.11101	4.0
179.48720	2.9
184.07201	3.4
185.13541	3.2
189.11240	5.5
193.12210	4.2
223.13275	13.4
227.12776	4.8
241.07462	8.2
253.14433	8.2
259.08578	6.4
260.08746	6.5
267.09097	4.8
271.15414	5.3
273.18494	11.9
291.19540	100.0
333.17230	3.4
365.23212	54.7
400.20877	5.0
400.32932	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	400.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.5
55.05507	5.3
57.03439	17.5
59.04995	3.8
60.04519	3.5
61.02918	6.0
62.85920	1.6
67.05498	2.6
67.64867	1.7
69.03431	69.1
69.07047	2.4
70.06580	4.7
71.10844	1.5
71.13059	3.9
73.02911	5.2
74.87657	1.6
75.04463	2.0
79.05511	3.2
81.03401	5.7
83.04979	10.9
83.08614	2.3
85.02906	91.8
86.06092	2.0
86.09727	2.8
87.04474	53.4
90.25005	1.6
91.03947	6.0
91.05469	2.9
93.07025	3.9
97.02895	64.4
97.06506	2.2
98.97571	2.7
99.04452	5.3
103.03937	2.6
105.07062	2.9
107.08593	4.4
109.02870	4.6
110.82237	1.6
111.04485	1.7
111.08077	5.0
115.03935	86.5
119.08507	1.7
120.08118	9.5
127.03922	18.3
128.12677	1.5
129.74292	1.7
133.04970	100.0
133.10167	2.1
135.11717	1.9
137.06007	4.4
140.07007	1.9
143.01898	5.0
145.04967	49.1
150.07643	10.2
151.03922	2.1
153.09113	6.5
158.62724	1.6
161.03023	3.9
163.06033	15.9
191.14285	2.0
203.07138	1.5
220.13326	5.4
238.10789	4.5
238.14383	5.0
251.14851	3.5
259.08170	4.4
277.09204	4.0
291.14499	5.0
295.10294	2.5
309.15530	4.2
400.17053	2.0
400.22162	2.8
411.18732	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	400.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32607	1.6
55.05502	3.0
56.96548	4.3
57.03438	21.6
59.04991	6.4
60.04511	1.9
61.02913	8.8
69.03432	67.5
70.06583	4.3
71.04982	2.7
72.08181	1.9
73.02907	6.6
75.04467	1.8
81.03432	7.9
83.04964	2.9
85.02909	96.0
86.09732	1.9
87.04470	50.9
91.03950	6.0
91.05473	4.0
93.07073	4.3
97.02893	66.9
97.03528	3.1
97.06559	2.5
97.28804	1.5
98.97562	3.3
99.04450	4.4
100.11234	1.8
103.03944	2.3
107.08582	2.2
107.22701	1.6
109.02859	4.9
111.37070	1.7
115.03934	79.6
120.08109	8.0
121.06512	18.3
123.04439	2.0
127.03931	23.3
133.04968	100.0
133.10114	4.7
135.04440	1.7
138.09155	3.1
140.07018	2.2
145.04955	37.9
149.09549	1.9
150.07631	8.8
151.03983	2.0
153.82184	1.6
163.06035	22.5
164.07065	7.4
171.07637	2.6
174.09187	3.4
177.05553	2.2
182.15381	3.3
187.09930	5.9
191.14244	2.0
192.04828	2.5
205.05409	2.3
210.14897	4.3
211.15373	4.3
213.07990	3.2
220.07834	4.1
220.13374	2.4
231.08946	2.8
238.08977	26.9
238.14345	15.3
241.07220	2.1
251.14882	4.6
257.06821	2.2
259.08194	4.7
275.08130	2.3
277.09268	3.5
295.10345	3.9
296.03445	1.7
296.26102	1.8
355.24124	2.8
383.14545	2.6
383.23441	2.1
386.06677	2.0
400.16705	2.4
400.21536	6.6
400.26443	4.0
401.10690	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20407	1.6
53.03939	2.1
55.05515	10.1
55.78292	1.4
56.96555	2.3
57.03421	6.5
57.07074	3.9
65.03910	1.5
67.05508	23.8
69.03429	9.2
69.07076	14.7
69.13680	1.4
70.06599	8.4
71.04972	3.5
76.62432	1.5
78.64097	1.5
79.05492	14.2
81.03423	3.0
81.07061	34.1
83.04982	8.1
83.08605	5.3
84.08146	2.5
84.36168	1.6
85.02898	9.3
85.06515	2.7
86.09705	2.4
91.05482	21.5
93.06471	2.4
93.07040	30.5
95.04967	3.8
95.08617	23.2
97.02904	2.9
97.06546	7.4
98.21476	3.1
98.97572	4.8
99.04449	3.3
103.05418	1.5
105.07039	40.3
107.08601	64.6
109.06548	11.9
109.10159	45.2
111.08051	3.7
117.07011	4.9
119.06021	1.6
119.08590	58.4
121.06496	4.5
121.10149	55.7
123.08083	15.9
123.11682	5.6
125.09620	3.2
127.08633	1.8
128.06161	1.7
128.54848	1.5
129.06976	3.8
130.06528	2.0
130.07706	1.9
131.08571	16.6
131.20299	1.8
131.39886	1.6
133.06494	2.7
133.10141	100.0
135.08081	8.2
135.10811	2.5
135.11714	23.4
137.09628	19.2
137.13231	1.5
142.07823	1.7
143.08546	7.2
143.23097	1.7
144.09300	1.7
145.04877	1.5
145.10136	18.2
147.04396	1.6
147.08037	4.0
147.11685	27.9
149.09624	29.5
149.13261	29.6
150.09151	13.2
151.11163	5.4
155.08194	2.5
156.09387	3.3
157.10149	5.5
158.10912	4.5
159.07957	1.8
159.09180	1.9
159.11694	16.1
161.09615	4.6
161.13251	12.6
163.11214	6.5
163.14810	4.7
165.12712	1.8
171.11687	8.4
173.13264	21.9
174.10486	2.0
175.11156	4.7
175.14841	42.9
177.12735	4.0
183.11743	2.9
185.13249	7.4
187.14783	8.8
189.12810	11.4
191.14323	38.4
193.12291	1.9
197.13022	1.6
199.07710	2.3
199.14793	1.7
201.12732	3.3
201.16339	10.3
203.14299	8.3
207.12041	2.1
207.13847	7.2
209.13327	1.7
209.15291	3.6
215.14244	2.4
217.15836	2.7
219.13791	2.3
219.17368	4.3
227.14325	1.7
227.17934	3.0
231.17494	4.0
237.18510	2.0
243.17419	6.8
245.18915	3.2
250.08913	2.1
261.18442	12.4
263.20169	2.1
267.21014	1.9
307.12021	1.7
325.25336	4.5
336.15915	5.5
338.17862	1.6
343.79532	1.6
359.09088	2.1
362.46487	1.5
363.26974	2.5
381.27899	8.1
382.11691	2.5
382.16528	36.3
383.16745	2.8
399.19168	18.5
399.28906	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	399.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01253	0.4
55.05509	1.2
56.96560	0.9
57.03433	0.7
57.07071	0.6
58.21315	0.4
60.39876	0.4
63.07422	0.4
67.05493	1.2
67.58707	0.5
68.87123	0.4
69.03432	0.7
69.07063	1.4
70.06583	0.4
71.56525	0.5
75.62018	0.5
79.05486	1.6
81.03436	0.5
81.07054	2.1
83.04990	0.6
83.08661	0.5
85.02893	1.5
85.10188	0.6
86.09704	0.7
91.05485	1.3
93.07033	1.9
95.04964	0.8
95.08596	1.0
95.18973	0.4
97.02879	0.9
97.06524	1.7
98.06852	0.4
98.97574	0.8
105.07027	1.1
107.08573	1.0
109.02875	0.8
109.06443	0.6
109.10153	0.8
119.08582	0.8
121.10136	1.1
123.11695	0.7
128.98656	0.5
129.05487	1.0
129.07013	0.5
131.08614	0.5
133.10149	0.9
135.08073	0.6
135.11748	0.7
137.02998	0.4
137.05928	0.9
137.09639	0.8
145.10135	0.8
149.05960	0.7
153.01888	1.0
163.11206	1.2
167.06993	0.5
184.07378	0.5
185.04210	1.7
187.21884	0.4
193.12222	0.7
219.13985	0.6
219.17455	5.0
231.08716	0.4
237.10985	100.0
289.17950	1.0
355.08038	1.6
381.09790	1.0
399.11151	3.5
399.16223	63.9
400.16440	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.238
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
53.03935	0.9
54.13609	0.4
55.01873	0.8
55.05504	2.2
55.83836	0.4
56.96559	1.0
57.03431	1.0
57.07067	0.9
61.02921	0.7
65.03936	0.7
66.13702	0.4
66.27636	0.4
67.05511	4.2
69.03442	2.5
69.07073	3.7
69.32530	4.2
70.06564	0.6
71.04985	1.0
71.08626	0.7
77.85909	0.4
79.05495	2.7
81.03406	1.5
81.07055	6.0
81.57475	0.5
83.04969	1.7
83.08601	1.1
84.96043	0.5
85.02915	6.5
85.06529	0.6
91.05460	2.5
93.07047	7.2
95.04974	1.1
95.08602	3.9
97.02876	2.3
97.06532	4.4
97.10152	0.9
98.23683	0.5
98.97582	1.3
105.07048	3.8
107.04978	0.8
107.08604	7.6
109.02917	0.8
109.06515	3.3
109.10163	6.6
111.04454	0.7
111.08061	1.4
117.06977	0.8
119.04951	0.5
119.08581	2.9
121.06487	2.0
121.10152	4.7
123.08072	3.3
123.11710	6.9
125.09606	0.9
127.03900	1.4
128.06192	0.5
129.06987	0.6
131.08554	1.6
133.10130	1.8
135.08055	4.9
135.11687	9.9
137.05960	1.7
137.09563	1.2
143.08662	0.7
145.04918	1.9
145.10126	3.3
147.04384	1.0
147.11703	2.1
149.09612	2.0
153.01839	6.4
157.10123	0.7
159.11710	3.0
161.09612	0.9
161.13243	1.1
163.06012	1.5
163.07411	0.7
163.09851	0.9
163.11189	15.1
175.03757	0.4
177.12741	1.4
179.08499	0.5
180.31741	0.5
191.17973	0.7
199.11034	0.6
201.09068	0.5
201.16402	1.2
219.17442	100.0
220.17783	1.5
237.18509	7.7
269.04614	0.6
270.05304	0.7
273.07471	1.0
311.05399	1.0
313.03494	1.3
351.23880	0.6
355.08136	10.4
377.62427	1.0
381.09506	1.0
381.23737	0.7
399.10730	8.1
399.16141	4.7
399.19769	0.7
399.25488	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	399.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	3.1
59.86600	0.8
62.45642	0.8
68.98299	1.1
69.03398	2.4
69.07065	1.6
70.06591	1.6
70.41233	3.3
71.08633	1.1
79.05489	1.1
81.03412	1.2
81.07052	1.8
84.96035	1.0
85.02901	3.9
85.06516	0.9
91.05468	4.8
97.02889	4.2
98.20876	1.0
98.97623	5.3
101.00889	5.9
109.02905	1.1
110.97578	1.3
113.00871	2.2
115.02472	1.4
116.98608	2.6
119.01943	9.2
119.04936	4.0
122.18568	0.8
127.02450	2.0
127.03889	1.3
128.98604	1.3
129.05505	1.3
131.01930	6.5
131.04829	0.9
136.06198	1.1
137.05974	18.1
143.01868	2.4
145.03470	9.6
147.01314	1.0
147.04433	1.4
155.01910	6.2
156.02681	3.5
157.03462	3.9
161.02986	5.7
163.02338	1.0
167.01895	1.4
168.02654	1.6
170.99643	0.9
173.03000	9.6
177.00674	0.9
177.03990	4.8
181.03482	3.7
183.05034	2.1
185.02962	5.8
192.02647	0.9
195.05040	36.7
197.02928	4.5
198.10033	1.0
203.04039	4.2
207.04956	1.8
210.03735	1.9
213.00642	2.8
213.06039	10.1
219.01750	4.0
219.05022	3.8
219.96460	1.0
221.04970	11.8
222.03636	1.4
225.06070	2.3
227.03889	1.4
228.02620	2.0
231.05042	5.0
231.07024	1.8
233.06586	1.7
237.02876	4.3
237.06071	8.7
243.05127	1.1
245.05070	10.2
246.03709	5.7
249.06116	10.1
250.09430	1.1
251.07713	3.1
255.07216	5.0
261.06024	2.5
263.06119	1.3
267.07120	2.6
269.08588	2.0
273.06000	5.8
274.09772	1.1
279.07025	3.1
281.08740	2.1
291.07092	14.1
294.05844	14.7
297.07999	1.1
306.11789	1.0
309.08212	11.0
312.06931	1.5
321.08243	3.4
338.91223	1.5
339.09253	100.0
340.09421	2.5
357.05716	2.4
357.10306	49.7
380.11682	3.7
399.07358	1.3
399.11740	15.5
399.19913	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	399.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	2.8
61.02902	0.6
62.03772	0.6
69.03425	1.7
69.41834	4.4
70.06580	2.0
74.28568	0.6
74.82679	0.6
84.08147	0.7
84.96058	1.4
85.02891	4.2
86.06000	0.8
95.31937	0.6
97.02901	3.1
98.97589	8.4
101.05995	0.7
109.02922	1.0
110.97578	2.5
116.98616	2.6
119.01929	0.9
127.03931	0.8
128.98611	2.2
131.01894	0.8
136.06209	2.2
136.38316	0.6
137.02330	2.0
137.05972	1.4
143.00150	1.7
145.04996	0.7
147.03235	0.8
147.04430	0.8
147.59489	0.6
155.01959	1.0
158.99643	1.3
161.01228	1.3
167.07072	0.8
170.99686	0.8
177.00629	1.2
179.06958	0.7
189.00734	0.7
192.37849	0.7
194.99760	1.2
195.01416	3.6
201.00764	1.3
213.00682	1.8
213.02487	1.0
219.01752	5.2
227.02322	1.1
227.06668	0.7
228.05714	2.6
231.03566	1.3
237.02718	5.4
245.02773	0.6
250.09479	1.0
255.03633	2.1
271.76221	0.7
279.03693	1.2
291.03537	1.0
321.04636	0.9
339.05835	5.9
339.09448	1.1
343.12390	0.7
357.06616	6.8
357.10083	0.8
399.06674	4.4
399.12628	100.0
417.07019	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92340	1.1
55.01844	1.4
56.96566	43.0
58.02979	1.1
59.40866	1.2
61.02923	2.7
69.03432	3.9
69.73099	6.7
70.06606	3.0
71.08627	2.1
71.95247	1.8
72.70758	1.1
73.02926	1.6
77.42328	1.2
81.03415	1.4
84.08137	1.3
84.96040	15.8
85.02903	8.7
91.05502	1.4
97.02878	7.3
97.06538	1.3
98.97585	100.0
101.00899	2.0
102.05550	1.9
102.97134	1.2
109.02879	2.2
110.97568	27.2
112.65637	1.3
112.99144	6.4
115.97796	1.4
116.98621	41.9
119.01920	2.9
124.99126	4.0
126.97033	1.9
127.03928	3.4
127.67101	1.3
128.98605	26.1
129.05545	1.3
131.00182	7.3
131.01866	2.9
134.99660	10.3
136.06192	2.9
137.02325	1.8
137.06004	1.5
140.06990	1.2
140.98587	3.3
143.00183	16.6
144.98087	4.4
145.01743	1.3
145.03435	1.8
145.04965	2.0
146.99643	10.4
147.03139	1.7
149.01253	4.1
156.03587	3.2
158.99638	14.3
161.01227	25.6
161.02690	2.2
162.99182	2.8
165.00729	1.6
169.01758	1.6
170.99695	8.9
173.01389	1.4
173.02879	2.8
174.99158	2.2
176.98660	3.2
177.00706	13.7
179.02303	3.8
180.07449	1.4
182.99661	3.1
185.02957	1.8
189.00766	6.8
194.99658	15.2
195.01476	5.4
197.02879	2.6
201.00737	11.6
208.75400	1.3
211.02562	1.2
213.00697	51.8
213.02400	2.8
219.01756	52.7
221.04933	1.5
227.06735	2.9
228.05716	15.0
228.55949	2.2
231.01663	22.5
231.03539	2.8
237.00729	2.5
237.02803	62.5
242.03334	2.8
250.09401	3.2
255.01717	4.7
255.04053	7.0
261.02750	4.0
264.03067	1.2
273.02914	1.5
279.01575	3.4
279.04117	2.8
281.03186	2.2
283.02811	1.3
291.01791	5.4
297.04825	2.2
309.02899	1.6
321.02649	1.8
333.26477	1.6
339.04318	19.6
357.04834	31.7
375.05832	3.5
399.06030	76.8
399.12534	53.7
399.18018	2.5
417.06912	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	399.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	2.1
57.03443	1.4
69.03414	3.1
69.07060	3.2
70.06577	1.7
70.67064	2.0
70.67396	1.3
71.08631	1.4
74.75027	1.1
79.01859	1.1
81.03433	2.0
84.08154	1.1
85.02898	6.7
87.08118	1.5
94.75051	1.0
97.02877	11.0
98.97576	5.6
101.00877	8.7
101.06015	1.0
105.09164	1.6
109.02884	2.0
111.04433	1.4
112.99164	0.9
113.00881	2.7
113.57149	1.0
115.02374	1.4
116.98633	1.9
119.01920	9.8
127.02412	2.8
127.03943	1.9
131.01935	5.9
131.04930	1.2
137.02321	25.2
137.03278	1.6
137.06001	3.5
139.02437	1.2
143.01965	1.9
145.03493	12.8
145.04613	1.5
155.01892	8.5
157.03477	5.4
158.99442	1.1
161.02982	3.1
163.04553	1.9
167.01907	2.9
169.03453	3.4
173.02998	6.1
177.00272	5.1
183.01413	1.4
185.02989	4.9
185.44351	1.0
189.00668	1.0
193.03522	1.8
194.99590	1.8
195.01393	36.0
195.05081	3.1
203.03975	5.3
211.04512	1.6
213.02441	18.9
213.05995	1.1
219.01472	9.4
219.05122	1.8
221.02945	2.8
221.05096	4.9
231.01407	3.8
231.03481	25.7
233.02972	3.0
237.02487	12.3
237.06105	1.9
239.04121	3.3
245.02878	2.2
245.05136	3.5
246.03738	1.3
247.04645	2.3
249.02515	2.8
250.09447	1.5
251.04041	4.2
255.01050	1.3
255.03516	17.3
261.02530	3.3
263.04059	3.7
267.03598	1.4
269.05048	7.4
273.02429	4.7
279.03510	10.1
280.07626	1.0
280.19687	1.1
281.05096	5.3
285.04752	1.9
291.03497	19.5
291.06656	1.1
294.05783	1.9
295.06525	2.3
297.04584	4.1
299.06262	1.4
309.04572	4.3
321.04611	8.4
327.05655	1.5
327.62106	1.2
339.05615	82.5
339.09241	8.5
340.05826	1.7
357.06656	100.0
358.06705	2.2
380.08331	4.9
399.07776	4.8
399.12698	5.5
399.19739	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	8.2
56.05030	2.6
57.07082	3.6
58.17461	1.2
60.04530	100.0
62.43702	1.3
65.03958	1.4
67.05511	12.5
68.05031	1.7
69.07069	10.3
69.77155	2.9
69.77558	3.9
70.06599	1.4
71.08627	3.2
72.04528	3.0
74.06076	4.5
79.05494	7.9
81.07058	18.4
83.08607	7.3
84.08131	1.8
85.06519	1.3
85.10193	1.6
86.06068	1.5
86.09714	9.3
91.05482	5.2
93.07045	7.9
95.08607	13.4
97.06517	3.0
97.10148	1.6
100.11270	2.0
105.07056	4.4
107.08598	4.7
109.10173	4.5
110.09673	3.2
111.08132	1.4
119.08588	4.0
121.10153	4.3
121.57377	1.2
123.08067	1.2
123.11732	1.9
125.00034	5.8
131.08563	1.2
133.10133	1.7
135.11639	1.6
144.13850	37.9
157.10100	1.3
184.07381	17.6
205.70592	1.2
250.25365	1.9
262.25247	2.5
280.26324	22.8
298.27405	33.0
299.27429	1.5
377.76126	1.4
380.35132	2.2
398.22119	1.9
398.27295	3.2
398.36282	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9769
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	5.4
58.95687	0.2
70.00604	0.8
71.95274	2.2
90.12163	0.2
98.65259	0.3
98.97587	83.5
116.98627	34.4
130.93285	0.5
134.99667	7.8
135.29263	0.2
140.00214	0.8
153.00694	0.3
172.94356	4.8
176.90881	0.2
181.50105	0.2
190.95377	2.1
197.95157	0.6
201.35684	0.2
208.96472	0.5
214.95399	3.7
232.96451	5.9
232.98604	0.5
240.98857	0.4
250.97527	2.2
256.96451	20.1
257.96915	0.3
258.99799	3.6
274.97516	100.0
275.97888	1.0
276.98074	0.4
277.00806	2.8
283.00110	0.6
292.98572	45.5
297.99115	2.3
298.97769	0.4
301.01080	0.5
316.00146	1.0
334.99716	0.3
398.97580	2.5
416.93832	0.4
416.98798	3.9
421.65027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
57.07072	0.7
59.36878	0.3
60.04530	1.5
65.03931	1.3
68.42995	0.3
70.76296	0.8
79.05501	0.4
81.07037	0.7
83.90318	0.3
85.10195	1.8
87.04478	0.5
93.07028	0.5
95.08619	0.6
111.04433	0.5
112.41351	0.3
116.85223	0.3
121.02870	4.6
121.03951	0.8
121.06486	0.4
121.10149	0.3
144.13882	0.5
149.02348	100.0
150.02744	0.6
164.07024	0.4
167.03386	1.0
190.04950	1.1
224.07072	0.5
225.05455	0.8
233.11714	0.7
239.09511	0.4
240.10190	2.4
250.08463	0.4
252.06633	1.0
266.08112	1.5
267.08926	1.0
268.09775	1.0
296.12814	4.7
297.12814	0.4
316.88724	0.3
369.54532	0.4
398.23236	9.3
398.36096	0.6
398.43677	1.3
399.30756	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54842	1.6
55.01859	2.2
56.05045	2.2
56.96569	2.5
57.03439	23.4
59.04993	5.1
60.04516	3.2
60.08153	5.9
61.02916	6.7
61.84647	1.6
63.10947	1.6
67.05492	5.5
69.03432	78.3
69.07070	51.4
70.06574	5.0
71.01353	1.6
71.04986	2.0
71.56241	2.1
72.08130	2.4
73.02910	9.1
73.06551	2.6
79.05501	4.0
81.03402	7.4
81.07048	4.4
84.08141	3.3
85.02908	91.0
86.09717	12.6
87.04472	51.5
91.03951	2.9
91.05456	4.3
93.07043	4.3
95.04968	2.1
95.08588	5.9
97.02896	68.2
97.03526	3.3
97.06516	2.2
98.97578	9.0
99.04454	6.6
104.10748	27.1
105.07022	3.0
107.04976	2.2
107.08577	3.2
109.02867	5.8
109.06491	3.0
111.08084	3.7
115.03932	85.9
115.07557	2.4
116.98626	1.7
117.18841	1.7
119.08609	1.8
120.82202	1.7
121.10130	2.4
123.08086	1.7
124.99996	4.3
127.03917	14.9
127.14549	1.7
131.04924	5.6
132.04417	2.3
133.04968	100.0
135.08105	2.2
145.04968	33.3
149.05949	2.0
150.07613	11.1
153.09091	2.5
163.06018	16.9
163.07428	4.0
165.09117	4.2
169.04903	2.2
173.13211	1.8
177.05521	2.5
178.53252	1.6
183.10110	2.0
184.07356	21.4
189.18115	2.0
201.11235	5.5
215.57504	1.9
223.06139	3.6
236.14964	2.0
241.07079	2.8
259.08167	5.9
277.15549	2.2
290.17551	8.0
291.03714	1.8
292.15421	2.1
295.10242	4.1
300.15823	1.7
318.17050	2.3
331.61328	2.0
336.17871	7.7
362.19519	2.4
380.20316	2.8
389.95334	1.6
398.13986	4.1
398.22067	15.5
422.01456	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87057	1.7
53.03936	2.0
55.05495	2.9
56.96570	2.0
57.03443	19.7
59.04993	3.2
60.04523	2.2
61.02916	5.5
67.05494	3.1
69.03434	66.4
69.06725	2.9
69.07072	41.2
70.06580	8.2
71.04961	2.0
71.35752	3.5
73.02913	3.8
75.04446	2.2
75.80859	1.8
79.05477	3.0
79.69137	1.8
81.03402	6.4
81.07029	3.4
83.08606	2.7
84.04475	2.5
84.08141	4.8
85.02911	75.8
86.09698	8.3
87.04472	51.9
91.03963	3.3
91.05489	3.1
93.07034	4.2
95.08601	3.2
97.02898	59.8
97.06543	1.8
98.97571	6.0
99.04455	3.5
99.08052	1.7
104.10756	18.4
105.07005	2.5
107.08564	2.8
109.02892	3.2
109.06553	2.3
111.08128	3.8
115.03938	80.2
119.08595	2.4
121.06470	2.0
123.08101	1.7
124.99963	3.8
127.03899	16.2
131.04892	4.4
133.04973	100.0
137.09637	2.8
145.04979	37.0
145.10092	2.7
150.07610	15.6
153.08961	2.7
158.99614	1.7
162.95631	1.7
163.06088	15.5
163.07481	3.7
165.09102	6.1
173.13351	2.0
183.10167	5.6
184.07361	12.8
201.11243	5.8
241.06982	2.1
249.13547	2.0
259.08109	5.6
277.09286	4.7
277.15463	3.7
290.17682	3.9
292.15292	2.4
295.10175	3.8
298.83112	1.8
302.17889	2.0
318.17044	2.6
336.18088	4.0
362.19449	2.7
378.29260	1.9
380.20535	2.9
398.22269	12.6
399.15762	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	397.383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72277	1.9
55.05511	12.9
57.07072	15.8
57.12865	1.9
60.30317	1.9
67.05502	28.1
69.07072	32.8
70.91093	5.9
71.08639	17.0
79.05487	13.0
81.07056	56.1
83.08606	15.3
85.10182	13.6
91.05481	16.5
93.07036	26.5
95.08612	51.9
97.10161	15.9
105.07030	28.6
107.08604	25.3
109.10149	35.7
111.11716	8.8
119.08581	26.0
121.10130	16.3
123.11723	16.5
125.13295	2.6
131.08585	3.1
133.10132	19.5
135.11684	38.0
137.13187	5.3
138.13791	2.0
140.84511	1.8
145.10106	4.8
147.11685	58.7
149.13263	13.8
151.14813	3.6
159.11720	6.2
161.13266	35.0
163.14812	7.9
165.16415	3.0
171.03415	2.2
173.13200	4.0
175.14812	17.7
181.78464	2.0
187.14734	4.6
189.16360	10.6
201.16420	6.6
203.17935	7.4
207.21098	2.4
215.17957	9.6
217.19478	3.3
229.19493	5.9
236.99773	2.1
243.21132	8.4
257.22607	6.4
261.25778	4.9
287.27481	5.2
315.30295	5.5
342.13382	2.1
397.38281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99067	0.8
55.01873	1.1
55.05502	1.6
55.56291	0.7
56.96563	0.9
60.75077	0.7
67.05492	1.7
69.03423	1.6
69.07052	1.2
69.27157	6.4
73.67529	0.7
79.05470	1.7
80.17604	0.8
81.03414	2.2
81.07043	2.3
83.04993	0.9
84.08131	1.4
85.02892	2.9
91.05466	5.7
93.07049	2.4
95.04967	1.9
95.08601	1.0
97.02889	1.0
97.06517	2.9
98.97582	1.8
102.86233	0.7
105.07008	5.3
107.04953	1.9
107.08578	2.7
109.06570	1.0
115.05462	1.2
116.98612	1.0
117.07021	1.1
117.68161	0.7
119.04919	2.0
119.08603	3.8
121.06462	1.8
121.10149	1.1
123.04401	1.2
129.07024	1.3
131.04933	1.2
131.08585	2.8
133.06506	0.9
133.10144	1.8
135.04402	0.7
135.11728	0.8
137.05977	3.2
141.07014	1.1
143.08566	3.0
145.06458	1.4
145.10013	0.8
147.04500	1.1
147.08015	1.2
149.05989	2.2
153.06926	0.9
155.08549	1.9
158.99620	0.9
159.08005	1.6
161.05983	2.1
162.91687	0.7
163.07568	0.9
165.07021	3.1
166.07716	1.4
167.08607	2.0
171.08099	1.2
173.06024	1.6
176.10732	1.2
177.05446	1.4
178.07703	0.8
179.08525	3.1
181.06503	1.9
181.10062	1.8
187.07550	1.4
189.05453	1.3
189.08948	1.0
190.07794	1.4
191.08559	4.9
193.10150	2.5
194.07309	0.9
195.08121	2.1
197.09731	0.9
199.03836	1.0
199.07510	1.1
201.05545	1.2
201.09071	1.1
202.07816	1.8
203.03510	1.2
203.08525	3.8
204.09326	2.2
205.06548	2.1
205.10176	2.5
206.07233	1.4
207.08032	4.0
207.11757	0.9
208.08830	1.8
209.06018	1.4
209.09596	3.8
211.07591	1.7
213.05586	1.4
215.08606	1.4
216.09406	1.1
217.10182	1.4
217.15921	1.4
218.07198	1.9
218.10797	3.6
219.08023	7.2
220.08913	1.3
221.04428	1.0
221.09660	2.0
222.10437	1.4
223.07655	5.5
223.11292	1.0
224.08260	1.5
225.09198	0.9
227.06935	1.1
228.09375	1.4
231.08104	4.8
231.11830	1.1
232.08813	5.1
233.06021	0.8
233.09753	3.9
233.13312	3.2
234.10426	1.5
235.07542	3.6
235.11183	1.0
236.08392	2.9
237.05482	3.1
237.09070	6.0
239.07005	2.0
239.10559	1.0
243.11746	1.7
245.06015	0.8
245.09447	1.7
246.10382	3.3
247.07561	4.3
247.11197	2.9
248.08247	1.5
249.05522	1.5
249.09137	2.2
250.06395	1.3
250.09822	2.8
251.07036	6.7
251.10774	1.7
251.14313	1.5
252.04102	1.5
252.07761	2.0
253.08664	3.3
259.07642	1.5
260.08298	4.5
261.09192	2.7
261.12759	8.6
263.07037	5.0
263.09854	0.8
264.07877	2.8
264.11505	2.3
265.05002	4.1
265.08615	11.6
265.12195	2.6
266.09265	1.0
267.06512	1.8
271.11200	1.3
274.09952	2.3
274.15054	1.2
275.07166	1.5
277.08621	3.5
277.12024	1.0
278.05807	2.4
278.09354	5.8
279.06635	7.3
279.10211	2.1
279.13751	9.5
280.07297	8.9
281.08084	5.8
281.10846	0.9
283.13211	0.8
288.07770	1.3
288.12634	0.8
289.09164	1.4
289.12170	7.5
291.06577	1.7
292.07303	5.6
292.10562	1.4
293.08096	11.4
293.11642	2.7
295.13425	3.0
303.17770	1.3
305.08105	1.4
305.11481	1.3
306.08929	2.3
307.13287	27.0
310.10782	1.1
317.11655	3.7
321.18945	2.1
323.12698	5.2
324.15967	1.8
335.12775	66.1
340.15698	1.3
352.15436	14.5
362.13971	1.0
379.14984	1.7
380.09924	1.0
380.14938	34.9
397.17569	100.0
398.17960	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50362	1.0
52.45929	1.2
53.03933	1.6
55.01849	1.2
55.05510	3.8
56.96560	1.7
57.03430	2.5
60.92491	1.1
61.02921	1.6
67.05485	3.9
69.03413	4.6
69.07066	3.5
70.81634	3.2
71.04993	2.0
79.05478	4.2
81.03432	2.7
81.07047	5.2
83.04967	2.0
83.08646	1.2
84.08136	3.6
85.02918	6.3
85.06548	1.4
91.05473	10.2
93.07036	5.7
95.04967	3.0
95.08607	3.9
97.02887	3.3
97.06528	9.1
97.10147	1.4
98.06867	1.9
98.08427	1.4
98.97601	3.5
103.05465	1.2
105.07027	5.4
107.04945	2.8
107.08578	3.5
109.02888	1.5
109.06476	2.3
113.10763	2.5
116.98609	1.8
117.07004	2.9
119.04939	1.8
119.08569	2.9
120.08126	1.5
121.06499	2.4
121.10146	2.6
123.04427	2.5
123.08027	4.9
127.03920	2.1
128.06212	2.3
129.07008	2.3
131.08583	4.7
133.10112	3.4
135.08026	1.7
135.11658	1.6
136.07524	2.0
137.05984	14.4
141.06961	1.5
143.08540	3.0
145.06483	1.6
145.10143	2.9
147.04422	2.1
147.08057	2.8
147.11646	2.4
149.05975	2.6
149.09558	2.9
151.07516	3.1
153.07019	1.5
155.08585	1.7
157.10086	1.8
159.08072	2.1
161.05954	2.7
161.09489	2.0
165.07031	2.3
167.08652	1.7
171.07997	2.7
173.05992	2.3
175.07516	2.3
176.07059	1.3
176.10762	2.5
177.07814	2.9
177.11140	1.6
178.08047	4.4
179.08540	3.5
181.06456	1.9
187.07584	1.9
191.07101	1.4
191.08588	5.4
195.07996	2.3
197.06044	1.6
198.06776	1.6
199.07623	1.6
201.09230	1.6
202.12372	1.6
203.08624	2.4
203.12535	3.1
204.09486	1.4
205.06508	1.7
205.10295	2.9
207.08087	3.1
207.11983	1.8
209.05930	1.7
209.09579	3.5
211.07573	2.6
213.09196	2.2
215.10657	1.3
216.09915	1.5
217.15929	6.1
218.07294	2.5
219.08162	7.7
220.08833	1.4
221.09718	3.0
223.07498	3.1
224.08266	3.2
225.09164	3.7
228.09361	1.4
231.08133	3.3
232.08829	4.2
233.09637	3.6
233.13280	3.3
235.07535	3.4
236.08205	1.6
237.05399	2.5
237.09134	4.1
239.07121	2.6
245.09706	2.2
246.10481	3.7
247.07542	4.0
249.05627	1.5
249.08890	1.5
250.06264	1.8
250.09848	4.5
250.14502	1.3
251.07051	5.1
251.10820	2.2
251.14366	1.6
252.09500	2.5
258.14954	2.0
259.07571	1.7
259.15149	5.1
260.08209	3.3
261.09082	1.5
261.12857	7.0
262.09512	1.6
263.07022	5.3
263.10339	1.6
264.07767	3.5
264.11319	1.4
265.04984	4.2
265.08627	11.5
265.11377	1.8
265.11884	1.5
267.06506	1.7
267.09799	1.6
271.11206	1.5
273.11157	4.9
273.13754	1.8
274.09671	1.7
274.14005	5.3
275.10587	1.5
277.08661	4.0
277.12228	1.6
278.05945	2.4
278.09381	6.9
279.06519	5.6
279.10519	1.8
279.13791	10.2
280.07245	7.9
281.08014	5.7
288.07709	2.0
289.09274	1.3
289.12213	8.3
291.13806	1.3
292.07315	4.5
292.10452	1.7
293.08078	11.4
293.11472	3.1
295.13257	2.5
302.17435	5.2
303.17825	31.2
305.08099	1.7
305.11398	1.5
306.09024	2.0
306.16568	2.8
307.09796	1.9
307.13239	23.4
317.11633	3.4
320.18613	1.6
321.19052	3.4
323.12659	5.8
334.14340	1.5
334.20209	4.9
335.12814	54.3
335.20444	43.1
351.12061	1.6
352.15390	12.5
361.22369	2.4
379.15436	2.4
379.23111	10.9
380.14951	26.8
397.17447	100.0
397.23969	43.4
398.17371	1.4
398.22406	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05261	1.1
55.05511	11.5
56.05037	4.8
57.07083	2.0
60.04526	100.0
61.41790	0.5
67.05502	12.8
67.05834	0.9
68.05054	1.1
69.07074	7.6
69.23579	1.1
69.23985	4.8
70.06596	2.0
71.08646	1.4
72.04523	3.2
74.06097	1.9
79.05494	6.2
80.05025	1.2
81.07057	13.2
82.06583	3.3
83.08620	10.5
84.08163	0.8
86.06099	0.8
90.05571	2.0
90.26031	0.6
91.05489	3.8
93.07052	5.4
94.06594	1.6
95.04983	0.9
95.08613	10.8
96.08148	1.3
97.06566	1.0
97.10184	2.6
98.06026	0.7
98.09702	1.5
98.20804	1.2
105.07017	2.0
107.08593	3.1
108.08107	1.1
109.10179	2.6
110.09659	1.2
112.07632	1.1
112.11272	2.3
115.46109	0.6
118.73023	0.6
119.08584	2.0
121.10164	2.1
122.09630	1.1
123.11723	1.2
124.11232	1.0
133.10150	1.8
135.11746	1.0
136.11333	0.7
140.10735	1.6
142.12276	34.4
147.11789	0.6
161.25580	0.7
203.44934	0.7
245.22725	0.8
250.25410	1.7
251.23753	1.2
262.25366	1.5
268.26492	1.4
280.26349	21.7
298.27399	30.4
316.93759	0.7
378.33752	2.5
396.34723	63.9
397.35229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03400	1.2
57.55358	0.5
59.42833	0.4
61.00148	0.5
69.07082	2.9
69.26743	1.4
69.27149	3.5
69.72054	0.5
79.05467	1.2
80.45747	0.5
81.07034	0.6
97.06535	10.7
105.07013	0.6
128.06166	0.6
129.09096	0.6
131.08507	0.6
135.35100	0.5
137.05913	1.2
143.08517	0.7
143.10092	0.6
147.06821	3.6
147.07829	0.8
157.06622	0.6
158.09464	0.6
159.07990	1.5
160.11234	0.9
162.05415	0.5
164.07024	1.9
171.07999	0.9
172.11229	0.9
173.09671	0.8
174.32603	0.6
175.07524	0.8
176.07007	2.1
176.10678	3.7
177.07848	14.1
177.09322	1.1
179.10661	0.9
185.09645	2.0
187.07553	0.9
188.10670	1.4
189.09250	1.1
189.11359	0.7
199.07536	1.4
201.11502	1.0
202.12242	8.0
203.10782	0.7
204.10184	4.2
205.10973	1.9
206.11711	2.3
213.12889	0.6
216.10176	1.7
217.72168	0.5
222.16975	0.5
229.10788	3.6
230.15393	4.7
231.13867	3.8
241.12234	1.4
244.13043	0.6
257.15341	0.7
258.14920	14.1
258.17667	0.9
260.12683	0.6
273.13599	10.9
275.16205	0.7
284.16431	0.7
285.14886	1.0
302.17499	85.8
303.17813	1.9
305.16214	6.5
316.19031	3.6
328.19122	3.8
332.22263	0.8
334.20114	100.0
335.20493	1.5
344.12442	0.6
346.20093	2.0
352.94424	0.5
360.21686	9.7
378.22772	25.3
379.23068	0.7
396.23822	71.5
397.17816	0.8
397.24100	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05921	0.5
58.06541	0.6
59.74943	0.6
60.65369	0.5
69.07020	2.0
69.81587	3.3
74.85238	0.6
79.05448	1.4
91.05453	0.5
97.06529	6.5
98.21426	0.6
111.81304	0.6
122.02086	0.5
129.09088	0.7
143.08554	0.8
147.06793	6.5
149.05908	0.8
159.07988	1.8
159.34969	0.6
160.11131	1.0
173.09618	1.1
176.07001	2.2
176.10707	4.2
177.07779	6.2
177.09184	1.0
179.10568	0.9
185.09561	1.8
187.07533	0.7
188.10632	1.8
189.09100	1.1
199.07559	0.9
201.09151	0.6
202.12254	9.9
203.10625	0.8
204.10219	4.1
205.10992	1.6
206.11781	2.1
213.12735	0.8
216.10161	1.9
229.10831	3.2
230.11691	0.6
230.15331	4.2
231.13759	4.2
241.12241	1.2
258.14893	17.2
260.12714	1.5
273.13583	15.8
274.14038	0.6
275.16394	0.6
284.16483	1.2
302.17502	84.7
303.17883	1.5
305.16165	6.7
316.19077	5.5
328.19128	2.2
332.21826	0.7
334.20120	100.0
335.20505	2.1
346.20184	1.7
360.21741	10.0
378.17981	1.3
378.22754	22.3
396.23853	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48132	0.9
55.01873	1.5
56.73770	1.0
57.03418	1.0
60.79700	0.9
67.05493	2.5
67.68294	0.7
69.03430	5.3
69.07072	1.2
70.95068	1.7
74.17858	1.2
79.05492	11.1
81.03403	1.1
81.07070	2.3
83.04980	1.8
84.94274	0.9
85.02908	7.2
85.29327	0.8
91.05485	2.6
93.07029	4.1
95.04967	4.4
95.08597	2.5
95.64046	0.9
97.02888	2.7
97.06525	1.8
98.97591	1.2
99.04469	1.4
105.07020	1.6
107.05013	0.9
107.08597	13.3
109.06536	2.5
111.04440	2.2
111.08101	1.2
113.09648	8.0
115.03932	3.1
117.07019	3.5
119.08609	1.4
121.06550	0.9
123.04440	5.3
123.08145	1.0
125.09605	1.4
127.03959	1.2
135.08060	16.2
137.00563	0.8
141.05473	43.3
145.05000	1.4
151.07556	1.1
153.09103	7.5
163.07558	42.9
169.08684	1.0
171.10210	2.8
174.42200	1.0
181.08597	23.8
185.11794	1.0
199.09666	100.0
217.10748	15.0
221.52435	0.9
229.11009	4.7
234.11301	2.7
258.14902	8.2
302.17484	5.3
334.20062	5.5
378.22702	2.2
396.23956	10.9
409.58609	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01880	2.0
55.05505	5.0
56.05016	1.4
56.54104	1.5
56.96563	3.1
57.03423	3.2
57.11985	1.6
58.06599	2.6
59.04992	1.7
61.02930	7.3
69.03432	19.3
69.07064	8.6
70.06587	5.0
71.04987	4.6
71.16589	1.4
71.55933	1.7
72.04509	2.2
72.08163	5.1
72.35593	1.5
73.02908	4.3
79.05510	3.5
81.03416	9.4
81.07048	5.4
81.27233	1.5
83.04981	2.0
84.04498	2.2
84.08145	3.6
85.02911	54.2
87.04476	4.7
90.05555	15.2
91.03963	5.6
91.05475	4.2
93.07050	3.7
95.08649	3.9
97.02888	14.6
97.06528	6.6
98.09691	2.2
98.97596	12.0
99.08097	3.2
103.05534	2.4
105.01852	1.6
105.07043	3.8
107.04987	1.9
107.08572	4.4
109.02898	7.4
109.06544	3.5
113.05968	1.9
115.05482	4.9
116.32329	1.6
116.98629	5.1
117.01800	1.6
117.07021	2.4
120.08125	2.8
121.06508	1.9
123.04433	8.7
127.03927	12.4
129.07013	7.6
129.48355	1.4
131.04951	6.3
135.04445	2.1
135.08092	2.8
136.07629	3.0
137.05972	7.0
138.09138	3.5
143.04956	4.3
143.08612	4.6
145.04962	18.2
145.06096	1.7
145.06586	2.1
147.04413	5.4
148.05118	3.1
149.06017	21.5
157.06532	8.9
158.99612	3.4
161.03079	2.0
161.05975	34.8
161.07246	2.4
162.06711	4.0
163.03935	2.4
163.06145	2.2
163.07567	6.0
164.07077	48.6
166.08771	1.4
171.02095	3.3
171.08096	3.5
171.11693	5.6
175.07556	33.4
177.00751	3.8
180.08701	4.2
181.08574	1.9
189.09111	2.5
198.11223	4.5
199.01569	5.5
199.09651	5.9
199.11263	7.2
205.12263	3.1
216.12231	2.0
217.02695	5.5
217.12267	52.2
218.11758	2.0
219.01817	3.7
234.13190	15.1
234.15244	40.3
237.02863	2.5
258.15067	2.4
264.12418	2.4
324.14514	4.1
326.12173	2.8
378.19153	2.5
396.16187	5.7
396.20230	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27710	2.3
53.03957	10.9
53.26331	2.2
55.01863	8.2
55.05515	12.1
58.97514	1.9
62.98933	2.5
65.03928	2.5
67.05177	2.5
67.05508	28.2
69.03434	4.0
69.07072	32.9
69.54404	9.8
69.54816	5.3
71.04989	3.7
71.38654	2.2
76.62894	2.1
76.74979	2.2
79.05491	37.5
81.03426	14.7
81.06584	3.5
81.07056	60.4
83.04978	9.0
83.08614	5.8
85.02906	6.1
85.06524	3.9
86.09725	2.0
87.00829	8.0
91.05486	25.1
93.07047	35.3
95.04971	12.4
95.08611	21.7
97.06503	14.4
105.07025	22.6
107.04948	8.1
107.08609	16.4
109.06522	15.2
109.10150	6.6
111.08099	5.8
113.57701	2.1
116.05462	2.4
117.07062	5.8
119.08614	14.3
121.06496	3.8
121.10149	14.8
123.08076	6.6
125.09637	3.2
129.07004	4.5
129.12709	3.4
131.08589	11.7
133.06438	3.6
133.10127	18.6
135.11685	12.7
137.09615	4.5
143.08553	3.4
145.10092	8.8
147.08031	2.9
147.11662	10.9
149.09657	4.3
149.13252	2.8
151.11183	4.4
157.10089	6.9
159.11676	6.6
161.09634	2.6
163.11180	4.1
171.11627	2.7
175.11205	2.7
179.10692	3.0
181.12274	3.5
183.11832	2.3
185.13292	3.6
187.14915	3.2
193.12254	6.5
199.13278	3.8
220.87805	2.1
224.08051	2.6
227.17987	4.2
245.19058	13.8
263.20071	100.0
291.19562	2.7
305.21158	5.1
309.20569	18.7
351.21594	7.5
359.18640	4.1
377.19617	8.3
395.12894	5.6
395.20654	88.3
408.31213	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	396.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01859	4.8
55.05515	2.4
56.96554	4.2
57.03437	9.2
57.07075	1.4
59.04988	1.8
60.82072	1.3
61.02934	11.4
65.48080	1.4
67.05495	4.5
68.04983	1.4
69.03423	24.6
69.07054	4.5
70.06577	4.3
71.04987	3.8
71.56326	2.4
73.02899	5.9
74.06065	2.6
79.05491	17.4
81.03413	11.4
81.07033	4.8
83.01300	1.4
83.04976	2.4
84.04494	2.7
84.08126	3.5
85.02903	100.0
86.09689	2.1
87.04443	3.8
91.03944	5.6
91.05454	7.9
93.03355	1.5
93.07038	11.4
95.04964	5.0
95.08595	4.7
96.08087	1.2
97.02287	2.5
97.02892	36.2
97.06522	8.2
98.97581	6.8
99.04456	7.2
103.60649	1.3
104.10741	2.4
105.07030	4.6
107.04948	3.2
107.08575	20.6
109.02879	8.6
109.06491	3.2
109.10143	2.4
110.04905	1.4
111.08076	2.0
113.09621	2.5
114.09126	1.5
115.03910	3.0
115.05494	1.8
116.98614	2.8
117.07029	3.3
119.08575	3.0
121.06492	5.2
123.04431	8.7
124.07577	1.4
125.01504	1.6
127.03922	26.4
129.07010	1.4
131.04958	2.0
133.06458	2.5
134.05954	1.5
135.04362	2.4
135.08049	34.7
137.05945	4.6
140.07053	1.4
141.05457	11.6
143.00150	2.0
143.04945	2.3
143.08482	2.7
145.04965	41.1
145.06267	2.8
145.06578	2.9
147.04382	3.1
149.05933	4.2
153.09113	7.7
153.12711	1.5
157.06445	1.6
158.99638	2.3
159.08104	1.7
161.05971	6.8
163.03943	2.1
163.06099	6.1
163.07527	83.5
164.07057	7.4
170.99725	2.2
171.02098	9.7
171.08112	2.4
173.05975	2.5
175.07553	5.9
177.00633	1.4
180.08678	9.7
181.08606	35.4
184.07317	2.7
187.07434	1.7
189.09088	4.4
199.01564	16.2
199.09656	46.2
199.11421	2.1
201.09192	2.5
202.54846	1.5
217.02608	18.6
217.10623	5.7
217.12225	5.7
219.01727	3.8
229.10947	27.2
230.15248	1.5
231.13794	2.9
234.05284	3.4
234.11290	10.5
234.14902	10.4
234.16942	2.8
237.02789	3.5
241.12202	3.9
248.12683	2.3
258.14896	55.0
264.12186	1.9
267.13531	1.6
273.13443	2.2
282.13266	1.7
283.03561	1.9
302.17502	25.1
320.18256	1.7
324.14432	3.1
325.12759	1.8
334.20108	11.0
343.13882	4.8
346.20032	5.4
360.21683	4.8
361.14917	8.1
378.18460	3.4
378.23059	9.5
396.16098	8.0
396.19989	12.2
396.24542	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.6
55.01861	4.5
55.05508	11.4
57.03424	4.3
57.07088	1.3
65.03919	1.3
66.82532	1.0
67.05181	2.1
67.05507	29.7
68.99783	2.2
69.03420	3.5
69.06725	1.6
69.07071	19.2
70.06571	1.2
71.04980	3.7
71.10489	2.4
79.05493	32.9
81.03418	18.2
81.07059	54.1
83.04980	7.6
83.08627	12.0
85.02911	1.7
85.06541	1.7
87.00832	7.9
91.05485	30.1
93.07048	29.0
95.04964	14.6
95.08054	1.7
95.08610	22.2
97.06541	10.0
97.10165	1.4
99.08068	2.1
103.05548	1.2
105.04506	1.4
105.07030	22.5
107.04959	10.1
107.08604	16.3
109.06519	14.3
109.10158	10.5
111.08080	6.1
117.06992	6.9
119.04959	1.3
119.08586	19.4
121.06496	3.8
121.10152	11.2
123.08096	6.7
125.09616	2.3
125.56857	1.1
129.07043	4.8
131.08582	10.1
133.06487	4.0
133.10133	18.1
135.08020	3.1
135.11687	10.2
137.06001	1.4
137.09637	7.8
139.53386	1.0
141.09120	1.2
143.08539	5.3
145.06482	1.3
145.10107	8.6
147.08037	3.1
147.11697	8.7
149.09601	3.0
149.13234	2.1
151.11191	4.5
157.10153	5.5
159.10324	1.1
159.11665	5.1
161.09598	7.5
161.13272	3.1
163.11159	5.3
165.12816	2.8
171.11734	3.5
173.13269	4.4
175.11157	3.8
179.10733	5.0
181.12242	4.7
185.13292	2.8
187.14957	1.3
189.12790	3.5
191.10536	1.5
193.12238	5.1
195.13841	2.0
199.13255	3.1
199.14861	1.5
207.13786	3.0
209.17120	1.1
221.15381	1.5
227.17929	3.4
245.19099	11.5
247.20570	1.2
263.20078	100.0
271.16766	1.5
273.18448	1.3
289.17966	1.5
291.19550	2.6
295.11752	1.6
305.21112	5.5
309.20590	16.1
323.14914	3.1
351.21814	5.2
359.18301	1.8
377.19687	6.5
395.20663	83.7
396.20963	1.5
409.38098	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	46.6
56.96818	5.3
57.03420	4.1
58.08070	2.7
59.55441	2.8
67.51852	2.4
68.25375	2.6
69.03437	4.5
69.79310	12.9
70.98119	31.2
84.96011	5.8
85.01405	7.0
85.02887	8.3
87.04429	3.1
88.99155	15.4
97.02876	8.1
98.97584	87.9
99.04453	3.9
101.00867	9.1
103.02422	14.0
109.67497	2.5
110.97565	23.3
112.99127	5.2
113.00873	6.4
113.03493	3.2
115.02425	10.4
116.98626	16.5
119.01893	11.8
121.03476	2.8
124.95505	4.1
127.00719	4.0
127.02437	3.4
127.03924	3.4
128.98599	36.9
131.00139	7.6
131.01895	7.8
133.00783	4.0
133.01804	4.1
133.03473	100.0
134.99666	4.7
140.98599	5.1
141.03902	5.0
142.96542	3.5
143.00139	5.7
143.01935	13.9
145.00801	5.7
145.03516	15.2
146.99648	31.3
147.03171	2.9
148.01225	2.8
149.01164	5.9
151.00749	3.4
151.04530	23.6
154.01303	7.1
154.96555	3.9
155.01917	13.1
156.98108	12.4
157.03484	9.7
158.99657	20.4
159.05031	8.8
160.01353	5.4
161.02950	17.2
165.00693	16.0
166.01309	3.7
166.16277	3.3
169.02034	3.6
169.03372	13.4
170.95944	5.7
170.99588	7.6
171.05057	7.2
172.97589	6.6
173.01244	3.5
173.02937	10.1
174.99155	42.4
175.02950	5.5
175.04539	48.3
177.00685	10.1
181.01918	4.9
181.03476	7.1
183.01689	4.2
185.00342	2.5
185.03014	4.3
186.99190	3.3
187.04529	33.1
187.06071	4.9
188.97055	11.6
189.00708	27.9
189.06090	12.1
190.98656	5.9
191.02242	3.3
193.00246	32.3
196.02333	6.1
197.03070	3.6
199.04535	14.1
201.00679	5.1
201.06084	28.9
202.02333	3.2
202.98610	5.6
203.01135	3.0
203.04016	6.6
205.00209	9.7
206.98230	3.4
207.01779	15.6
210.02159	3.8
211.01160	3.3
211.02864	5.1
211.04533	31.3
213.02141	3.0
214.98601	6.6
217.00185	4.8
217.05550	35.6
219.01759	24.9
219.07204	3.9
221.05055	4.9
223.01355	6.0
224.01884	3.2
229.05550	5.7
232.99684	7.4
233.02539	2.8
235.01208	9.1
237.02818	26.1
244.09337	6.8
245.05113	8.4
247.01236	7.1
247.06662	3.1
249.02809	9.4
251.00787	6.3
255.03615	3.4
260.98999	4.4
263.00699	8.5
263.06393	3.3
270.97531	7.8
275.00635	10.1
277.02216	8.4
277.08087	24.1
279.03891	6.2
281.01685	4.3
288.98691	15.9
293.01596	4.8
295.09094	80.2
303.00143	27.0
305.01639	6.1
307.03345	4.1
309.55466	3.0
321.01340	15.3
335.02606	5.0
363.02615	4.7
395.05301	3.2
395.10339	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2589
Annotation	Macrocentrine
Peak:m/z	Relative Intensity
53.03942	5.1
55.01858	1.1
55.05511	1.7
56.04992	0.9
56.96563	2.0
57.03442	7.5
58.06607	1.4
59.43530	0.8
59.61299	0.9
61.21110	0.8
63.72996	0.9
67.05503	5.8
68.05017	3.4
69.03120	0.9
69.03432	9.0
70.06593	11.3
70.10748	1.7
70.11162	2.5
71.03753	1.0
71.04996	16.4
72.07847	0.8
72.08160	7.5
74.58369	0.9
79.05482	5.0
80.05041	1.2
81.03418	4.4
81.07056	6.3
82.06592	4.9
83.04976	1.3
84.04494	0.9
86.06068	31.6
86.09687	1.1
91.05474	3.3
93.07050	4.6
95.04980	2.5
95.08596	2.2
96.08130	49.0
98.06032	4.1
99.06856	1.9
100.07622	9.6
105.07031	2.7
107.04951	3.2
107.08601	2.1
109.06503	1.0
109.10139	1.2
110.06043	10.3
110.09692	2.5
117.07005	1.8
120.08096	4.1
120.17976	0.9
123.08060	2.6
124.07530	1.2
131.08540	1.3
135.08017	1.3
135.11714	2.3
136.07538	2.2
138.09145	3.1
143.08620	0.9
156.10205	100.0
157.10344	1.1
159.11678	1.4
166.38411	1.3
169.35271	1.0
186.93159	0.9
187.11272	1.2
195.13823	1.4
260.20328	1.0
300.19376	1.3
302.21072	0.9
315.28043	1.0
318.20700	1.9
320.22186	3.6
335.88333	0.9
336.21924	1.2
348.21695	20.7
353.19275	1.8
371.20239	2.2
376.24854	2.0
394.25897	81.1
395.26611	1.4
396.97195	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59827	0.6
53.03951	3.5
55.05508	1.5
56.96560	1.0
57.03448	7.7
58.06600	2.0
61.69997	0.7
67.04250	0.8
67.05508	3.0
68.05022	3.2
69.03432	9.1
69.75713	2.3
69.76129	2.1
69.78354	0.9
70.06595	11.5
71.03719	2.0
71.04992	11.1
72.04549	0.7
72.08134	1.7
73.85380	0.7
79.05482	2.0
80.05014	1.4
81.03413	2.3
81.07076	3.7
81.07483	0.8
82.06579	4.2
83.04951	1.6
83.07311	0.8
86.06069	30.4
91.05470	1.4
93.07013	2.8
94.06580	1.0
95.04974	2.3
95.08606	1.9
96.08132	43.1
97.06535	0.7
97.66119	0.6
98.06067	4.4
98.20826	1.0
99.06836	2.1
99.36307	0.7
100.07613	9.7
105.07031	1.0
107.08624	1.2
108.08161	0.8
110.06038	6.2
110.09689	1.6
117.07025	0.8
120.08128	0.8
121.06509	0.8
124.07570	0.9
135.11736	1.3
136.07564	2.3
138.09154	2.8
145.06398	0.7
156.10201	100.0
159.11742	1.5
187.11206	1.2
236.41798	0.8
270.16861	0.9
316.16284	0.9
318.20700	1.2
320.22165	1.5
334.17676	2.3
348.21689	11.2
353.18961	0.8
385.46826	0.8
394.25894	58.6
395.26407	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	8.0
57.03424	3.7
61.02931	4.1
69.03429	11.7
70.06576	2.3
71.55822	3.7
73.02919	2.7
79.05502	6.5
84.04513	2.7
84.08156	15.8
85.02895	26.7
86.09716	2.4
87.04472	3.5
91.05480	19.6
92.23251	2.9
97.02892	12.1
98.06059	3.2
98.97580	15.1
99.04446	3.7
107.04955	8.7
110.97564	3.6
116.98606	5.5
119.04952	48.8
120.08204	5.3
121.06526	5.6
127.03938	6.7
128.98618	2.6
135.04443	10.9
137.05984	50.0
138.65042	2.2
145.04939	6.3
147.03238	4.1
147.04414	83.2
149.05997	8.8
151.07550	8.6
162.04143	4.8
167.07065	23.8
179.05466	5.5
179.07047	100.0
197.08118	6.4
201.00732	2.2
219.01776	4.8
232.45100	2.3
237.02844	5.3
263.08841	3.6
293.10370	2.8
311.11267	6.1
323.10666	2.7
393.84048	2.8
394.19644	7.6
394.34583	2.8
395.12579	3.1
417.99918	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	394.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12461	0.7
50.36802	0.8
51.55195	0.8
55.01865	1.5
55.05503	2.2
55.73793	0.9
57.03431	1.9
61.02930	1.8
61.65368	0.9
67.05504	11.8
69.03435	4.3
69.07060	2.0
69.73286	5.5
71.04998	1.0
72.51868	0.8
79.05482	2.6
81.03422	1.7
81.07061	8.1
85.02908	10.8
87.04491	1.1
91.05488	1.4
93.07042	3.0
95.04983	2.3
95.08613	7.3
95.25618	1.0
97.02882	4.5
97.06522	2.8
98.97580	1.4
99.04432	1.7
105.07035	1.0
107.08591	2.2
109.02917	1.0
109.06506	1.2
109.10162	43.5
111.04480	1.4
112.05880	0.9
113.42669	1.0
119.08573	3.6
121.10113	2.2
125.05986	3.6
127.03904	1.6
137.09624	94.9
145.04970	2.6
145.10153	1.0
147.06770	0.9
147.08031	3.1
152.05630	1.6
155.10678	15.5
163.03879	1.0
164.04271	1.1
165.09122	100.0
176.07133	1.4
180.08658	2.3
183.10170	13.7
197.11748	13.6
201.11229	39.1
205.10982	1.9
215.12793	52.7
219.12257	1.1
260.10025	1.5
279.38748	0.9
332.18643	1.4
376.21115	3.1
380.83591	0.9
394.22107	3.4
394.26144	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	393.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.8
55.05499	26.1
57.03435	8.0
57.07064	25.7
67.05516	41.6
69.07082	34.3
69.10347	6.9
71.08640	9.4
79.05504	43.3
80.55240	5.7
81.07061	77.6
83.04970	7.1
83.08602	13.0
85.10164	12.6
89.06034	9.4
91.05478	52.4
93.07040	85.7
95.04972	52.1
95.08600	64.9
97.06509	12.1
98.26237	5.9
98.98468	31.9
105.07033	100.0
107.08599	63.5
109.06542	17.2
109.10128	26.2
109.65329	6.8
117.07011	18.9
119.04919	8.1
119.08592	90.6
121.06483	23.6
121.10171	41.7
123.08039	8.8
123.11717	22.9
128.06183	9.5
129.06973	24.6
131.08571	45.7
133.08644	6.2
133.10104	50.9
135.08092	14.1
135.11674	27.4
142.07755	19.6
143.08566	33.1
144.09363	10.2
145.10146	52.6
147.11693	36.4
148.07761	6.2
149.13232	7.3
154.07675	5.9
155.01050	57.5
155.08530	12.6
157.10147	63.7
159.11678	44.4
161.09653	17.2
169.10204	17.9
171.11699	17.2
173.13275	26.7
175.11130	8.6
175.14807	18.9
181.10081	9.0
182.61201	6.3
183.11684	21.6
185.13170	14.4
187.11115	10.4
187.14812	12.4
195.11977	6.1
197.13245	10.5
199.14647	8.8
200.65971	6.0
201.16350	12.0
211.14812	8.2
213.16399	11.0
223.14717	12.7
229.15958	7.1
253.15944	8.3
319.19412	7.8
349.27322	42.1
361.27295	28.6
376.26038	9.3
393.29773	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.2
53.64912	2.6
55.01852	4.2
55.05516	17.3
57.03434	3.6
57.07058	12.1
59.04996	3.1
59.72493	2.8
65.03931	6.9
67.05502	32.9
69.03429	4.5
69.07076	20.4
69.48664	22.3
77.03885	4.0
79.05495	40.9
81.02696	3.1
81.06592	3.9
81.07061	68.4
83.04973	9.1
83.08607	7.3
85.10180	3.2
91.05489	60.9
93.06487	5.7
93.07045	80.2
95.04972	51.1
95.08614	59.5
97.06509	11.8
98.98463	8.4
103.05455	3.8
105.04525	3.1
105.07031	100.0
107.08598	51.4
109.06524	15.4
109.10158	30.8
115.05508	4.5
117.07008	22.4
119.08580	81.8
121.06512	22.8
121.10144	49.7
123.08070	8.2
123.11700	9.7
128.06227	10.0
129.06998	12.2
130.07765	8.7
131.08583	46.4
133.06479	3.5
133.10133	53.8
135.08070	6.8
135.11673	17.1
137.09547	4.7
141.07019	9.1
142.07771	22.5
143.08578	31.6
144.09308	8.3
145.10129	67.6
147.07993	5.7
147.11714	26.1
149.13187	3.0
154.07739	5.0
155.01067	15.4
155.08534	11.9
156.09358	14.0
157.10139	54.2
158.10880	5.8
159.08035	5.2
159.11708	44.0
161.09615	16.7
161.13295	8.3
163.11189	4.4
165.06955	4.5
167.08542	5.4
169.10127	21.9
170.10789	4.8
170.98555	3.0
171.11687	21.2
172.12474	3.6
173.09621	3.8
173.13235	22.3
175.11165	11.0
175.14825	13.7
179.08501	6.4
181.10143	9.6
182.10948	4.1
183.11699	16.1
185.09659	3.4
185.13231	14.8
187.11154	6.9
187.14857	9.1
193.10164	6.2
195.11700	14.3
196.12396	4.4
197.13319	13.6
199.14838	10.8
201.16374	10.2
205.10088	4.6
206.10782	3.5
207.11708	6.3
209.13295	13.4
211.14833	13.8
213.16414	3.0
215.14418	3.5
223.14830	5.8
225.16377	7.0
235.14778	7.6
237.16316	4.7
253.15884	6.9
253.19469	4.9
265.19565	4.3
375.26865	7.4
393.27557	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	393.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
54.28830	0.8
55.01863	2.2
55.05269	0.8
55.05515	10.4
56.85931	0.9
56.96568	1.0
57.03434	3.2
57.07071	2.3
65.03941	2.0
67.05172	1.2
67.05510	18.6
69.07078	8.4
70.49009	1.9
70.49345	1.5
71.04973	2.5
75.04478	1.0
79.05501	19.7
81.03406	3.4
81.07058	21.3
83.04990	1.9
83.08608	3.9
85.06554	2.0
91.05484	26.7
93.07049	22.7
95.04973	8.4
95.08611	14.6
97.06528	3.2
97.10182	2.6
98.97587	3.3
99.08114	0.9
103.05479	1.2
105.07033	30.7
107.04942	3.5
107.08601	13.9
109.06510	5.8
109.10170	5.6
111.08113	1.7
115.05458	2.3
117.07022	21.8
119.08591	21.6
121.06522	4.0
121.10147	8.3
123.08071	2.2
123.11716	1.6
128.06226	2.9
129.07028	12.0
130.07779	2.0
131.00266	0.9
131.08575	30.3
133.06511	8.5
133.10132	16.7
135.08096	4.3
135.11736	5.8
137.09616	1.6
141.06996	1.7
142.07816	2.5
143.08562	13.9
145.06511	2.5
145.10135	19.4
147.08032	8.5
147.11697	9.3
149.09642	4.1
149.13277	1.9
155.08548	2.8
157.10141	9.6
159.08011	2.1
159.11714	14.1
161.09618	5.0
161.13290	6.3
163.11162	3.0
169.10123	3.6
171.08173	1.1
171.11705	9.7
173.09625	2.2
173.13266	9.3
175.11183	7.1
175.14833	3.3
177.12810	2.0
181.10173	1.7
183.11705	3.3
185.13280	5.9
187.11166	1.7
187.14897	4.2
189.12709	5.7
189.16402	1.1
191.14302	2.1
193.86638	0.9
195.11615	2.2
197.13243	3.5
199.14793	4.1
200.10500	1.0
201.12682	1.0
201.16385	1.2
203.14352	2.9
209.13179	2.1
211.14832	1.2
213.16403	1.2
217.15923	0.9
223.14825	1.7
239.17989	1.5
241.19391	1.3
255.20985	4.5
257.18967	6.4
259.17194	1.0
259.20587	1.5
265.19531	2.8
273.22122	20.9
275.20090	1.7
277.21619	2.0
277.87695	0.9
283.20584	11.7
293.05322	1.0
301.21634	100.0
302.21997	1.9
319.22736	7.7
329.24823	1.2
349.23743	12.0
365.26996	1.4
375.25330	56.4
376.25677	1.4
393.26385	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	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63253	0.4
55.05501	0.7
56.96566	3.2
59.83920	0.4
61.02926	0.5
66.33416	0.4
67.05496	1.4
69.07056	0.8
71.95246	0.8
78.04127	0.5
79.05489	1.1
81.03397	0.7
81.07037	1.6
91.05476	1.3
93.07040	1.8
95.04948	0.9
95.08611	1.3
97.06525	0.6
105.07027	0.7
107.08591	0.9
109.10139	0.7
110.97559	1.7
114.28851	0.4
117.07061	0.7
119.08562	0.8
121.06496	0.5
121.10121	0.7
128.98592	1.3
131.08549	0.8
131.25958	0.4
133.10109	0.9
137.09555	0.4
145.10138	0.9
147.11684	0.6
156.10217	1.2
157.10149	0.8
159.11682	0.7
184.07454	0.5
198.01613	0.5
203.05896	0.8
204.06311	0.5
229.20338	0.6
253.21112	0.5
257.07034	1.3
258.07495	1.6
259.08237	0.6
263.12573	1.5
315.16324	3.7
316.16367	0.5
323.84805	0.4
333.17374	7.0
334.17798	1.8
351.18414	2.3
352.18787	6.5
356.18954	1.4
369.19342	1.6
370.19800	9.8
374.19971	0.7
375.21295	1.3
375.25510	0.7
393.26175	100.0
394.26538	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	393.2631
Annotation	(+)-Dihydrocompactin
Peak:m/z	Relative Intensity
53.03937	3.1
55.01860	3.0
55.05302	1.4
55.05512	15.7
57.03451	7.8
57.07077	3.4
63.13031	1.1
65.03948	2.9
67.05502	26.5
69.07070	13.3
69.82483	5.4
71.04993	1.9
71.08632	2.0
73.68787	1.3
79.05486	25.1
79.44770	1.3
81.03407	2.9
81.07054	29.9
83.04974	3.5
83.08605	7.2
84.45254	1.3
85.06534	1.8
91.05478	35.4
91.06017	2.7
93.07045	33.5
95.04966	11.0
95.08592	21.9
97.06532	3.8
97.10161	1.7
98.20799	2.7
98.97585	2.6
99.08065	2.6
103.05453	2.2
103.54174	1.5
105.07031	43.2
107.04966	4.5
107.08585	18.5
109.06512	7.0
109.10162	7.9
115.05433	3.2
116.06147	2.4
117.07011	30.0
119.04974	1.6
119.08582	29.4
121.06491	8.2
121.10142	12.3
123.08066	2.2
123.11674	1.4
128.06235	4.8
129.07007	16.4
130.07784	2.3
131.08568	38.4
131.09535	2.6
132.02242	1.3
133.06451	11.3
133.10136	18.1
135.08078	4.5
135.11671	6.8
141.06967	2.2
142.07755	2.0
143.08566	14.3
144.09340	1.6
145.06528	1.7
145.10126	31.4
147.04315	1.9
147.08049	7.8
147.11693	12.2
149.09621	4.9
149.13264	2.9
154.55147	1.4
155.08556	4.7
156.09431	1.9
157.10143	11.4
158.99709	1.7
159.08037	2.1
159.11699	20.3
160.22017	1.4
161.09607	8.4
161.13223	7.9
163.11183	3.3
169.10146	4.9
171.08070	2.0
171.11649	12.3
173.13263	12.4
175.11218	7.8
175.14804	3.8
177.00650	1.6
177.12732	4.2
181.10065	2.3
183.11710	3.9
185.13237	7.4
187.11197	2.0
187.14825	4.3
189.12709	6.9
189.16370	2.3
191.95302	1.5
195.11604	3.9
197.13243	2.8
199.14815	4.6
201.12845	1.7
203.14310	4.7
209.13293	2.9
213.16264	1.7
215.14470	1.8
215.17935	1.7
217.15938	1.9
222.19168	1.5
223.14914	2.0
227.14262	1.7
229.19501	1.6
239.17952	2.6
255.21133	6.6
257.19052	5.5
259.20428	2.1
265.19601	3.3
273.22113	24.4
275.20221	3.5
283.20587	14.3
301.21603	100.0
302.21704	2.1
319.22672	15.3
331.22467	2.3
331.26160	1.9
347.26044	1.5
349.23749	12.7
357.24170	1.6
375.25293	99.9
376.25403	1.9
393.26364	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.249
Annotation	Sedumoside A3
Peak:m/z	Relative Intensity
51.64888	1.3
53.72029	1.4
55.05508	4.7
57.07064	6.5
67.05520	9.6
69.07056	4.3
71.08615	3.0
71.57020	2.5
76.88287	1.3
77.39088	1.3
79.05495	7.5
81.07053	14.2
83.08606	3.2
85.10175	1.7
91.05470	5.7
93.07048	7.2
95.04987	1.8
95.08608	9.1
97.10179	1.4
98.97593	2.3
98.98450	8.0
99.16373	1.3
101.00890	12.9
104.19622	1.5
105.07027	5.1
107.08575	3.6
107.18240	1.5
109.10157	2.6
117.07044	2.5
119.01929	29.7
119.08580	4.0
121.10190	2.4
123.11730	2.3
124.02396	2.2
131.01912	2.0
131.08578	3.8
133.03442	14.3
133.10132	3.0
137.02983	8.5
142.03471	5.3
145.10152	1.9
151.04523	4.4
155.01042	14.3
156.05022	1.7
157.03499	2.0
157.10101	2.5
159.11644	2.1
226.20476	1.4
235.11951	1.6
297.28360	1.7
315.21945	2.1
319.21320	1.5
333.19086	1.4
333.22580	6.9
343.20981	1.6
356.24414	2.1
361.22116	3.3
372.54633	1.5
375.23822	100.0
376.24130	3.7
384.23853	2.4
393.25079	7.2
416.26456	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	393.1883
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
55.01859	0.8
55.05508	0.9
56.14653	0.7
56.81395	0.6
59.71167	0.7
67.05485	2.1
69.03415	2.1
69.07059	1.5
71.04994	0.7
71.56558	0.9
79.05499	3.7
81.03384	1.0
81.07041	2.0
83.08582	0.7
85.02887	1.0
91.05475	1.8
93.07030	1.9
95.04967	1.1
95.08582	1.6
97.06531	11.0
98.97554	1.7
105.07011	1.3
107.08562	1.0
109.02898	1.1
119.01772	0.7
119.08578	1.5
124.60364	0.7
127.03901	0.8
131.08525	1.1
133.10126	0.9
135.04381	1.5
137.05980	0.8
157.10013	0.7
159.08087	1.1
159.11729	0.8
161.02333	1.7
163.03947	3.9
173.02325	2.4
185.13368	0.9
188.62012	0.7
203.05275	23.9
213.12492	2.4
215.07034	2.4
220.98424	0.7
231.10162	2.4
259.09644	5.1
260.09732	0.7
294.90860	0.9
393.18811	100.0
394.19434	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1163
Annotation	Chemomicin A
Peak:m/z	Relative Intensity
50.38743	0.7
54.88647	0.6
55.01857	2.0
55.05505	1.0
55.93224	0.6
57.03432	0.8
58.88685	0.6
67.05493	2.5
69.03422	1.9
69.06738	0.7
69.07069	4.9
69.51939	4.8
70.06573	0.6
79.05502	6.4
81.03414	0.8
81.07072	0.8
83.08650	0.7
84.08131	0.8
85.02892	1.9
86.09740	0.8
89.03922	2.0
91.05465	1.3
95.04962	1.4
95.08576	0.8
97.06532	44.8
97.97096	0.7
101.00880	1.0
105.07029	3.7
109.02921	1.2
111.04440	1.2
116.30585	0.7
117.03377	2.1
121.10195	0.7
127.03909	1.3
131.01994	0.6
135.04417	5.7
137.05920	0.7
145.02823	1.7
159.04430	0.8
159.32481	0.8
161.02385	2.7
163.03908	15.8
164.65123	0.7
173.02327	6.0
184.37025	0.6
187.07486	0.9
213.09087	0.8
215.07034	11.1
231.10196	8.6
235.09648	1.4
247.08215	0.8
259.09674	21.9
259.12378	1.5
271.04205	0.9
307.11154	4.3
349.12601	23.9
349.16983	1.1
393.11542	100.0
393.18716	3.3
394.11798	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34163	0.7
53.03922	0.9
55.01863	2.5
55.05492	2.7
56.96547	3.3
57.03427	1.8
61.02917	1.1
61.15773	0.8
67.05508	5.7
69.03407	2.9
69.07067	13.4
70.06580	2.6
71.04991	2.0
71.45417	1.1
72.08157	1.3
79.05495	14.1
81.03410	2.5
81.07084	4.0
83.05000	0.9
83.08600	1.2
84.08118	1.3
84.96017	0.8
85.02885	3.5
85.06575	1.1
86.09686	3.1
89.03907	2.8
89.52834	0.8
91.05457	3.2
93.07027	2.8
93.37786	0.7
94.07329	0.9
95.04977	2.1
95.08588	2.8
96.97729	0.8
97.02874	2.9
97.06530	100.0
98.97580	7.2
99.04465	0.9
105.03354	1.4
105.07037	8.0
107.04951	1.3
107.08565	3.1
109.02890	1.8
109.06543	0.8
109.10159	5.1
110.97537	1.3
111.04456	1.2
115.05362	0.9
116.98650	1.7
117.03400	4.1
117.07016	1.0
119.01914	0.9
119.08595	4.1
120.08128	4.0
120.08885	1.7
121.02869	1.4
121.06507	0.9
121.10165	1.9
123.04353	1.2
123.11660	1.5
125.41411	0.8
127.03902	1.3
127.11150	1.1
128.06256	1.1
129.06949	1.1
131.08510	1.1
133.02821	2.0
133.06599	1.1
133.10129	5.5
134.10445	1.1
135.04416	10.1
135.11662	1.7
137.05956	2.2
139.03961	1.5
141.06982	1.0
142.08632	1.0
145.02859	3.7
145.10117	1.7
145.12180	0.8
147.04364	1.9
147.11629	1.5
149.02348	3.5
151.03954	0.9
151.79025	0.8
158.99632	2.7
159.04411	3.0
159.08086	1.0
161.02333	10.8
161.05940	1.7
163.03915	34.7
163.07558	1.5
169.06454	1.7
169.47794	1.0
171.08057	0.9
173.02348	21.6
173.05981	2.4
175.03995	0.8
175.14799	7.2
176.07059	0.9
176.15150	3.5
177.00801	1.3
177.16403	1.1
183.13850	1.0
185.05988	1.4
187.07542	3.4
189.05411	1.8
191.07036	2.6
195.17442	1.8
197.05988	1.7
200.04634	0.8
205.08554	1.4
213.18463	3.3
215.07024	32.9
217.08730	1.5
219.01668	1.4
224.08099	1.1
231.10167	13.7
231.19389	1.0
235.09631	2.8
237.02821	1.4
241.08722	1.5
247.08339	1.1
259.09659	60.3
260.39090	0.8
271.04181	1.3
289.05161	2.8
294.33228	0.9
295.85605	0.8
303.12213	1.1
307.11087	1.7
334.77615	0.9
340.10306	0.9
342.58517	0.8
349.12537	10.6
351.10675	1.6
361.13782	1.8
368.14658	1.1
375.19485	1.5
385.15790	0.9
386.15790	1.1
393.11469	52.4
393.15417	2.8
393.19962	3.3
411.16815	3.1
412.17209	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	392.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
55.01859	2.5
55.05494	3.2
57.03421	4.4
57.07074	5.9
61.02915	5.7
67.05503	7.2
69.03434	8.5
69.07073	7.2
69.07374	1.3
70.06588	1.7
71.56471	2.1
79.05064	2.7
79.05498	39.0
81.03418	3.6
81.07048	6.5
83.04993	7.9
85.02908	29.8
86.09711	7.9
91.03948	2.1
91.05490	7.1
93.07046	37.4
94.96711	1.5
95.08591	4.9
97.02892	5.8
97.06539	36.5
98.97598	1.8
105.07026	3.2
107.04963	7.3
107.08601	13.5
108.41895	1.4
109.02853	2.2
109.10106	1.7
111.08017	1.6
117.03333	2.1
117.06969	1.9
120.08109	13.1
121.06471	2.5
121.10202	2.4
125.05978	13.6
127.03943	4.4
133.10139	10.7
135.04375	3.1
135.08105	2.2
135.11702	100.0
137.06001	2.1
139.07562	9.4
145.02855	2.0
145.04962	5.9
149.02318	2.2
149.13220	8.1
150.02742	1.7
150.07695	3.4
153.09161	1.8
153.12753	5.3
153.85051	1.3
159.04311	1.5
159.11740	1.8
161.02341	3.6
161.06059	1.7
162.01317	1.6
163.03912	16.1
163.06015	1.9
164.07080	2.7
173.02327	9.4
173.05949	1.7
177.12753	19.4
194.09656	1.5
195.13821	88.4
213.14822	1.7
215.06984	12.4
215.10596	2.5
225.74112	1.3
233.16490	7.5
245.18796	1.5
256.42776	1.4
259.09662	37.5
261.15884	3.1
348.17285	2.2
374.19470	4.8
392.20026	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	392.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49287	0.6
55.05573	0.7
56.96315	0.8
56.96568	13.0
61.02967	0.6
67.05531	0.7
69.03467	0.8
69.07107	1.4
71.08669	0.7
71.95327	2.9
74.97682	0.6
79.05537	0.9
81.07109	1.8
83.80007	0.7
84.96068	1.5
85.02916	0.8
91.04041	0.7
91.05556	2.1
93.07111	2.3
95.08634	1.0
97.02995	0.6
97.06603	0.7
98.97678	2.2
98.98536	1.4
105.07105	2.1
107.08652	0.9
109.06498	0.7
110.56784	0.6
110.97578	10.2
111.98413	0.7
112.99191	1.1
113.33611	0.7
115.00702	0.6
116.98647	0.8
117.07106	0.8
119.08659	2.4
120.31820	0.6
123.01270	0.7
124.99167	1.6
127.43591	0.6
128.98608	10.2
129.99416	3.3
131.00226	0.9
131.08644	1.3
133.10194	1.1
134.99654	0.7
135.11725	0.7
137.06039	0.6
141.99390	1.4
143.00235	2.8
145.10201	1.6
146.99675	3.8
147.11711	0.7
148.00410	3.5
149.01295	0.9
149.02393	1.8
151.00775	0.6
152.00267	1.6
153.02319	1.5
153.80125	0.6
155.00253	1.2
157.01880	0.7
157.10234	1.6
159.03345	1.0
159.11731	0.7
160.00493	2.1
161.01363	2.3
161.98405	1.6
166.01724	0.8
166.03082	0.6
171.02072	0.9
171.03339	3.6
173.04970	0.8
181.05405	1.4
182.99709	1.0
183.03374	1.5
183.06932	0.7
184.04083	1.5
185.01413	0.9
185.04898	3.4
186.02080	1.3
189.04440	3.7
191.03838	0.6
197.01199	5.3
197.04991	1.5
198.01952	0.7
199.06398	4.5
201.00774	2.8
201.04453	1.6
201.08029	1.0
202.05138	0.9
203.02254	1.5
203.06044	2.2
209.04932	0.9
211.06509	1.4
212.03682	1.1
213.08063	2.0
215.02298	7.4
215.05814	1.0
217.03986	0.9
217.07452	5.2
219.05586	0.7
221.04965	1.1
222.05937	0.7
227.05907	4.3
227.09621	1.0
228.06734	0.9
229.07494	9.2
231.09111	2.5
238.03954	0.9
239.05923	8.4
240.06812	4.1
241.07675	1.5
244.06255	1.5
245.06992	3.8
247.08542	4.2
252.09103	0.9
257.06979	19.9
258.07751	20.4
259.08499	1.4
262.07648	0.8
267.09061	0.7
272.05789	1.7
274.01147	0.6
275.08102	2.8
276.08859	9.1
280.08679	2.6
281.09515	2.4
290.06818	2.5
291.16391	2.6
309.17429	5.1
315.16400	2.6
317.18066	1.2
327.18488	1.2
333.17383	18.1
349.16074	0.8
351.18420	63.7
352.18771	1.5
369.19510	100.0
370.19971	1.4
374.19977	4.9
387.20511	5.8
392.21075	27.1
393.21490	1.2
393.26007	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	392.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25036	0.7
54.59907	0.7
55.05487	0.7
56.96564	41.6
57.07055	0.7
60.30906	0.6
62.19061	0.7
67.05495	1.0
69.07063	0.9
71.08633	1.7
71.41970	1.1
71.95263	4.6
72.96032	2.4
73.02901	0.6
79.05492	1.6
81.07047	1.3
84.96014	1.4
85.02930	0.9
86.09715	1.4
91.05460	1.0
93.07032	1.2
95.08651	0.8
97.06523	1.0
97.96798	1.2
98.97588	1.9
99.08103	0.9
99.62035	0.8
101.53062	0.8
105.00143	1.8
105.06984	0.9
110.97566	5.5
115.00680	1.2
119.01694	1.1
119.08567	1.4
123.01229	0.7
128.98598	4.5
134.81059	0.8
137.02745	2.5
139.00700	1.1
141.02248	1.8
143.00240	0.9
145.01740	0.7
146.99677	1.0
149.02419	1.2
151.00670	1.1
153.02235	2.4
155.03790	2.2
157.01743	1.4
159.03282	0.9
165.02232	1.0
167.03859	1.6
169.01691	1.2
170.10695	0.7
171.03314	4.0
173.04904	1.9
181.05351	1.5
183.03239	1.4
185.04839	5.4
189.04335	1.5
189.07967	1.0
193.05406	0.9
195.06978	1.2
197.04782	1.0
199.06459	11.8
201.07895	1.0
203.05875	3.9
205.07535	1.0
207.07010	1.2
209.08421	1.0
211.06415	4.1
213.07962	7.9
215.05998	0.9
217.05521	0.9
217.07468	9.3
222.08072	1.1
223.06526	0.9
223.10068	1.3
225.07939	6.0
227.09535	2.4
229.07471	6.5
231.07146	0.8
231.09105	5.9
236.09607	0.8
237.07954	6.2
239.09598	2.9
241.11084	10.3
243.09003	4.0
245.10760	1.6
247.08409	3.6
249.08023	2.2
251.09485	6.3
252.09340	0.9
253.11137	2.2
255.09039	28.9
257.10623	2.0
259.12216	6.4
261.10114	0.8
264.12671	1.3
267.09055	13.6
267.12167	1.2
269.10608	28.2
273.10101	8.7
278.10645	3.3
285.10068	16.7
287.11722	6.9
290.10538	1.2
292.12241	4.6
303.11130	1.1
305.17816	1.1
308.11710	2.5
309.17371	1.0
315.16367	2.3
317.17764	0.8
323.18973	2.4
333.17352	28.8
333.21341	1.5
351.18408	93.2
352.18808	1.5
369.19485	100.0
370.19827	1.7
374.20016	8.5
387.20441	2.0
392.21027	16.1
392.25424	1.3
392.36395	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	392.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
56.96561	1.3
57.03436	7.3
58.99580	1.9
69.03404	2.9
69.95909	2.8
69.96297	3.1
70.06596	2.1
72.08163	3.3
74.89697	1.1
76.02230	18.8
76.02627	1.8
81.03423	2.7
82.06558	1.4
84.04514	14.8
84.08140	2.4
85.02904	4.9
85.06553	8.0
86.42929	1.1
87.02654	1.4
88.02208	1.5
96.04499	14.4
97.02899	4.3
98.06071	6.6
98.20764	2.6
98.97604	4.3
99.02695	1.8
109.02869	5.0
112.03998	1.9
112.12978	1.2
116.01687	4.4
116.07110	3.6
117.03730	44.4
125.04191	1.5
126.05524	15.1
127.03934	2.5
129.06622	3.1
130.04979	5.9
138.05513	100.0
142.06877	3.5
143.05258	1.3
144.01152	3.3
144.06540	15.9
149.02371	4.7
150.02718	2.8
158.99637	1.4
160.07936	10.6
162.02214	11.3
162.07663	7.4
168.06575	39.3
179.04866	10.0
186.07617	21.6
189.04170	1.4
233.05836	2.2
245.09576	42.5
246.07899	2.8
263.10678	5.9
263.13272	1.1
266.53729	1.7
295.36465	1.2
317.11530	7.3
324.10330	1.2
333.08438	1.6
344.03781	1.1
347.14499	27.2
348.13794	2.1
392.15421	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	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93549	0.4
53.03936	0.8
55.05490	1.6
56.40204	0.4
56.96554	1.9
57.07077	0.6
67.05479	1.8
69.03401	0.5
69.07056	1.3
71.08607	1.2
77.07816	0.5
79.05517	2.5
81.07052	3.9
83.08627	0.5
85.06525	0.7
91.05492	2.9
91.88215	0.6
93.07037	3.7
95.04955	2.6
95.08609	2.3
105.07032	5.1
107.08595	2.2
109.06496	0.9
109.10116	1.5
110.97555	0.5
117.07011	0.7
119.08588	3.1
121.06495	1.0
121.10180	2.3
123.08076	0.8
123.11726	0.6
128.06212	0.8
129.07014	1.0
131.08540	1.9
133.10085	1.6
142.07784	1.1
143.08542	1.5
145.06606	0.6
145.10127	4.0
147.08037	0.7
147.11658	0.8
149.02354	6.4
149.09578	0.6
150.41928	0.6
155.08548	0.8
156.09363	0.8
157.10167	3.0
159.07980	0.9
159.11685	1.1
161.09567	0.9
169.10139	1.3
171.11699	1.3
173.13206	1.0
179.08531	0.7
181.10010	0.9
183.11658	1.3
185.13264	0.6
187.14861	0.7
193.10149	1.4
194.10820	0.6
195.11732	1.3
197.13243	1.0
199.11128	0.6
199.14819	0.5
200.06837	0.5
205.10008	0.6
206.10919	0.6
208.12578	0.5
209.13409	1.2
211.11292	0.5
211.14728	1.1
215.85970	0.5
217.07428	0.6
219.11772	0.6
220.12411	0.8
221.13197	1.2
223.14799	0.7
235.14806	0.7
251.17961	0.6
258.62616	0.5
267.17194	0.6
269.10486	0.5
273.16238	0.6
297.18497	0.6
345.25113	0.6
349.16946	1.2
350.17123	1.7
363.25021	1.4
368.18210	4.8
373.25238	1.6
391.24524	100.0
392.24814	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	391.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46108	0.3
55.05494	0.5
55.92371	0.3
67.05493	1.0
67.86963	0.4
70.27228	1.2
71.08627	0.4
79.05507	0.8
81.07034	1.2
85.89908	0.4
91.05479	0.8
93.07034	1.3
95.08607	0.5
105.07030	0.5
107.08601	1.0
109.10134	0.4
119.08588	0.7
131.08546	0.5
135.11644	0.4
145.10110	0.7
149.02319	2.1
149.65857	0.4
167.03372	0.4
194.92081	0.4
204.39250	0.3
262.95267	0.4
317.20724	0.4
355.26416	0.6
373.27219	0.7
380.71436	0.4
391.24548	100.0
392.24939	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01865	0.5
55.05508	1.1
56.96548	1.3
57.03421	1.7
57.07081	0.8
61.02942	2.2
69.03438	3.9
69.07057	0.8
70.06589	3.4
70.25011	1.1
71.04989	0.9
71.08608	0.5
72.08154	1.1
73.02912	0.5
79.05508	1.1
81.03412	0.9
81.05787	0.6
81.07069	1.3
82.06133	0.6
83.06122	0.7
84.04493	1.3
84.08152	1.2
85.02914	5.6
86.09688	1.5
87.04467	1.2
91.03942	1.0
91.05475	1.1
93.07085	0.7
95.04971	0.7
96.08130	1.9
97.02899	4.6
97.08452	1.2
98.97579	2.8
102.97968	0.5
105.07074	0.6
106.07346	0.8
107.04975	1.0
107.08600	0.9
109.02856	0.9
109.10162	0.8
110.97542	0.6
115.03924	1.2
116.98611	1.1
120.08128	0.5
121.06492	0.6
124.07598	13.5
125.05997	0.6
125.07172	0.6
125.07964	8.4
125.09554	1.1
126.01117	1.2
127.03927	2.0
130.06540	1.8
133.06445	0.6
137.05969	2.4
143.10666	1.2
144.02106	1.6
145.04964	1.5
146.99680	0.6
149.02353	7.6
149.05956	0.6
157.07628	0.9
161.06015	1.0
162.06267	0.6
163.07521	0.9
167.03409	0.8
170.99649	0.5
175.08757	1.0
177.05508	1.1
181.04968	0.7
181.08527	0.6
193.08516	0.6
194.09050	0.5
195.06528	0.5
211.08427	0.5
213.11278	0.8
219.01837	1.4
225.04201	0.6
237.02760	1.0
257.08969	0.7
293.08890	0.7
347.17123	0.8
373.18936	1.2
391.15741	100.0
392.16156	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2338
Annotation	Sedumoside C
Peak:m/z	Relative Intensity
51.86607	0.9
53.03930	1.6
55.01857	4.2
55.05512	10.8
57.03426	2.4
57.07075	4.8
61.85857	0.9
67.05506	13.7
69.07067	14.0
70.05872	5.1
71.08634	2.2
76.25440	0.9
79.05489	11.2
81.07054	16.0
82.99855	1.3
83.08623	8.9
87.84460	0.9
91.05470	11.3
93.07040	12.9
95.04981	4.8
95.08616	11.8
97.06519	3.5
97.10181	5.7
98.97543	1.0
98.98466	23.2
101.00883	12.8
105.07026	11.6
107.08577	8.4
109.10141	2.9
111.08066	1.1
111.11693	1.3
115.02450	2.3
117.06995	2.2
119.01924	28.3
119.08578	5.3
121.10154	9.2
123.11678	3.1
124.02438	2.0
129.06975	2.0
131.01924	1.5
131.08562	2.7
133.03462	13.9
133.10106	4.1
134.03702	1.2
135.11742	5.1
137.02936	5.6
137.13214	1.8
142.03496	4.1
142.07828	1.2
143.08554	2.8
145.10104	4.2
147.11682	2.9
149.02335	3.5
149.13258	1.6
151.04538	3.7
153.58994	1.0
155.01045	31.3
155.08499	1.2
157.03426	2.0
157.10126	4.1
159.11699	2.9
169.10135	2.6
171.11682	2.6
179.08530	1.1
183.11604	1.7
185.13261	2.1
195.04904	1.3
195.11644	1.1
197.13304	1.0
207.05101	1.6
209.13290	1.7
219.21075	3.1
221.13199	1.6
223.15013	1.2
235.14919	1.0
237.22163	12.7
247.11882	1.1
249.16248	1.7
251.11357	1.1
263.18045	1.1
270.62677	1.1
309.03931	1.0
313.20169	3.0
331.21188	4.4
341.19528	1.3
351.63464	1.0
359.20697	1.1
359.72406	1.1
373.22214	100.0
374.22113	3.0
391.22311	8.7
391.27072	3.0
414.24887	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	391.1577
Annotation	Chidamide
Peak:m/z	Relative Intensity
53.03923	0.6
55.01865	0.5
55.05511	0.9
56.96554	1.4
57.03431	0.8
57.07068	0.8
57.89328	0.4
61.02926	0.9
61.21938	0.4
64.87864	0.5
67.05511	0.5
69.03432	2.7
69.89039	1.8
69.89441	0.6
70.06588	2.2
71.04996	1.0
71.08606	1.0
72.08151	0.8
73.02915	0.5
79.05473	1.2
81.03405	1.5
81.07050	1.5
83.04992	0.5
84.04499	0.5
84.08144	1.0
84.96024	0.6
85.02912	5.3
85.06534	0.5
86.09700	1.0
87.00825	0.8
87.04471	0.5
91.03954	0.6
91.05473	1.5
92.17272	0.5
93.07072	0.5
95.05000	0.5
95.08601	0.5
96.08134	0.5
96.97926	0.4
97.02871	2.8
97.06552	0.5
98.97577	4.5
99.04451	1.1
99.87904	0.4
105.01813	0.5
105.07006	0.5
107.04979	0.4
107.08582	1.6
109.02870	1.6
109.06499	0.4
109.10160	0.5
110.97606	1.0
112.99204	0.5
116.98618	1.5
119.01904	0.9
120.08133	0.4
121.02868	0.5
121.06580	0.4
121.10168	0.4
124.07592	2.0
124.88947	0.5
125.07926	1.5
125.09621	2.7
127.03915	2.3
128.98643	0.7
130.06546	0.4
131.00200	0.6
133.10072	0.4
135.08052	0.6
137.05972	2.6
138.06339	0.6
138.90195	0.4
143.01894	0.5
143.10719	2.5
145.03438	1.4
145.04951	1.5
146.99622	0.4
147.04385	0.7
149.01178	0.7
149.02339	7.7
155.01926	0.5
157.03413	0.6
158.99669	1.4
159.02991	0.4
161.01256	0.6
161.02914	0.4
161.05968	0.8
162.06342	0.5
163.07512	0.6
165.05473	0.4
167.03362	0.5
173.03011	0.4
177.00725	1.2
185.02957	0.8
188.07108	0.5
194.08873	0.4
219.01733	2.1
237.02771	2.1
277.11374	0.9
295.12454	0.5
305.08939	0.5
323.10236	1.2
331.10669	0.9
349.11758	0.7
361.13312	0.9
365.11298	0.8
391.15707	100.0
392.15842	1.1
393.72675	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82835	0.5
55.01855	0.5
55.05512	0.5
55.67088	0.4
56.83520	0.4
56.96552	1.2
57.03434	0.5
57.07061	1.0
61.02915	1.1
67.05436	0.4
69.03410	1.5
69.44822	1.4
69.45230	1.6
70.06581	2.2
71.08627	0.6
72.08159	0.6
73.68436	0.4
79.05446	0.6
81.03391	0.9
81.07032	0.7
84.04506	0.5
84.08125	0.5
85.02907	3.2
86.09692	0.5
87.04469	0.7
91.03941	0.8
91.05487	1.1
93.07034	0.5
97.02895	1.4
98.97579	3.2
99.04503	0.5
100.11263	0.4
101.00839	0.5
107.04949	0.7
107.08594	0.4
109.02887	0.4
109.06512	0.6
110.06059	0.4
110.97562	0.6
116.98620	1.0
119.01899	0.7
119.04954	0.5
120.08121	0.7
121.06490	0.4
123.04445	0.4
125.05959	0.9
125.09557	1.0
127.03920	0.7
128.98622	0.5
131.01920	0.6
134.03549	0.5
137.05022	0.6
137.05981	6.3
138.06320	0.6
143.00215	0.4
143.01849	0.5
143.07140	0.5
144.95851	0.5
145.03456	0.9
145.04898	0.5
147.04382	0.7
149.02341	9.2
149.05980	1.8
155.01920	0.7
158.99675	0.7
161.02917	0.8
161.05923	0.6
167.03372	1.0
167.07028	0.8
173.03004	1.0
177.00603	0.9
185.02995	0.9
193.05019	0.6
203.04010	0.5
219.01613	1.0
225.08925	0.5
228.67961	0.4
229.07397	0.7
237.02817	1.6
263.06931	0.4
273.11227	1.0
277.11304	1.3
291.80649	0.4
323.09857	0.4
331.10501	0.7
343.11963	0.6
349.11539	0.4
361.13229	0.9
391.15710	100.0
392.16089	1.7
406.78406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
53.63761	1.1
55.01867	3.3
55.05506	5.2
57.03428	3.9
60.67295	1.3
61.02916	3.8
67.05510	15.4
69.03445	7.2
69.07066	1.5
70.06580	1.8
70.72828	2.9
71.04998	1.9
73.02907	3.2
79.05482	1.9
81.03407	4.6
81.07044	3.8
83.04970	3.8
84.08170	1.4
85.02904	7.1
88.20484	1.2
91.03949	4.5
91.05472	2.0
93.07042	1.8
95.04970	2.1
95.07502	1.1
95.08595	2.0
97.02913	8.6
97.06528	3.6
98.97610	1.8
99.04469	2.1
103.03944	2.6
107.08578	2.0
109.02887	2.1
109.10146	18.4
115.72358	1.1
119.08578	1.9
120.08131	1.8
127.03904	3.9
137.05988	2.8
145.05016	1.8
146.06065	1.6
148.07568	1.8
149.02357	5.7
151.07607	1.7
155.10664	2.7
160.05070	1.1
161.05751	1.3
166.05023	2.3
168.06549	2.1
173.11739	7.8
185.05960	1.6
197.06975	1.6
197.10806	1.8
199.08659	5.3
208.27312	1.3
208.82457	1.3
210.07677	1.9
211.08688	18.2
211.12218	2.4
212.09454	4.7
213.05203	1.5
213.10316	6.2
221.10741	2.5
222.09177	2.4
224.09351	3.5
225.06651	8.7
225.10216	30.9
226.11000	2.1
227.08276	1.6
227.11678	1.7
228.10057	1.7
229.09711	3.6
229.14381	26.0
239.08112	4.6
239.11800	20.1
240.08960	2.6
241.09705	3.7
241.13326	1.6
243.07741	3.0
245.12856	16.4
249.10289	3.9
252.08987	2.8
253.09766	17.6
254.10513	4.7
255.11215	4.1
257.10306	5.4
257.12900	7.8
259.10504	1.3
260.09442	1.4
267.08289	2.3
267.11310	34.8
268.12045	3.7
269.12985	2.1
271.10764	1.6
281.09198	1.8
283.10767	4.7
284.11533	3.3
285.12344	11.4
295.10739	27.9
297.12271	3.6
301.11807	3.9
303.09915	1.4
303.13242	1.6
313.11816	100.0
315.13257	1.8
323.10358	2.6
331.12936	20.3
341.11377	15.9
359.12384	66.8
360.12787	1.7
373.13974	74.1
373.18375	2.9
391.15372	19.6
391.19943	1.7
408.78503	1.3
411.69107	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01862	1.7
55.05517	7.3
57.03428	2.9
61.02906	2.0
67.05503	8.2
69.03425	4.4
69.07067	9.7
69.11242	1.4
70.06582	2.3
71.04977	4.6
71.56647	1.7
72.08155	1.7
79.05493	7.2
81.03407	3.1
81.07065	9.9
81.07498	1.9
83.04972	5.7
83.08625	4.3
84.08141	2.3
85.02885	7.2
91.03970	2.1
91.05480	9.8
93.07027	3.6
95.04955	1.7
95.08605	9.8
97.02872	5.4
97.06526	26.6
98.97596	3.0
99.04449	3.9
100.11266	3.9
105.07026	16.4
107.08611	11.2
109.02874	3.8
109.06538	1.5
109.10149	2.8
111.95792	1.3
115.15968	1.7
117.07027	4.2
119.08578	71.8
120.08141	2.1
121.06509	1.4
121.10142	4.3
123.11706	2.3
127.03896	4.2
129.07007	2.6
130.07454	1.7
131.08568	3.0
133.10097	13.8
135.08043	4.7
136.08383	2.6
137.05974	12.1
141.06982	1.6
145.06487	2.9
145.10112	2.8
147.11661	4.2
149.05930	2.9
151.07501	1.5
155.08507	1.4
157.09946	2.3
159.07941	1.7
161.06029	1.9
162.05467	5.7
171.08087	2.2
171.11687	1.8
172.03983	1.4
172.08453	1.8
173.09489	2.6
174.09137	3.0
175.06296	3.1
175.14822	54.7
176.06946	1.8
177.09094	2.6
178.05017	2.0
179.05769	5.5
180.06526	1.8
184.08827	1.4
185.09506	2.9
187.07561	2.1
189.09143	2.4
193.12184	1.8
199.11194	3.6
200.11600	3.5
201.09163	2.1
202.08650	5.3
203.09352	2.4
204.10156	15.1
209.09485	1.8
210.10023	2.0
211.13007	1.4
213.08817	2.0
214.08609	4.7
215.10728	3.3
216.10983	5.9
218.35995	1.6
220.09729	1.9
227.10658	3.9
228.11099	8.0
229.14406	1.8
233.10141	1.4
245.11737	5.1
246.12125	7.6
256.13391	6.8
258.11200	7.6
264.13193	2.7
271.12109	2.3
272.12827	1.7
300.15924	45.6
300.19247	2.7
302.14099	1.4
302.17578	2.3
316.18997	2.3
344.18661	3.4
346.16479	100.0
347.16803	2.1
355.15509	2.0
358.20093	3.3
372.18027	4.1
390.18860	32.7
390.22876	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	391.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96330	0.9
56.96563	9.3
57.03419	2.6
57.07065	0.6
57.57037	0.8
61.02929	9.2
64.75626	0.7
69.03426	9.7
70.98122	2.0
71.08602	0.8
71.55749	0.9
71.95255	1.5
73.02919	11.1
81.03400	2.1
85.01393	1.0
85.02447	1.3
85.02911	18.2
87.04429	0.9
88.99168	0.7
91.02081	0.7
91.03969	6.4
97.02882	13.5
98.97572	10.3
99.04422	2.2
101.00881	1.1
101.03404	1.0
103.02428	2.5
103.03178	0.9
109.02885	2.2
110.97528	1.2
111.02933	1.4
113.00862	1.4
115.02413	1.4
116.98620	3.6
119.01873	3.0
124.95461	1.3
127.03915	8.7
128.52455	0.8
128.98593	2.2
130.03625	1.1
131.01892	1.5
133.03468	17.8
134.03581	2.1
134.99637	1.2
138.03433	1.2
139.04228	6.2
139.54309	1.8
140.98607	1.3
142.96541	1.6
143.01906	2.1
145.03464	2.5
145.04950	5.1
146.99603	1.7
148.04747	12.3
148.55040	0.9
149.01245	1.3
149.02328	7.2
151.04527	5.5
154.94151	0.7
155.01909	2.8
156.98148	1.2
157.03481	1.6
158.48346	0.7
158.99638	3.0
161.01184	0.8
161.02989	2.6
167.03424	1.0
169.03416	1.1
170.96008	2.0
171.05055	1.8
172.97560	1.3
173.02963	2.7
174.04491	2.6
174.99123	2.6
175.04526	11.6
176.04643	1.3
177.00774	1.6
181.03473	1.8
183.04929	1.5
184.05830	1.2
184.97684	1.5
185.02954	1.1
187.04526	8.4
188.97102	4.5
189.00746	1.5
189.06075	2.4
190.98589	1.7
191.04028	0.8
193.00226	2.2
199.04543	1.8
201.06013	4.5
202.98619	1.9
205.00169	2.4
206.98140	1.5
207.01764	1.0
211.04491	5.0
214.98584	1.5
215.04045	0.8
217.00304	1.5
217.05626	6.3
218.05814	0.9
219.01709	1.3
220.06854	100.0
220.56995	17.9
220.99702	2.6
221.06819	1.7
229.05476	1.4
229.07452	3.4
232.99750	0.8
235.01363	1.3
237.02640	0.9
240.58171	2.1
244.16805	0.7
245.05052	1.7
247.01181	0.8
263.00699	1.0
270.97552	1.0
275.46304	0.9
277.07736	4.4
280.98056	0.8
281.01529	1.5
288.98657	2.1
295.08780	7.9
296.08932	0.9
303.00299	1.1
310.10040	1.2
337.09930	1.0
349.00571	0.8
349.06058	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37431	1.5
53.03931	1.6
53.96566	1.5
55.01878	4.5
55.05509	3.3
56.96560	4.4
57.03442	3.5
61.02930	3.4
67.05514	9.1
69.03430	10.5
69.07076	3.8
70.02844	5.5
70.03209	2.9
70.06587	7.4
71.04998	3.2
72.08166	1.9
73.02920	2.5
75.64935	1.4
77.35233	1.8
79.05491	14.0
81.03442	3.5
81.07059	23.8
83.08628	2.8
84.04508	2.1
84.08162	2.6
85.02905	22.2
85.06570	2.3
86.03213	1.7
86.09715	5.8
87.04486	3.6
88.02252	2.5
88.03994	2.5
88.21374	1.5
91.03963	1.5
91.05483	11.2
93.07068	6.1
95.04979	5.4
95.08613	9.4
97.02898	10.0
97.06552	3.9
98.97594	7.0
99.04458	2.9
103.05479	6.5
105.07030	58.4
107.04965	5.5
107.08585	8.4
109.02911	2.2
109.04343	1.6
109.06519	7.6
109.10196	5.2
109.72099	1.9
111.08105	2.6
112.44161	1.4
112.66664	1.6
115.05445	11.1
115.17625	1.6
116.98575	2.4
117.07034	1.8
118.04165	4.1
119.08588	4.1
120.08159	3.1
121.06496	2.1
121.10151	1.8
122.02736	5.7
122.03631	1.9
123.04428	2.7
123.08089	5.6
124.07594	3.8
125.09636	1.9
127.02255	2.3
127.03922	5.5
128.98628	2.0
131.04973	2.8
131.08580	6.5
133.06491	45.6
133.07448	3.1
133.10155	4.2
135.08089	2.5
135.11734	1.9
137.05977	26.6
139.11212	2.6
143.04984	1.8
143.06064	4.7
145.05013	4.2
145.10135	3.0
147.04501	2.2
147.11697	2.6
149.06032	2.4
149.09552	2.2
151.03947	2.3
151.07570	2.2
151.11116	2.0
157.10086	3.1
158.99670	3.1
159.11661	3.3
161.05975	100.0
169.08568	3.4
173.06039	2.3
173.13188	2.0
177.05489	2.6
177.09125	2.3
180.08730	2.0
187.14841	1.6
193.08611	74.8
198.05849	3.2
211.09647	15.6
215.14316	2.8
218.15401	4.8
219.01776	2.1
228.16293	2.6
233.15421	4.9
236.16451	16.5
236.56010	2.6
237.02808	2.8
239.58794	2.0
256.13373	6.1
301.14545	2.1
309.11264	1.7
336.16330	4.9
346.16281	12.0
354.17563	3.9
358.08008	1.9
372.18332	6.7
390.14557	16.7
390.19180	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	390.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37431	1.5
53.03931	1.6
53.96566	1.5
55.01878	4.5
55.05509	3.3
56.96560	4.4
57.03442	3.5
61.02930	3.4
67.05514	9.1
69.03430	10.5
69.07076	3.8
70.02844	5.5
70.03209	2.9
70.06587	7.4
71.04998	3.2
72.08166	1.9
73.02920	2.5
75.64935	1.4
77.35233	1.8
79.05491	14.0
81.03442	3.5
81.07059	23.8
83.08628	2.8
84.04508	2.1
84.08162	2.6
85.02905	22.2
85.06570	2.3
86.03213	1.7
86.09715	5.8
87.04486	3.6
88.02252	2.5
88.03994	2.5
88.21374	1.5
91.03963	1.5
91.05483	11.2
93.07068	6.1
95.04979	5.4
95.08613	9.4
97.02898	10.0
97.06552	3.9
98.97594	7.0
99.04458	2.9
103.05479	6.5
105.07030	58.4
107.04965	5.5
107.08585	8.4
109.02911	2.2
109.04343	1.6
109.06519	7.6
109.10196	5.2
109.72099	1.9
111.08105	2.6
112.44161	1.4
112.66664	1.6
115.05445	11.1
115.17625	1.6
116.98575	2.4
117.07034	1.8
118.04165	4.1
119.08588	4.1
120.08159	3.1
121.06496	2.1
121.10151	1.8
122.02736	5.7
122.03631	1.9
123.04428	2.7
123.08089	5.6
124.07594	3.8
125.09636	1.9
127.02255	2.3
127.03922	5.5
128.98628	2.0
131.04973	2.8
131.08580	6.5
133.06491	45.6
133.07448	3.1
133.10155	4.2
135.08089	2.5
135.11734	1.9
137.05977	26.6
139.11212	2.6
143.04984	1.8
143.06064	4.7
145.05013	4.2
145.10135	3.0
147.04501	2.2
147.11697	2.6
149.06032	2.4
149.09552	2.2
151.03947	2.3
151.07570	2.2
151.11116	2.0
157.10086	3.1
158.99670	3.1
159.11661	3.3
161.05975	100.0
169.08568	3.4
173.06039	2.3
173.13188	2.0
177.05489	2.6
177.09125	2.3
180.08730	2.0
187.14841	1.6
193.08611	74.8
198.05849	3.2
211.09647	15.6
215.14316	2.8
218.15401	4.8
219.01776	2.1
228.16293	2.6
233.15421	4.9
236.16451	16.5
236.56010	2.6
237.02808	2.8
239.58794	2.0
256.13373	6.1
301.14545	2.1
309.11264	1.7
336.16330	4.9
346.16281	12.0
354.17563	3.9
358.08008	1.9
372.18332	6.7
390.14557	16.7
390.19180	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	390.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01868	0.3
55.05501	0.7
56.96556	0.4
57.03422	0.5
61.02933	0.5
63.80692	0.2
67.05506	0.3
68.05017	0.3
69.03429	2.0
69.07063	0.5
70.06594	1.0
70.42113	0.5
70.42473	0.6
71.04988	0.3
73.02923	0.5
79.05502	4.6
80.05014	1.4
81.03414	1.2
81.05801	4.8
81.07056	3.1
82.06580	0.5
84.08162	0.4
85.02911	3.8
86.09700	0.6
87.00842	0.4
91.05474	0.6
93.07081	0.3
94.06558	1.0
94.25318	0.3
95.04958	0.4
96.08135	16.8
97.02892	1.9
97.06546	0.7
98.97575	1.1
99.04469	0.5
105.07045	1.7
106.06554	2.4
107.04957	0.5
107.08601	0.4
109.02895	0.4
109.06457	0.3
115.05473	0.4
116.98659	0.4
120.08104	0.2
121.06556	0.3
123.04449	0.4
124.07597	100.0
125.05988	1.1
125.07939	0.8
127.03925	1.1
128.98703	0.3
133.06522	1.8
133.10179	0.3
137.06021	1.6
142.08655	0.9
145.04956	0.8
147.08116	0.4
147.20117	0.3
161.05959	3.5
163.07587	0.3
181.05115	0.3
182.05397	0.3
193.08571	2.4
213.09772	0.4
219.01868	0.3
228.12868	0.3
237.02733	0.4
256.13382	0.5
257.08673	1.0
268.67236	0.3
320.18665	0.3
346.16440	0.5
390.13950	0.7
390.18332	6.8
391.15723	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	389.217
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
53.03920	2.9
55.05498	7.9
56.99412	2.3
57.03431	6.2
57.07071	5.6
61.39595	2.6
67.05496	7.2
69.03422	6.4
69.07063	6.6
70.06595	4.7
71.04985	6.2
71.22382	3.7
72.08142	3.2
79.05488	8.5
81.03411	3.2
81.07066	23.6
83.04996	7.1
83.08617	9.5
85.02900	32.4
85.06538	12.5
86.09708	4.4
89.06016	5.0
91.05498	17.7
93.07043	18.2
95.04980	29.5
95.08595	12.9
97.02837	4.0
97.06535	37.8
99.04446	6.8
99.08109	3.0
105.07043	21.3
107.08612	24.8
109.02892	3.0
109.06516	57.1
109.10157	12.1
111.08072	4.8
115.07586	12.4
117.07048	2.9
119.08578	13.1
121.10155	25.0
123.08071	5.2
123.11662	4.8
125.09623	6.6
127.03855	2.7
127.07529	4.7
131.04919	11.7
131.08568	19.4
133.08612	3.4
133.10141	60.2
135.08040	9.6
139.11192	5.4
145.05040	2.9
145.10110	5.5
147.11682	43.1
149.09596	7.4
149.13255	6.6
151.11140	6.6
153.09102	22.3
158.10934	4.9
163.07599	5.7
163.14827	7.8
165.12746	10.3
167.10689	3.2
171.10115	5.5
173.13277	34.2
191.10759	4.4
191.14331	50.0
209.11943	5.8
209.15379	100.0
227.12875	4.5
227.16420	67.9
233.14885	2.5
250.78018	2.5
374.29645	2.4
389.13202	4.6
389.17502	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	389.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01867	15.1
55.05504	8.6
57.03426	6.7
57.07074	2.0
57.07398	1.9
58.59474	2.0
61.02914	3.3
61.36784	1.7
65.03934	2.7
67.05518	10.5
69.03432	31.2
69.07059	13.8
71.04987	13.8
71.40543	3.4
72.63315	2.3
79.05495	22.6
81.03397	6.0
81.06598	2.0
81.07063	34.6
83.04967	5.6
84.49892	1.9
85.02911	11.9
85.06538	8.3
87.00744	2.2
91.05485	11.3
93.06477	3.6
93.07045	54.1
95.04955	7.7
95.08610	14.9
97.02881	7.3
97.06526	18.1
98.34641	2.2
99.04457	28.5
105.06346	2.2
105.07026	39.8
107.04921	4.4
107.08594	81.5
109.06516	16.7
109.10159	6.3
111.08090	9.9
113.06000	3.7
117.06994	5.3
119.08570	15.7
121.06505	18.0
121.10141	43.1
123.08081	10.5
127.03927	13.0
127.07555	7.5
128.76297	2.1
131.08557	4.7
133.10115	6.4
135.08061	5.4
135.11685	19.1
139.11208	4.9
143.08424	2.2
145.04965	2.3
145.10114	41.1
147.11656	6.9
149.05983	4.0
149.09633	19.8
151.07509	6.3
163.07510	2.8
163.11182	100.0
165.12711	2.3
167.10681	41.0
169.08607	92.0
169.12288	2.8
173.09621	8.8
181.12231	32.2
183.13824	3.1
185.11761	10.3
190.53079	2.1
191.10666	57.2
209.11748	29.7
209.15477	2.3
227.12790	72.6
227.16409	8.4
353.16080	3.0
389.13199	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	389.1805
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.09996	2.2
53.03933	3.7
55.01863	4.7
55.05512	5.7
57.03441	5.1
57.07063	3.7
61.02912	2.3
67.05505	24.3
69.03413	5.4
69.07062	7.3
70.06586	6.3
71.04990	15.3
71.35793	5.7
73.52310	2.6
79.05134	2.6
79.05502	28.3
81.03436	5.6
81.07049	7.4
83.04967	6.9
84.08132	4.2
85.02913	13.9
85.06544	100.0
86.09719	11.9
87.04411	3.1
88.54996	2.2
89.06047	13.3
90.06380	2.8
91.05479	26.4
93.07036	23.8
95.04955	10.3
95.08598	4.7
97.02935	4.3
97.06502	7.4
98.97558	4.3
99.04445	4.5
99.08086	4.1
102.28712	2.5
105.07040	21.0
107.04971	12.4
107.08582	27.6
109.02837	3.5
109.06512	7.7
109.10131	3.6
111.04435	14.6
117.07016	6.7
119.08594	16.2
121.06490	16.6
121.10156	19.2
123.04465	4.5
123.08062	5.3
125.05989	7.0
127.03912	5.1
129.07001	5.0
131.04938	12.7
131.08569	63.1
133.08606	6.9
133.10120	2.7
134.08914	2.6
134.73502	2.5
135.04416	2.8
135.08073	2.7
135.11656	4.6
137.05981	4.9
137.09608	9.4
145.10127	28.9
147.08037	6.9
147.11711	3.9
149.06041	3.5
149.09627	62.2
151.07529	3.8
163.07545	6.6
163.11159	21.3
165.09061	4.7
167.06982	5.0
167.10675	29.0
173.09529	5.1
173.12891	3.7
177.11221	2.9
191.08936	4.5
191.10669	70.1
191.14279	3.3
197.11633	3.0
209.11731	95.9
209.15218	4.5
227.12787	89.2
227.16336	6.2
327.17950	3.0
367.66837	2.8
372.23129	6.5
389.17868	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1783
Annotation	Trp Pro Ser
Peak:m/z	Relative Intensity
50.25260	0.4
56.96583	0.7
57.03433	0.4
60.68959	0.4
69.03427	1.2
69.77067	1.7
71.04956	0.5
72.08157	1.1
74.59054	0.4
79.05463	0.4
81.07048	0.5
84.08137	0.4
85.02907	2.0
86.09698	1.2
87.04443	0.5
97.02876	1.4
98.97593	2.1
105.07032	0.5
107.19016	0.4
119.96062	0.5
128.98607	0.6
130.70490	0.4
131.04817	0.5
137.05989	1.2
145.04930	0.5
158.99675	0.6
170.09673	0.6
177.00699	0.7
198.09215	1.2
209.11462	0.5
219.01715	0.9
237.02869	0.9
241.33788	0.4
244.15370	0.4
301.12610	0.6
307.57755	0.6
307.61395	0.5
371.12503	0.6
371.16763	5.8
381.89673	0.4
389.17831	100.0
390.18097	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.9
55.05511	1.1
56.96569	2.7
57.03426	1.8
62.31555	1.0
65.03928	1.4
67.05500	2.0
69.03422	5.3
69.07063	5.0
70.06594	3.1
71.01344	0.9
71.05004	1.6
71.07526	2.5
72.08155	2.9
73.02918	10.3
79.05493	2.6
81.03423	2.9
81.07050	2.4
84.08141	2.0
85.02907	12.1
86.09705	15.4
91.03969	1.8
91.05469	2.3
93.07030	2.4
95.04972	3.2
95.08627	1.7
97.02902	4.6
97.06534	2.0
98.97589	4.0
99.04466	1.1
101.85078	1.1
103.05450	1.0
105.07098	1.5
106.04884	0.9
107.05003	1.3
107.08614	1.5
109.02885	1.7
111.04435	1.1
116.98598	2.1
121.06633	1.0
121.10113	1.1
122.06055	1.3
123.04422	2.3
123.06376	1.7
123.08016	1.1
124.07619	7.7
127.03918	2.4
128.98628	1.2
131.08585	1.4
133.10178	1.4
137.05997	3.4
140.04681	14.0
141.05481	1.6
141.09052	1.3
143.11816	1.1
145.04938	2.5
149.05989	1.5
151.03940	2.3
153.05498	1.4
155.07022	19.6
167.07042	1.7
173.08255	1.0
181.04955	26.6
191.14380	1.4
193.08690	1.2
209.08173	4.4
219.01689	1.5
219.13303	1.2
227.09155	38.2
227.12657	3.4
229.07393	1.1
243.05388	1.2
251.02110	1.1
257.17694	1.0
257.20395	1.0
269.03549	1.2
273.06390	1.3
283.51263	1.0
343.12616	1.1
345.15228	2.1
367.87930	1.1
389.13907	8.9
389.17932	100.0
390.18311	1.6
395.06653	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48355	1.8
53.03955	1.8
55.01857	2.2
55.05514	12.0
56.05026	4.1
57.07078	2.3
60.04531	13.1
66.46875	1.9
67.05507	54.8
68.65433	2.3
69.07066	20.6
71.29983	4.6
79.05492	14.6
81.06582	4.2
81.07058	67.2
83.08606	9.2
85.06538	4.7
90.01113	2.8
91.05464	10.3
93.07047	28.8
95.08613	57.6
97.06523	2.3
97.10159	3.8
100.11269	16.6
105.07028	9.1
105.65528	2.0
107.08617	14.3
109.06525	3.6
109.10161	24.4
114.12814	3.5
117.07032	4.4
119.08566	4.9
121.10132	11.3
123.11717	8.2
126.12820	8.2
131.08519	5.8
133.10130	6.0
135.08180	2.6
135.11693	9.6
137.09630	6.3
137.13234	5.3
145.10144	5.8
147.11659	5.0
148.08844	12.6
149.09618	2.9
149.13254	4.8
154.12268	5.1
159.11703	2.4
163.11139	3.2
163.14870	3.0
173.13220	4.1
184.32076	2.0
187.92651	2.4
191.14439	2.3
195.13879	2.5
202.09904	7.3
209.15517	2.5
233.22691	2.9
243.21078	7.7
250.25372	2.6
261.22104	18.1
278.24786	34.3
279.23242	26.1
286.22882	3.3
296.21362	2.2
310.27368	34.1
314.22375	16.4
320.25815	33.0
346.25143	15.5
347.69711	2.3
352.28479	21.1
356.23505	100.0
388.16800	2.3
388.26096	32.9
392.94800	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	388.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30843	1.4
55.91466	1.4
57.07068	1.4
67.05505	2.5
69.03405	1.6
69.07067	4.6
71.04993	16.0
71.56525	2.0
72.92027	1.4
76.78389	1.4
79.05503	5.7
81.07048	5.0
83.08616	2.7
85.02898	3.0
85.06577	8.1
85.06991	2.3
91.05495	7.7
93.07054	8.9
95.04991	2.7
95.08598	10.7
97.02873	2.2
97.06529	18.1
97.46992	1.6
105.07040	9.4
107.08610	16.0
107.22721	1.7
109.06522	5.8
109.10198	3.8
111.08092	3.8
116.92050	1.4
117.07018	1.6
119.08599	8.7
121.10151	32.2
123.08100	2.9
125.84149	1.4
131.08572	7.6
133.10136	97.9
135.08043	13.3
135.11661	1.7
143.08495	2.0
145.10155	3.6
146.50305	1.6
147.11702	17.9
149.13266	17.7
158.10944	4.4
161.04849	1.8
173.13301	21.1
178.97995	1.7
191.14308	100.0
225.54147	1.5
242.58459	1.4
297.61758	1.7
388.20908	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	388.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	21.9
55.05502	29.3
56.96563	7.8
57.03434	28.1
57.07065	21.3
59.05000	96.9
65.03943	7.1
67.05500	100.0
69.07066	16.4
70.67561	18.7
71.04991	26.8
73.02914	75.7
73.61973	6.5
79.05489	57.8
81.03412	25.4
81.07065	58.9
83.01335	12.3
83.04990	26.4
83.08610	20.7
85.02910	53.7
85.06544	41.9
91.05482	32.6
93.07040	43.6
95.04964	20.4
95.08614	25.1
97.02901	10.7
97.06525	47.0
97.10153	10.3
99.04507	8.9
101.85886	7.4
103.25774	7.7
105.07018	15.4
107.04931	21.1
107.08596	29.2
109.06506	15.5
109.10137	20.1
113.06009	47.6
117.07031	14.1
119.08591	18.7
120.86807	7.9
121.10140	11.3
123.08038	21.5
125.09605	24.0
129.06926	9.6
131.07039	9.5
131.08548	20.7
133.10143	13.5
135.10782	7.3
135.11720	26.2
145.10146	33.7
163.11197	65.2
173.09615	18.8
173.11763	9.1
181.12270	15.6
184.07339	11.8
189.47562	7.2
191.10645	19.4
206.06032	8.0
207.13818	7.2
209.11734	37.5
227.12784	16.8
262.04935	41.2
285.15771	7.3
290.04510	15.9
301.09732	7.5
347.15280	11.0
365.15997	13.0
370.24442	7.5
388.11890	62.6
388.25262	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	388.18
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69395	0.6
55.05506	1.3
56.96565	32.9
63.29671	0.7
67.05496	2.4
69.03365	0.7
69.07061	1.5
71.56610	1.3
71.95245	3.0
79.05474	2.5
81.03389	0.7
81.07068	3.7
83.08608	1.5
84.96019	2.6
88.21342	0.6
89.60569	0.7
91.05454	3.0
93.07051	3.4
95.04948	1.4
95.08590	2.0
97.06527	1.7
97.10185	0.9
97.96783	1.5
98.97601	3.9
105.07024	3.1
107.08585	1.8
109.06508	1.2
109.10112	0.7
110.97564	8.4
113.84256	0.6
116.98608	2.3
117.07039	0.7
119.01739	0.8
119.08595	1.3
121.10105	1.5
123.01146	1.0
124.99027	1.1
128.98604	11.2
131.00127	1.0
135.08003	0.7
137.02692	1.4
139.00699	1.4
141.02209	1.0
143.00117	1.7
145.01695	1.0
146.99641	4.4
151.00728	1.0
151.04285	0.7
153.02226	3.0
155.03755	1.2
157.01741	1.9
159.03360	1.0
161.01141	0.9
163.02745	0.7
167.03804	1.1
169.01759	1.0
171.03310	12.8
173.04826	1.3
175.02805	1.7
181.05368	1.1
183.03262	1.8
185.04884	4.9
189.04323	11.8
191.03783	0.9
191.05878	1.4
194.04945	1.0
195.03304	0.8
197.04805	1.7
199.02777	0.9
199.06425	4.1
201.04303	2.1
201.07901	1.5
202.05232	0.8
203.05925	5.4
205.01807	0.8
205.05634	0.8
207.03406	0.7
209.04858	1.9
209.08568	0.8
211.06415	1.4
211.99716	0.6
213.08032	1.7
215.05898	2.3
217.07489	3.2
219.06984	1.2
221.04962	0.9
222.08005	0.8
223.02776	0.9
223.06424	1.1
225.04323	1.7
225.07933	1.4
227.05864	4.9
229.07420	1.5
231.03407	0.8
235.06412	0.9
237.07944	1.7
241.07344	0.9
243.08994	4.1
245.07063	2.8
249.04352	2.8
249.07928	1.0
250.05118	1.3
250.07402	0.8
251.05864	0.7
251.09496	1.0
253.07494	1.4
255.09036	5.1
260.07141	4.0
261.10162	2.0
261.92340	0.7
262.05069	2.5
267.08936	3.3
269.10568	2.3
273.10056	1.8
275.05933	0.7
277.07523	0.8
278.08215	15.3
279.09119	1.7
285.10162	1.2
290.04517	1.1
291.05109	0.9
295.08499	0.9
296.09369	5.1
297.10016	0.8
301.09830	3.1
301.14771	1.6
302.82489	0.7
303.16162	1.0
303.23346	0.8
319.15851	2.2
329.14227	27.5
337.16751	1.2
347.15295	100.0
348.15567	1.5
365.16370	52.5
366.16751	1.0
370.16901	10.9
383.17337	1.4
388.11838	3.8
388.17908	15.9
388.24826	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	96.7
69.65553	7.1
70.97784	2.8
70.98128	35.3
71.95258	14.7
84.96028	3.8
88.99169	9.5
97.99203	2.2
98.97600	9.2
105.00163	3.8
110.97590	3.0
116.98602	2.4
123.01187	4.2
127.00660	3.9
128.98665	2.3
139.00681	1.9
141.02217	4.4
145.01703	3.0
151.00647	7.4
152.01482	5.0
153.02226	8.1
155.03798	3.5
159.03249	2.4
165.02235	5.5
165.99359	2.6
168.00966	4.3
169.01755	10.1
169.05354	2.0
170.02510	7.5
171.03262	6.9
173.04829	4.0
179.03737	4.5
180.69006	2.2
181.05283	3.0
183.03258	2.9
184.00444	2.5
184.04111	14.7
185.04874	2.9
186.01971	9.2
187.02719	3.6
187.06389	5.4
188.03662	2.4
197.01239	1.9
197.04851	4.4
199.06412	3.9
202.05132	2.6
205.07370	2.7
209.08551	2.7
211.06381	2.0
221.04852	2.7
225.08009	3.4
227.09573	2.6
235.06416	1.9
235.10120	2.0
236.07199	2.2
239.09570	3.7
247.10075	4.8
250.08740	3.9
251.09364	2.8
254.11945	2.0
263.09460	5.6
265.11209	8.2
268.09869	14.3
278.08090	4.7
279.09180	1.9
279.12534	2.0
280.09845	2.0
281.10559	5.8
283.12125	3.5
286.10852	5.8
291.11487	2.8
295.12106	14.7
296.09293	6.5
297.13620	14.3
310.10867	74.8
310.14447	3.8
313.13531	3.9
315.16269	21.4
317.17868	7.1
328.11990	12.4
331.15775	4.9
333.17374	41.4
347.18845	83.7
351.13498	10.5
351.18353	5.9
356.18820	5.5
361.16873	2.7
363.18362	6.6
365.19992	100.0
388.21365	13.5
389.20096	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	388.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36684	0.4
53.31058	0.4
55.05445	0.4
56.96471	30.8
56.96959	1.1
67.05394	1.5
71.56565	0.6
71.95155	4.1
72.04445	0.4
72.95976	0.6
74.97530	0.9
78.37266	0.5
79.05396	1.2
81.06955	0.9
84.95915	2.0
85.06435	0.4
91.05353	1.4
93.06927	1.4
95.04865	0.9
95.08494	1.1
97.06453	0.8
97.96722	1.4
98.97463	4.0
105.00096	0.8
105.06907	2.0
105.07545	0.7
107.04843	0.6
107.08464	0.8
109.10076	0.9
110.97565	8.3
110.98256	0.5
115.00598	1.0
115.97758	0.7
116.98474	1.5
119.01598	0.5
119.08489	1.0
123.01078	0.9
127.00616	0.9
128.98602	8.1
131.00017	1.2
134.99567	0.8
137.02679	1.0
137.09518	1.3
138.68935	0.5
139.00522	1.4
141.02171	1.0
143.00024	1.5
145.01631	0.7
146.99670	3.9
149.01198	0.7
149.02559	0.4
151.00548	1.0
152.00098	0.9
153.02222	3.1
155.00102	0.6
155.03818	2.3
157.01601	1.3
159.03214	0.7
161.01105	0.9
161.04695	0.6
165.02151	0.8
165.72159	0.5
165.99289	0.5
167.00070	0.5
167.03670	1.4
169.01735	2.1
169.05298	0.7
170.01207	0.7
171.03278	12.5
173.04901	2.5
175.02692	1.8
177.02129	0.6
177.04189	0.7
179.03760	1.1
181.05202	1.2
183.03297	2.5
183.06812	0.7
184.03969	0.6
185.01122	1.0
185.04858	6.2
187.02664	1.0
189.04352	11.6
189.05957	0.5
191.03722	0.8
191.05746	1.1
193.05319	1.0
194.04797	1.3
195.03143	1.0
195.06850	0.6
197.04869	3.4
199.02654	1.2
199.06444	5.1
201.04216	1.6
201.07875	1.9
201.14763	0.8
203.04156	0.6
203.05893	5.5
205.05302	1.1
207.03246	1.0
207.05133	0.8
207.06941	0.7
209.04877	2.9
210.02066	0.7
211.06439	2.1
212.05722	0.8
213.04274	0.7
213.07919	1.2
215.05804	1.6
217.05345	0.8
217.07364	3.6
219.06895	1.3
219.08894	0.7
221.04788	1.0
221.08513	0.8
222.07851	0.6
223.02693	0.6
223.06340	1.1
224.03433	0.5
225.00710	0.7
225.04234	1.5
225.07877	1.5
227.04048	0.6
227.05925	6.6
228.06627	0.5
229.07457	2.7
231.03188	0.8
231.06917	0.8
235.02660	0.8
235.06285	0.9
236.24399	0.4
237.07834	2.3
239.05762	0.6
239.09398	1.6
241.07387	1.4
243.09042	5.2
245.06839	2.7
247.06252	0.6
247.08418	0.7
249.04475	2.4
249.07932	1.3
250.05045	1.4
251.05760	0.7
251.09488	1.1
253.07527	0.8
253.10971	0.6
255.09006	8.1
260.07269	3.6
261.07620	0.6
261.10001	1.7
262.05017	1.2
263.09650	0.7
263.13010	0.6
265.07376	1.7
266.10696	0.6
267.06149	0.4
267.09015	2.5
269.10605	3.4
272.05829	0.6
273.09924	2.3
277.07413	0.7
278.08234	13.1
278.10886	0.8
279.09009	2.6
283.08459	3.2
285.10052	1.2
287.11664	0.8
289.11041	1.0
290.04327	0.7
291.12582	0.5
295.08453	1.2
296.09445	3.0
297.10101	1.0
301.09659	3.0
301.14783	1.4
303.12784	1.0
303.16040	0.9
306.10315	0.6
307.12097	0.8
311.13019	0.6
317.14175	1.4
319.15692	2.8
321.13730	1.5
321.17383	1.0
329.14233	32.6
330.14609	0.8
335.15335	0.9
337.16870	1.8
347.15305	100.0
348.15594	2.0
355.17725	0.7
365.16379	75.5
366.16663	1.4
370.16913	12.4
370.24475	0.8
383.17456	3.8
388.12061	1.7
388.17917	17.3
388.24951	1.2
389.18167	0.9
406.19244	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	26.3
63.29372	0.5
71.27054	1.0
71.95260	2.9
72.96029	1.1
74.97625	0.5
78.77090	0.5
84.96019	1.3
87.28848	0.5
87.37152	0.5
91.05478	0.6
97.06528	0.6
97.96825	0.8
98.97589	0.9
105.00148	2.1
110.97564	3.9
115.00665	1.5
119.01700	0.8
123.01206	1.0
128.98610	3.6
129.02280	2.5
133.01743	0.6
133.37772	0.5
137.02750	1.4
139.00688	0.9
141.02240	1.4
146.99646	0.9
147.03291	1.3
151.00661	1.2
153.02245	1.6
155.00122	0.6
155.03770	0.9
159.03270	1.6
165.02199	0.7
167.03798	1.5
169.01741	0.8
169.05432	0.6
171.03282	1.7
173.02603	0.5
177.02222	0.7
177.43520	0.5
179.03775	1.1
183.03258	1.4
184.00429	1.1
185.04800	2.5
189.04311	0.8
191.03777	1.0
193.05373	0.8
197.04881	1.2
199.06456	2.2
200.44936	0.4
201.04317	0.5
202.01413	0.7
203.05873	1.6
203.07591	0.6
205.05341	1.3
205.07248	0.6
207.06956	1.6
209.04924	0.6
211.06483	0.8
213.07967	1.1
215.05836	0.5
217.07402	1.2
219.06915	1.7
221.04872	0.8
221.08485	0.7
223.06456	1.0
225.07942	6.8
229.07413	0.6
231.06989	0.7
233.08524	0.9
235.06474	0.9
235.10097	1.3
237.07973	5.9
239.09550	1.1
242.61690	0.5
243.09059	2.9
245.08443	0.7
248.09505	0.6
249.08075	0.7
251.05922	0.7
251.09567	1.9
253.11116	8.5
255.09100	2.1
257.08463	0.6
257.10785	0.6
259.10309	0.6
263.09546	1.3
265.07611	0.5
269.10690	0.8
271.12216	3.0
273.11649	0.9
275.09583	1.9
281.10782	0.9
283.13712	0.5
285.15280	0.6
289.11044	1.0
291.12631	1.7
293.10501	1.4
301.14722	0.8
303.16418	0.5
311.13080	0.9
316.98441	0.5
329.10202	0.8
329.14224	24.6
347.15295	100.0
348.15887	1.2
365.16360	60.2
366.16647	0.7
370.16849	4.4
383.17279	0.9
388.17831	7.6
406.25153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36245	0.7
51.72610	0.8
53.03947	4.7
55.01870	7.2
57.03436	4.7
61.02932	6.3
68.99779	1.6
69.03430	34.4
70.06593	0.9
70.25225	3.4
71.04981	3.8
73.02917	6.5
74.53722	0.8
76.06667	0.8
81.02927	1.1
81.03413	22.8
85.02906	100.0
86.03236	0.8
87.00829	43.0
91.03959	1.9
91.05523	0.8
97.02891	29.5
99.04452	13.8
103.03937	1.1
105.01867	68.7
105.07031	14.1
107.10886	0.6
108.04478	3.3
109.02882	29.2
115.03907	1.3
117.01807	1.6
121.10210	0.8
126.05522	1.5
127.03915	72.4
129.01823	4.7
145.04961	37.4
147.02859	2.1
159.02882	16.6
166.07336	0.8
167.07018	2.6
168.07368	1.0
171.02960	0.9
177.03952	1.9
189.03961	3.9
213.03937	3.2
213.09065	2.5
230.06535	1.6
231.05009	28.2
231.10007	1.0
238.84985	0.9
244.96364	0.8
248.07664	2.5
249.06082	10.9
307.02075	0.8
335.11230	1.2
388.16486	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01864	1.0
55.05490	0.6
57.03431	0.8
61.02925	1.7
67.05497	0.4
68.17419	0.4
69.03429	6.6
69.87852	0.6
69.88251	1.2
70.06583	0.5
71.04997	1.2
73.02911	1.2
75.76126	0.3
77.03899	0.3
79.05496	4.8
81.03424	3.2
81.07041	0.6
83.04999	0.6
85.02905	12.3
86.09695	0.6
87.00831	6.1
87.04439	0.7
90.32046	0.5
91.03973	0.4
91.05486	0.9
93.07018	0.4
95.04960	1.1
95.08628	0.4
97.02892	12.0
97.06520	0.9
97.15144	0.4
98.97562	0.7
99.04469	2.7
103.05456	2.9
105.01870	11.3
105.07031	100.0
106.07376	1.4
107.08546	0.6
108.04510	0.5
109.02869	2.8
119.08592	1.1
121.10124	0.7
123.08012	0.6
127.03918	12.3
131.08606	0.5
137.05991	1.1
143.08548	0.6
145.04967	11.2
152.14720	0.5
159.02879	1.8
189.09094	0.6
191.10652	0.4
207.13744	0.4
213.09149	0.6
223.07982	0.4
231.05009	6.0
248.07312	0.5
249.06067	3.2
250.15376	0.5
370.16476	0.6
378.97928	0.4
381.66263	0.4
388.17493	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
54.34755	1.6
55.01869	5.0
55.05513	17.8
57.07082	3.5
67.05511	25.7
69.03428	2.8
69.07072	16.9
71.22869	2.5
71.23215	3.1
79.05499	25.4
81.07055	37.9
83.04992	5.6
83.08627	6.7
85.06552	2.2
91.05492	30.0
93.07054	23.4
95.04983	3.5
95.08607	25.1
97.06541	4.2
97.10188	4.1
97.19218	2.0
105.07038	25.2
107.04945	3.7
107.08596	18.6
109.06538	6.5
109.10175	9.0
111.08080	3.1
117.07024	12.7
119.08591	22.9
121.06533	9.7
121.10118	10.0
123.08054	3.9
123.11714	3.5
123.67743	2.0
128.06187	4.3
129.06993	12.3
130.07791	2.6
131.08588	17.3
133.06502	7.7
133.10147	17.1
135.08046	6.7
135.11734	3.5
141.06970	4.1
142.07832	3.5
143.08568	14.4
145.06480	7.5
145.10147	13.8
147.08023	9.1
147.11708	9.3
149.09641	11.0
149.13341	3.3
151.11169	2.9
155.08560	6.1
156.09297	3.2
157.10132	12.9
159.08089	5.8
159.11716	10.4
161.09625	13.2
161.13292	6.5
167.08562	2.9
169.10118	5.9
171.11684	9.9
173.09618	8.5
173.13239	3.9
175.11179	12.1
177.12796	3.8
183.11754	5.3
185.13275	6.0
187.11203	5.0
187.14850	3.2
189.12810	4.6
189.16452	2.0
197.13254	4.2
199.14825	7.4
201.12819	5.3
201.16449	4.5
203.14227	3.5
211.14711	2.6
213.12737	2.6
213.16325	3.4
215.14371	2.9
217.15863	3.3
225.16444	3.2
227.18008	3.0
229.15877	4.6
231.17751	2.1
239.18001	2.8
243.17439	2.5
257.18951	3.9
266.24777	2.3
285.18600	3.5
287.19998	5.6
299.20074	4.9
309.25739	3.0
319.22928	3.1
327.26892	5.8
337.25284	13.8
353.81024	2.0
355.26318	100.0
356.26495	2.7
387.16165	3.1
387.28970	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2012
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
53.90551	2.0
55.05490	1.8
57.03398	1.9
63.37812	1.7
67.05502	6.9
67.48045	1.8
69.03432	26.6
69.07053	4.0
69.28493	1.9
70.90896	2.6
70.91225	2.8
71.04994	4.1
73.02915	3.3
79.05505	2.8
81.03412	10.0
81.07067	14.3
83.04971	2.5
85.02906	100.0
91.05480	5.6
92.52313	1.7
93.07042	6.5
95.08603	30.7
97.02874	13.4
99.04457	3.7
105.07037	12.9
107.08590	6.1
109.02873	4.3
109.06548	4.2
109.10153	20.0
111.04486	2.3
111.17919	1.8
119.08582	20.5
121.06506	2.1
121.10146	11.4
123.08070	34.8
123.11712	65.1
125.06000	32.0
127.03928	8.0
131.08595	3.3
133.06496	2.6
133.10139	11.8
135.11707	26.6
137.05884	2.7
137.09645	4.3
137.13234	4.3
139.07536	5.2
145.05077	3.4
145.10106	4.2
147.08063	6.5
147.11722	19.5
149.09624	23.3
151.07520	13.8
156.09338	3.9
161.13252	40.3
161.54665	1.7
165.12685	2.4
171.11725	4.2
174.10361	4.9
179.14319	2.3
181.12225	2.3
189.12733	38.6
191.77272	1.9
207.13811	70.0
225.14854	54.1
247.43112	1.9
283.66724	2.2
333.16843	12.1
351.18045	18.4
369.19052	8.4
381.84836	2.6
387.15216	4.3
387.20151	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	387.2013
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
50.49403	2.5
53.03946	3.4
55.05506	5.0
57.03418	3.2
57.07073	5.0
60.26468	2.5
66.38847	2.5
67.05508	23.3
69.03430	17.3
69.07066	3.0
69.74434	13.3
71.05002	3.0
77.61234	3.0
79.05482	3.8
81.03413	6.4
81.07065	15.8
83.04996	3.2
85.02435	4.3
85.02912	67.7
85.06523	11.4
86.43221	2.7
91.05478	4.4
93.07037	10.5
95.04950	5.1
95.08614	86.9
97.02919	12.4
99.04456	4.7
105.07014	11.6
107.08617	13.1
108.81643	3.0
109.02848	3.3
109.06485	4.7
109.10162	14.9
112.62813	2.6
113.06005	12.2
119.08588	22.3
121.10189	15.0
123.08075	29.1
123.11709	67.8
125.06001	12.4
127.03896	12.2
131.08568	3.3
133.06485	2.8
133.10152	4.5
135.11691	10.1
145.10126	5.4
147.08043	3.4
147.11696	21.6
149.09624	31.9
151.07529	12.2
156.09390	3.8
161.13225	15.9
163.11200	9.1
165.12737	8.8
167.10692	2.8
177.02919	2.4
189.12723	26.8
207.11917	6.1
207.13820	100.0
207.15758	5.9
225.10985	5.2
225.14877	26.5
226.73900	3.1
333.17050	18.6
351.18039	29.9
369.18961	9.8
387.16077	12.1
387.20462	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	387.2013
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.35915	2.9
53.03911	3.0
55.05520	4.8
57.03423	2.7
57.07058	2.5
58.04866	2.8
61.54053	2.5
67.05503	14.8
69.03088	4.4
69.03432	66.3
69.07056	11.2
70.03791	3.0
71.05021	3.0
73.09585	2.6
79.05486	10.6
81.03407	3.5
81.07071	20.1
83.04976	5.3
85.02887	11.5
91.05472	8.8
93.07043	11.5
95.04961	10.1
95.08628	14.0
97.02905	4.9
97.06519	7.7
98.21519	6.5
98.97554	4.3
99.04460	3.5
105.07039	21.3
107.04958	6.2
107.08598	9.1
109.06523	17.1
109.10178	7.5
111.08081	5.0
117.83030	2.7
119.08577	18.4
121.06467	3.9
121.10156	18.1
122.07314	4.5
123.04432	13.4
123.08058	10.1
127.03875	5.0
131.08560	2.5
133.06473	8.4
133.10124	52.2
135.08038	5.5
135.11720	3.1
137.05986	20.4
137.09616	37.6
139.11192	36.0
143.08549	3.8
145.04898	3.0
145.10065	3.8
147.08018	6.4
147.11688	21.4
149.09651	5.6
151.03929	3.6
151.07521	11.3
156.09343	6.0
159.11687	4.8
161.13295	13.0
163.11191	8.9
165.12788	3.4
167.07007	5.0
169.03159	3.3
171.11693	12.6
174.10426	5.4
177.12724	2.7
181.04906	3.6
182.61655	2.6
189.12755	47.9
207.13820	100.0
211.04237	7.0
225.14870	64.2
385.11551	3.8
387.15094	4.3
387.19986	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33893	3.8
53.03945	13.2
55.01872	8.5
55.05511	29.9
56.96567	7.6
57.03445	8.1
57.07074	5.0
58.38493	4.0
67.05172	6.5
67.05505	62.6
69.03416	10.4
69.07075	25.4
71.04999	8.5
71.56399	7.7
79.05497	93.3
81.03420	36.9
81.07059	65.7
83.04985	13.8
83.08611	15.5
85.06561	9.0
91.05486	89.4
93.07050	72.9
95.05003	27.1
95.08610	35.8
97.06547	23.4
97.10165	6.4
99.08065	7.6
103.05454	9.4
105.03413	5.6
105.04498	6.1
105.07035	75.8
107.04955	13.6
107.08604	38.9
109.06536	10.4
109.10166	18.0
111.08106	5.8
115.05463	12.2
117.07028	14.2
118.14387	4.9
119.08592	52.1
121.10141	23.4
123.04433	5.2
123.08065	10.2
125.09608	6.5
128.06252	7.6
129.07016	34.6
131.08578	36.7
133.02861	13.5
133.06490	5.7
133.10152	56.7
135.04446	5.5
135.08086	11.3
135.11716	13.1
137.06012	5.2
137.09642	7.8
139.07558	6.0
141.06979	9.7
142.07771	8.9
143.08571	14.1
145.02806	5.5
145.10110	22.7
147.08037	15.4
147.11693	36.3
149.09628	16.2
149.13232	6.0
151.07550	16.5
155.08543	4.9
156.09415	5.9
157.06499	11.5
157.10132	28.2
158.10818	4.3
159.04430	23.2
159.11713	17.0
161.02348	34.5
161.05930	5.9
161.09633	10.6
161.13258	6.6
162.03134	4.6
163.03923	62.3
165.05475	9.3
165.06902	7.2
165.09119	10.1
169.06494	5.4
171.04466	4.5
171.11639	8.6
173.02347	34.5
173.06062	7.6
173.13319	6.4
175.11226	31.5
176.11963	26.3
177.12720	11.5
185.05978	14.7
185.13307	5.0
187.03909	68.3
189.05458	7.4
189.12788	11.3
193.12280	25.6
197.06049	5.8
199.03920	32.9
199.07552	5.3
201.05484	10.9
203.14334	5.7
207.13876	10.4
213.05453	62.6
221.15370	20.9
223.12938	4.5
225.05501	16.8
227.07071	10.7
239.07060	25.1
253.08769	4.9
262.92734	4.2
267.13818	16.7
293.11816	4.5
307.18945	4.6
309.14841	11.3
311.12753	15.8
311.16202	8.4
319.13260	14.5
327.15967	7.7
337.14365	100.0
355.15244	19.5
369.16986	17.6
369.24243	15.1
387.25278	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.8
55.01866	6.0
55.05514	20.4
55.45480	2.1
56.96556	4.4
57.03429	3.8
67.05505	38.7
67.12773	1.9
69.03437	5.1
69.07063	9.5
69.21414	20.7
71.04989	3.8
76.07173	2.5
79.05496	39.5
81.03422	68.2
81.07056	39.6
83.04970	10.9
83.08628	12.7
85.02917	3.7
85.06517	2.6
91.05479	40.1
93.07046	29.7
95.04980	20.1
95.08604	13.4
97.02912	2.2
97.06532	19.6
97.10146	7.3
103.05428	2.9
105.06395	1.5
105.07030	39.8
107.04948	5.0
107.08595	11.3
109.06514	7.0
109.10170	11.1
111.08071	3.6
115.05459	5.2
117.03328	2.9
117.06984	6.9
119.08584	27.2
121.10157	16.5
123.08079	3.7
123.11700	3.0
128.06241	2.9
129.06982	14.5
131.04889	2.7
131.08569	12.3
133.02843	3.4
133.06506	2.7
133.10120	15.3
135.08008	3.0
137.09567	3.0
137.13222	2.4
141.06998	6.5
142.07739	3.9
143.08565	3.3
145.02843	2.8
145.06465	4.4
145.10069	6.2
147.04411	4.2
147.08006	3.1
147.11707	20.7
149.09630	13.5
151.11169	2.3
157.06467	4.6
157.10191	12.7
159.04460	12.1
161.02298	7.0
161.05994	4.0
161.09723	3.2
163.03903	61.0
163.11107	2.8
165.06918	2.3
165.09280	2.5
165.12756	8.5
169.06435	3.3
169.10178	3.0
171.04559	2.5
171.08098	2.3
173.02344	21.7
173.05939	6.1
175.03886	3.3
175.11192	7.6
176.11960	12.7
183.08093	4.2
185.06015	8.1
185.09583	2.6
187.03917	24.1
187.07602	3.7
193.12190	15.6
197.05945	3.1
199.03908	12.8
199.07515	3.1
201.05463	9.3
203.03427	2.8
211.07588	4.9
213.05495	23.4
213.09029	4.5
223.11201	2.4
225.05492	7.0
225.08989	3.8
225.14821	2.8
227.07132	3.2
229.05006	2.6
231.82033	2.3
239.07014	3.4
265.12198	3.2
267.13818	48.1
277.21750	3.3
283.13254	5.2
285.14685	2.9
291.13760	3.1
293.11612	8.4
293.14777	2.6
309.14832	7.2
311.12744	20.6
311.16415	13.6
327.15860	4.7
337.14316	22.3
346.13937	3.6
349.16922	2.8
355.15396	100.0
369.17026	4.5
370.97375	2.4
387.18066	4.6
387.25485	4.8
394.81198	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67656	1.1
52.03111	1.3
56.52951	1.1
56.96557	3.1
57.03432	1.4
61.02914	2.0
69.03412	4.2
69.85039	6.3
70.06591	6.7
72.08132	1.5
74.02440	16.8
81.03401	1.8
84.08185	1.1
85.02904	7.8
88.03966	3.2
92.04993	4.0
97.02888	3.2
98.97567	4.4
108.04460	1.7
109.02848	1.6
110.06044	100.0
110.97600	1.7
116.98624	1.4
121.59861	1.2
124.13767	1.1
127.03917	2.1
134.05997	4.4
136.03957	1.2
137.05969	2.0
141.19438	1.2
149.05931	1.3
161.07117	6.6
170.99617	1.4
178.01781	1.2
179.08162	11.9
190.05009	1.7
196.12315	1.6
200.16473	1.1
201.00627	1.8
207.07607	16.0
207.13803	1.7
217.11797	2.1
223.04256	2.7
225.08705	63.5
237.02716	1.8
285.03400	1.2
338.14554	1.6
343.13382	1.4
387.07663	1.9
387.12292	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	387.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
54.04260	0.6
55.01874	0.8
55.05484	0.7
55.74473	0.6
56.96554	1.6
57.03431	0.9
58.39532	0.6
61.02921	1.7
67.05500	0.8
69.03426	3.3
69.83007	1.4
69.83410	2.8
70.06594	3.4
71.04979	0.7
72.08138	1.2
79.05497	1.0
81.03411	2.2
81.07053	1.3
83.05018	0.8
84.08138	1.3
85.02911	6.2
86.09695	3.3
87.04485	0.8
91.05471	1.8
93.07034	1.3
95.04980	1.1
95.08609	1.2
96.92426	0.7
97.02883	3.2
98.97569	3.2
99.04433	1.7
104.10740	1.6
105.07017	1.2
107.08570	1.5
109.02869	1.5
109.10143	1.1
110.07108	0.7
110.97556	1.2
115.03949	0.9
116.98639	0.6
117.06985	0.7
119.01900	1.4
119.05006	0.7
119.08604	1.1
120.04450	0.7
121.06507	0.7
121.07620	1.4
121.10144	1.2
123.08079	0.7
127.03913	2.7
128.50032	0.7
131.08640	0.8
133.10130	0.8
137.05994	0.8
139.07324	2.6
139.08664	4.5
142.25836	0.7
143.01909	1.0
145.04973	1.9
147.04440	1.1
147.08034	0.7
147.11699	1.4
149.09625	1.3
151.07544	2.5
155.01895	0.7
158.99638	1.1
159.11800	0.7
161.02986	1.7
182.62602	0.6
184.07341	1.8
187.04105	0.7
189.12759	0.9
197.69243	0.6
199.08054	1.0
199.18013	0.7
202.60332	0.6
203.03931	1.4
207.13821	2.7
221.05026	3.4
225.11028	2.2
225.14874	1.4
225.16939	0.9
227.05228	1.3
271.04352	1.2
291.10675	0.7
298.08337	0.7
301.12668	6.6
320.19388	0.6
325.12762	0.7
343.13626	30.7
345.72601	0.7
387.12555	100.0
387.16367	18.0
388.12680	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1262
Annotation	Axitinib
Peak:m/z	Relative Intensity
53.03945	0.8
55.01869	0.8
55.05499	2.5
56.96561	0.9
57.03426	2.4
61.02912	2.0
63.39989	0.6
65.47240	0.6
67.05501	0.9
69.03430	8.6
69.67476	4.2
70.03752	1.0
70.06585	3.1
72.08152	1.7
73.02908	1.4
79.05493	1.2
81.03413	1.8
81.07053	2.5
83.04975	3.8
85.02907	12.7
86.03226	1.0
86.09697	1.0
86.37015	0.6
87.04456	2.7
88.04812	0.6
91.03979	0.6
91.05481	1.5
93.07092	1.3
95.04970	8.9
95.08607	1.2
97.02892	6.2
97.06505	0.8
98.03220	1.2
98.97588	3.0
99.04441	2.2
105.07052	1.0
107.08598	2.3
109.02894	2.0
109.06476	0.9
109.10164	1.1
110.97611	0.7
115.03963	3.5
116.04294	1.1
119.01920	1.7
119.08599	0.8
120.08157	1.0
120.28315	0.6
121.10106	0.9
123.08046	0.9
125.09616	0.8
127.03918	3.6
128.04219	0.8
131.04840	0.6
133.05013	3.3
134.05298	1.6
137.05975	1.6
137.09659	0.8
139.07341	1.9
139.08638	0.8
140.02968	0.7
143.01938	0.8
145.04933	2.8
146.05257	1.1
149.09622	1.1
151.11194	0.8
153.09100	2.4
153.12747	2.7
155.01909	0.7
158.99684	0.9
161.02946	1.2
163.05974	1.4
165.09245	1.1
177.00768	1.0
189.12646	1.0
195.13779	8.0
207.13858	2.7
219.01782	0.9
221.05064	2.7
225.07399	0.6
225.11075	0.9
225.14847	4.5
227.05386	1.1
237.02777	0.7
253.13438	0.9
271.04236	0.9
301.12579	7.3
325.12845	0.9
341.14993	1.5
343.13620	33.5
369.11444	0.9
387.12552	100.0
387.16400	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	386.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.2
55.05508	16.4
56.96562	22.5
57.03431	6.0
57.07069	15.7
57.14413	3.7
61.02911	6.8
67.05486	14.7
69.07066	10.5
69.73634	19.7
71.05004	21.5
73.02905	4.2
78.82242	3.0
78.87090	3.2
79.05497	18.1
81.03428	5.8
81.07047	19.3
82.80704	3.0
83.04974	31.3
83.08606	6.3
85.02894	9.1
85.06577	3.1
91.04950	3.5
91.05477	13.7
93.07042	18.8
94.07381	3.9
95.04967	3.7
95.08604	8.6
96.08958	3.5
97.06523	10.2
99.08099	4.0
101.06017	8.5
105.04448	4.1
105.07026	8.4
106.07358	5.3
107.08636	3.7
109.10139	8.2
110.97571	3.6
119.08576	9.9
121.10084	4.2
122.10361	3.9
127.03950	4.3
129.06996	5.4
131.08545	5.9
133.10071	6.1
145.10124	6.2
147.11642	7.2
149.09676	5.3
156.78136	3.4
157.10074	6.1
159.11710	3.7
161.71820	3.8
169.01723	4.4
175.01550	100.0
185.04695	3.3
227.04645	6.0
229.07492	5.3
231.07970	6.0
251.09579	4.0
275.06848	9.3
276.20303	5.7
278.15875	4.0
293.21204	4.6
294.21570	21.5
302.17554	9.8
303.18240	3.9
327.12454	5.5
331.13007	94.9
345.13696	15.3
349.16919	5.6
363.14511	18.4
368.25244	11.5
381.15839	5.6
386.21640	5.3
387.19315	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	386.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.4
54.36665	10.6
55.05499	39.4
56.96564	21.2
57.03436	14.9
61.02905	15.2
67.05507	66.6
69.03407	23.4
69.07050	26.8
71.05009	12.9
71.08614	8.0
71.52234	8.9
71.57019	11.9
79.05484	58.1
81.03404	26.2
81.07063	100.0
82.02772	9.2
83.04951	13.7
83.08611	22.9
85.02898	10.2
85.06541	16.3
91.03950	10.4
91.05478	48.6
93.07016	71.9
95.04958	25.9
95.08598	40.4
97.02829	9.5
97.06512	36.1
97.10151	25.9
99.08089	40.8
99.78833	11.6
105.07033	42.1
107.08573	34.8
109.06502	19.1
109.10168	15.0
111.08051	16.6
119.08565	27.0
121.10129	23.9
123.08039	19.2
125.09615	29.9
131.08539	21.8
133.10149	24.8
135.08064	18.6
135.11665	23.0
142.12292	10.2
145.10136	17.4
147.08072	15.2
147.11707	16.4
149.09604	13.1
153.09177	11.9
157.10152	18.0
159.11703	18.6
175.11293	10.3
177.12691	10.6
193.12233	13.9
203.12752	17.6
207.20282	10.5
211.07806	9.8
223.13428	11.8
225.20544	9.6
228.54890	8.9
237.14987	13.8
277.21527	13.1
305.21146	45.7
323.22079	27.9
337.14175	23.2
349.16577	10.9
350.27347	10.9
386.23892	12.0
386.29065	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	386.29
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07540	25.4
55.05491	26.5
57.21412	23.9
67.05496	57.7
69.07075	37.6
69.79191	100.0
69.79613	40.8
75.18712	26.5
79.05497	54.1
80.69318	23.6
81.03407	24.6
81.07055	63.0
85.02876	21.8
85.06528	36.9
85.32705	24.8
90.30205	21.1
91.05497	44.0
93.07044	55.8
95.08552	26.8
97.06521	85.3
101.76532	23.4
105.07027	61.7
106.58257	25.5
119.08572	48.1
131.08502	31.2
132.67131	27.5
133.10147	38.1
135.08047	27.9
143.42676	27.8
147.11629	25.0
156.61569	25.0
215.60701	25.2
291.24973	26.7
312.07767	31.3
325.28381	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	386.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.01873	3.4
55.05490	1.7
56.96568	3.4
57.03436	20.2
59.04991	3.2
61.02921	9.2
66.41443	1.3
69.03429	60.3
69.64507	3.7
69.64919	5.6
70.06599	7.1
71.01346	1.8
72.08156	4.0
73.02920	12.0
79.05486	1.6
80.17681	1.2
81.03408	5.7
84.04481	1.4
84.08141	1.6
85.02902	100.0
87.04467	37.9
91.03950	4.4
91.05479	1.9
95.05012	2.6
97.02892	57.3
97.03532	3.1
98.97579	7.0
99.04453	6.1
99.08030	1.4
107.08597	1.9
109.02890	5.3
110.97564	1.4
115.03927	62.3
116.98591	2.2
117.05479	1.7
117.41748	1.5
127.03921	24.1
131.30255	1.4
133.04961	76.2
138.09145	1.7
139.08775	1.6
145.04962	42.0
147.04449	2.5
150.07642	5.6
158.99648	2.3
162.91263	1.4
163.06015	19.4
167.07094	1.5
187.68561	1.3
198.13164	1.5
202.06761	1.8
207.12082	1.5
219.01694	3.3
237.13255	3.9
241.07170	3.1
259.08160	5.7
277.09180	2.8
293.09048	1.8
295.10202	4.1
343.13593	5.3
386.14896	5.9
387.12167	15.8
387.16464	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	385.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56039	0.9
55.01869	2.9
55.05512	13.0
57.03433	2.0
57.07075	0.9
62.53102	0.8
67.05503	11.3
67.51601	0.9
69.03436	2.6
69.07072	8.7
71.04992	1.3
71.08636	12.6
71.36210	1.8
79.05490	11.1
81.03410	3.7
81.07056	11.5
83.04981	3.8
83.08630	4.7
84.55650	1.0
85.02888	1.8
85.06538	2.4
91.05471	6.1
93.07043	11.4
95.04974	6.8
95.08601	7.1
97.02933	1.0
97.06547	2.6
97.10181	4.5
99.08096	8.1
105.07059	7.3
107.04951	2.6
107.08610	7.2
109.06514	4.1
109.10150	5.5
111.04436	2.5
111.08107	1.6
117.07010	2.9
119.08562	4.5
121.06532	6.3
121.10155	3.7
123.04494	1.8
123.08108	1.5
125.09647	3.4
129.07013	1.9
131.08522	4.9
133.10109	2.1
135.08014	1.5
135.11728	1.5
137.09610	1.3
141.34917	0.9
145.10147	2.8
147.11699	1.7
149.09622	2.9
151.07637	1.0
151.11194	3.7
159.11700	1.7
164.12015	1.3
165.12778	3.1
167.10701	1.1
167.76294	1.1
173.13332	1.4
177.12776	2.6
179.10646	1.1
181.12239	11.3
183.11719	1.5
189.11227	2.5
191.14423	0.9
193.12268	2.6
200.08253	1.9
201.09174	0.9
211.13297	2.7
215.14363	1.6
228.07811	2.9
229.08685	1.8
237.14883	1.0
257.19180	1.0
275.20050	6.0
288.37720	1.1
289.21576	2.1
290.92471	1.1
293.21121	100.0
294.21640	1.7
305.21194	2.4
325.14340	8.6
351.25323	8.7
367.24863	32.1
385.16306	1.6
385.24005	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	386.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.2
56.96565	8.7
57.03419	3.8
59.36934	2.7
67.05506	4.1
69.03423	11.6
69.89640	2.7
70.06594	6.9
71.55396	4.6
79.05486	8.8
81.03403	4.6
81.07028	3.9
84.80247	2.9
84.96072	2.9
85.02914	22.6
91.05479	16.2
93.07059	15.9
97.02909	7.9
98.97573	9.6
103.05476	13.6
105.07000	10.2
107.04974	4.9
109.02878	9.2
110.06023	5.8
110.97579	4.3
116.98608	5.8
120.08104	8.0
121.06518	27.0
121.10181	2.8
123.04417	4.8
123.07998	4.5
127.03910	6.2
128.98611	4.3
129.07059	3.5
131.04927	7.4
131.08517	6.9
133.06488	6.4
133.10132	32.6
135.04402	3.1
137.05922	7.3
138.09146	4.6
145.10118	3.7
147.04425	3.7
149.05991	100.0
149.09615	14.1
149.78162	3.1
161.05988	7.4
161.09627	27.0
164.07097	13.9
167.07068	27.5
173.06006	5.6
173.09642	4.8
177.05475	37.8
186.87445	3.0
187.07626	8.0
189.05478	3.8
191.08659	3.2
191.10797	3.7
193.12207	10.5
199.07538	4.4
201.09067	3.5
204.06523	7.8
215.10641	5.4
219.08212	4.4
223.11160	3.6
225.09077	5.3
232.09000	3.7
234.10593	4.5
235.07384	3.5
237.02740	4.9
237.09106	5.6
237.12741	4.2
245.07896	3.7
247.07484	5.0
249.09050	3.9
251.10855	4.8
253.08904	4.1
253.12076	6.0
258.10773	4.2
261.09210	6.6
261.12939	4.2
262.09836	6.1
263.14221	5.5
265.08420	4.4
265.12070	4.5
273.12607	6.3
273.64999	3.3
274.10703	3.7
275.06522	3.3
277.08615	3.4
281.15320	4.7
290.09338	7.0
291.10425	5.4
291.13770	14.0
293.08243	3.9
293.11615	6.0
295.13052	5.8
301.12170	4.0
304.10788	4.8
307.13379	8.5
308.16516	4.1
309.14886	13.1
310.14828	5.4
311.12866	7.7
319.13309	29.6
327.92380	3.6
336.16205	5.2
337.14325	47.3
351.15900	13.4
354.16983	18.7
368.18478	11.0
369.17004	31.5
386.14740	5.5
386.19385	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	385.2373
Annotation	Gerronemin B
Peak:m/z	Relative Intensity
51.33219	2.0
55.01865	3.1
55.05502	10.9
59.04990	5.3
60.04517	2.1
64.37350	2.4
66.63660	2.1
67.05507	12.4
69.03420	7.1
69.07056	6.1
71.04973	4.9
71.56333	2.8
79.05482	13.4
81.07061	17.4
83.04986	5.5
83.08611	8.2
85.06539	5.2
91.05475	15.3
93.07042	20.9
95.04958	9.1
95.08604	17.0
97.06522	9.6
103.05486	2.2
105.07044	27.3
107.04979	2.5
107.08592	27.6
109.06508	10.2
109.10140	6.4
111.04418	4.6
111.08086	17.2
113.09619	3.0
117.07030	7.9
119.08585	27.3
121.06489	6.3
121.10133	12.8
123.08053	23.3
123.11733	2.4
125.09577	4.7
128.06248	3.3
129.06984	6.4
130.07777	5.2
131.08571	26.1
133.06483	7.5
133.10120	10.0
135.08041	9.6
135.11690	22.9
137.05975	20.4
137.09645	4.4
139.07542	3.7
141.07089	3.4
142.07796	3.9
143.08560	6.7
144.09302	8.5
145.06441	3.8
145.10114	32.4
147.08022	12.1
147.11679	5.8
149.01271	2.8
149.09627	9.8
151.07538	49.2
153.09157	3.7
155.08540	5.6
155.10652	6.3
156.09341	3.5
157.10107	11.5
159.08054	13.6
159.11696	31.1
161.09586	9.3
161.13258	2.6
162.10349	5.5
163.11206	19.4
165.09149	7.2
169.10083	7.9
170.10890	2.5
171.11691	7.6
172.08806	3.8
173.09572	6.3
173.13220	3.9
175.11102	4.3
177.09145	14.6
177.12752	20.2
181.12225	2.7
183.11729	3.5
185.09647	3.5
185.13286	3.3
187.11186	20.7
189.08997	2.4
189.12805	10.3
193.10182	2.3
195.11693	4.3
197.09807	2.9
197.13274	3.6
199.11101	3.9
201.12732	2.9
203.14407	3.1
205.12242	29.9
207.11821	2.3
207.13768	6.2
209.15305	3.4
213.12706	3.5
217.12282	4.6
221.13426	3.7
221.15402	9.7
225.12595	2.5
225.16527	2.9
229.12196	4.3
233.15387	6.1
246.16156	5.5
247.16951	2.8
252.58208	2.1
263.17874	2.6
277.13821	9.2
283.17041	3.1
285.18506	2.6
286.19394	15.0
309.18832	2.3
367.22641	10.9
385.18750	5.0
385.23688	100.0
385.27563	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	385.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	15.9
55.05511	43.1
56.96536	6.4
57.03429	16.4
59.71334	5.8
62.99547	4.9
66.38044	5.7
67.05506	78.4
68.05857	11.1
69.03420	15.2
69.07066	59.6
70.07366	5.6
71.00291	8.1
71.00621	8.5
71.08622	7.9
79.05497	54.6
81.03437	7.1
81.07049	100.0
83.04960	8.7
83.08622	27.0
85.06536	13.9
91.05481	43.3
93.07049	55.1
94.05927	5.1
95.04951	27.5
95.08610	53.2
97.06529	31.1
97.10161	20.7
99.08138	5.4
105.07028	62.8
107.04986	16.7
107.08600	44.0
109.06496	12.7
109.10141	42.6
111.08088	10.6
117.07013	13.3
117.22548	5.8
119.08556	41.3
120.08937	5.8
121.06502	10.7
121.10141	31.9
123.08103	16.2
125.09630	22.0
129.06966	6.8
131.00160	5.8
131.08614	29.0
133.10139	44.7
135.08026	16.2
135.11668	19.7
137.09622	11.1
143.08562	6.1
145.10139	27.7
146.10490	5.5
147.11665	22.7
149.02296	8.2
149.09612	20.2
149.13246	12.8
151.11224	13.4
153.01855	8.5
157.10098	6.3
159.11679	16.1
161.09613	7.1
161.13284	9.3
163.11162	19.8
169.10155	5.8
173.13275	13.3
175.11145	9.0
177.12700	9.2
183.11696	8.5
194.07201	6.0
229.19466	9.0
235.16986	6.1
257.19070	13.3
275.20102	87.1
276.20450	14.6
290.21918	7.5
293.21201	23.8
293.63361	9.3
303.12939	5.7
307.24597	15.5
317.06787	7.9
337.23599	5.8
349.23737	24.6
350.24069	7.2
367.24704	52.1
385.11954	5.5
385.18088	7.1
385.23343	13.2
385.27954	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	385.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.5
57.07073	0.5
66.69785	0.4
67.14859	0.3
69.88796	1.9
71.93155	0.4
85.02921	0.6
90.45375	0.4
93.07045	0.3
97.02879	0.4
107.04925	0.4
110.84951	0.4
120.08057	0.9
121.08455	0.9
127.03925	0.4
144.95454	0.4
155.05524	0.9
167.05542	1.0
167.06993	0.9
169.01350	0.5
171.05121	0.3
185.04184	3.0
185.06638	0.6
195.08740	0.7
197.10304	0.5
204.13936	0.5
205.14230	0.7
209.06609	0.4
215.11290	0.5
223.09430	100.0
224.09782	1.0
241.09236	5.3
259.10275	3.4
283.10364	0.5
305.18451	0.9
307.10107	0.5
323.19412	0.7
343.12537	0.4
353.12424	0.6
367.22412	0.4
385.14642	80.2
386.14938	0.8
409.02695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74712	0.3
54.27155	0.3
56.96564	0.4
57.07077	0.3
59.20959	0.3
59.83109	0.3
68.46095	0.3
69.03435	0.6
71.56308	0.3
72.66370	0.3
73.02855	0.3
75.45827	0.3
79.05492	0.8
81.03440	0.3
81.07063	0.7
85.02914	0.9
88.55196	0.3
91.05479	0.5
93.07035	0.4
95.04983	0.5
97.02899	0.7
97.06504	0.4
105.07013	0.6
107.04946	1.3
109.02876	0.4
119.08602	0.5
120.08099	0.5
131.40672	0.3
137.05989	1.0
145.10115	0.3
148.07559	0.3
155.05554	0.8
163.11186	0.9
167.05621	0.7
167.07060	3.2
170.07295	0.4
173.06633	0.7
185.04201	3.2
195.08627	0.6
197.10307	0.6
205.14114	0.5
215.11273	0.5
223.09428	100.0
224.09961	0.7
224.13248	0.4
231.10191	0.3
241.09235	6.9
259.10260	3.8
264.10864	0.4
267.06464	0.6
282.08893	0.7
293.11682	0.3
303.17816	0.4
305.18384	1.4
307.10126	0.4
321.18878	0.8
323.19388	1.6
343.11606	1.5
367.22061	0.4
385.14636	79.9
385.22989	2.1
386.15005	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2196
Annotation	His Thr Lys
Peak:m/z	Relative Intensity
52.88208	0.4
55.05507	0.5
55.29622	0.4
57.03441	0.5
61.02924	0.6
67.05500	0.5
68.45370	0.5
69.03423	1.1
69.07066	0.8
70.06578	0.8
73.02892	0.7
81.07044	1.8
84.08139	0.6
85.02907	2.9
86.09708	0.9
93.07079	0.9
94.72180	0.5
95.08582	0.6
97.02892	1.3
97.06520	0.7
98.97590	0.8
105.07069	0.9
107.08632	0.6
115.02469	0.4
119.10724	1.0
120.22187	0.5
121.10110	0.8
123.08053	0.9
125.09664	0.5
127.03905	0.8
129.04022	0.5
135.11682	0.6
137.06021	1.0
145.04900	0.6
157.07278	0.6
163.11209	1.1
167.07034	1.2
173.06590	0.6
201.05437	0.5
205.12289	1.9
207.12267	1.1
209.10315	0.7
215.13969	0.7
219.01990	0.6
223.13487	3.2
225.13382	1.8
226.21912	0.5
241.12920	1.1
243.14497	1.6
251.12674	1.1
262.32239	0.5
267.11591	0.5
269.12579	0.7
283.17480	0.7
287.13474	0.5
287.19171	0.5
295.17572	0.8
303.17987	1.1
321.19293	1.4
323.13995	0.8
323.22076	4.8
339.21414	6.0
367.20688	3.7
375.49359	0.5
385.21948	100.0
386.22244	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	15.3
57.07066	12.2
57.08125	12.5
62.06101	100.0
67.05508	36.0
69.07069	25.4
69.70776	64.5
76.96979	10.9
79.05519	12.8
80.12955	13.4
81.07048	32.2
90.33787	11.9
91.05495	17.4
93.70373	11.8
95.08591	22.8
98.20863	27.8
105.07034	21.9
107.08630	20.7
109.06544	14.1
109.10133	25.0
121.10207	18.1
133.10146	31.7
137.05974	17.2
137.20039	12.3
151.09233	11.7
151.11147	37.6
154.94006	13.9
291.19608	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	385.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45510	1.5
53.56135	1.6
55.05517	1.6
56.96567	12.8
57.75993	1.3
61.02935	1.8
69.03419	4.4
70.06583	5.4
71.55216	2.0
73.02901	1.7
79.54478	1.4
81.03395	3.0
84.96032	2.3
85.02890	9.4
85.26252	1.3
86.06074	1.5
87.04403	1.8
89.82047	1.4
91.05423	1.7
97.02886	5.4
98.97598	15.9
101.00890	4.9
109.02863	2.1
110.97578	7.9
112.11261	1.8
115.00658	2.0
116.98626	8.6
119.01932	10.3
123.04438	17.8
127.03871	2.3
128.98599	7.5
130.08618	3.3
131.01904	3.1
134.02750	1.8
136.06140	2.7
143.01939	3.0
145.01427	3.3
145.03461	6.9
146.99681	3.2
149.05917	3.0
152.98602	1.9
155.01912	3.8
156.03375	2.7
157.03450	1.6
158.99596	3.9
161.03015	5.6
163.02438	10.2
164.07079	1.7
167.00343	1.7
167.06998	2.8
170.99701	4.4
173.02983	5.0
174.04521	2.0
177.05547	2.9
181.03464	69.9
182.03552	2.0
185.01418	1.9
185.02971	4.9
186.04375	5.6
189.00670	4.4
189.05811	1.7
197.02899	4.1
199.04500	13.4
203.02248	1.8
203.03976	5.4
204.05463	3.7
205.03491	10.3
207.05011	5.5
210.99171	2.8
217.03496	4.6
219.01842	4.1
219.05023	4.1
221.05058	17.7
223.04503	16.0
224.13660	1.9
227.06850	1.7
228.05624	2.6
229.00262	11.9
229.03465	3.7
231.05112	1.9
235.04533	4.7
237.02837	4.6
237.06143	3.7
239.05826	1.8
241.03459	9.3
245.05101	11.7
247.04672	7.2
249.06119	3.2
253.03555	1.6
259.04547	20.4
263.05966	2.8
265.05502	4.1
271.01239	3.4
277.05521	4.2
281.13345	1.7
289.05634	1.5
295.06635	3.6
297.06577	1.6
304.02908	1.9
307.06644	100.0
308.06839	3.0
325.07504	6.8
326.02219	4.9
343.08844	31.1
344.03278	3.9
349.11685	1.7
367.08838	1.5
385.09723	12.3
385.18124	12.5
392.45224	1.7
403.05450	2.5
403.10062	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20966	15.8
55.05502	30.2
57.55841	16.8
60.05647	23.1
60.08158	19.3
61.69836	14.4
67.05489	54.9
69.07068	100.0
69.39252	16.9
70.13487	14.7
71.57294	25.1
79.05477	45.8
81.07050	67.9
91.05479	37.9
93.07032	46.1
93.77968	14.3
93.90471	15.5
95.08595	38.5
97.06510	24.7
105.07011	46.2
106.06688	15.7
107.08597	44.5
109.10127	16.7
114.32768	15.7
119.08585	29.0
130.31203	15.3
131.08533	18.4
133.10141	41.5
133.85527	18.8
147.11697	22.5
149.09656	21.1
169.39397	18.7
173.13301	18.2
187.11147	18.1
275.20047	77.9
292.75992	18.4
301.26187	17.0
313.71387	15.1
313.75558	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	384.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01206	6.3
52.38575	7.2
55.01848	8.7
55.05517	34.6
57.03436	8.2
65.53303	7.2
67.05507	71.6
68.26485	6.7
69.07078	71.0
69.33294	56.6
70.24969	6.4
72.04517	100.0
79.05495	50.1
81.03420	12.2
81.07060	84.7
83.04986	11.1
83.08617	14.8
83.12307	6.2
85.06534	19.0
91.05476	42.6
93.07050	55.7
95.04978	21.8
95.08615	57.9
97.06530	30.1
105.07040	65.2
107.04976	9.3
107.08606	36.2
109.06488	10.3
109.10161	23.0
111.08060	11.9
117.07041	14.7
117.51688	7.7
119.08585	50.3
121.10144	21.1
123.08074	14.8
125.09587	7.6
129.07019	8.1
130.07848	7.1
131.08551	24.3
133.10141	39.4
135.11679	19.0
135.15910	6.4
137.09627	12.7
145.10126	25.8
147.11711	23.1
149.09631	18.5
149.13258	16.0
151.11180	14.7
157.10167	10.9
159.11697	28.6
161.13298	14.7
163.11162	18.7
165.79268	6.7
166.08672	9.0
173.13266	25.9
177.12723	18.3
188.74147	7.6
189.12712	6.9
196.93890	7.0
197.13138	8.8
222.15004	16.9
227.16478	9.1
234.14932	38.0
252.06465	6.5
257.19009	16.6
272.12997	9.6
275.20059	78.3
279.94647	7.4
286.31070	7.3
289.21667	25.8
300.87097	7.8
307.22693	12.6
328.19125	10.7
337.36664	7.4
339.04105	7.7
384.42212	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	384.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	76.3
56.96556	29.7
57.07088	21.9
58.06603	41.0
59.04992	20.3
60.04519	40.1
60.05657	28.4
66.94665	17.1
67.05502	90.3
68.05004	27.2
69.07062	59.5
70.68148	37.3
70.68542	40.4
71.05007	21.7
79.05492	57.3
81.03449	24.5
81.07072	100.0
83.04960	37.1
83.08607	26.9
85.90533	17.5
91.05482	68.1
93.07060	85.9
94.75339	18.7
95.08614	56.3
97.06520	43.3
97.10192	20.7
99.52596	18.4
102.20593	18.2
105.07027	80.4
107.04943	32.2
107.08598	61.1
109.06527	20.0
109.10168	56.5
116.09154	18.1
119.08587	73.8
121.10161	22.5
131.08565	34.5
132.66275	21.2
133.10104	54.5
135.08090	23.4
135.11687	31.5
145.10139	23.2
147.11717	30.1
147.22444	20.4
149.02341	19.2
157.10109	29.1
161.13275	20.0
163.11201	46.3
173.13275	20.2
180.15335	20.3
180.74989	16.8
184.07320	34.3
221.02100	17.4
238.73914	24.4
275.20071	50.4
289.17981	96.5
289.21408	25.1
300.59290	19.0
306.24298	28.3
334.23575	25.5
340.46475	20.6
342.61823	20.5
352.24768	22.3
366.26205	29.9
384.22504	86.3
384.27313	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	9.2
55.05507	15.4
56.96560	5.9
57.03437	8.3
58.06601	6.6
60.04526	21.1
67.05513	31.9
69.07098	17.9
69.92031	19.3
71.08646	8.1
79.05505	23.7
81.03416	4.9
81.07063	27.1
83.04973	10.0
83.08602	7.7
85.06544	7.0
86.09686	5.2
91.05481	24.1
93.07040	24.9
94.24198	3.7
95.04988	22.5
95.08597	21.6
97.06524	7.3
100.11269	15.7
105.07036	16.6
107.04941	18.0
107.08616	17.5
109.06522	12.0
109.10175	14.6
111.04469	4.5
111.08037	3.7
112.68930	3.5
117.07013	6.0
119.08582	20.5
121.06497	8.8
121.10175	8.3
123.04443	6.1
123.08036	8.3
125.09639	7.9
129.07014	7.9
131.08528	11.7
133.06464	7.2
133.10170	10.9
135.08066	12.2
137.09682	4.7
138.12808	6.5
139.11252	4.5
145.10132	12.6
147.08080	10.8
149.09621	8.4
149.13245	4.3
150.12860	3.7
151.07596	4.0
151.11159	8.1
154.12282	6.4
156.13789	6.9
159.11716	7.1
161.09697	5.3
161.18550	3.5
163.11284	6.2
177.12840	6.6
192.13872	6.5
205.15865	5.3
231.62367	3.5
233.15344	13.9
265.17975	12.6
273.18585	4.8
275.20081	12.2
289.21603	5.7
290.18945	5.6
292.22519	4.5
293.21237	6.6
304.20245	6.6
305.21085	15.4
306.24423	8.4
307.22708	14.2
324.25443	5.0
339.21701	17.2
350.72974	4.0
352.24783	6.8
360.42020	3.9
366.26501	8.4
384.27414	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
53.92469	2.7
55.01859	8.1
55.05268	3.4
55.05511	51.0
56.05031	3.5
57.03413	6.4
58.06601	62.3
58.37429	2.2
60.04505	10.8
62.06070	3.9
65.03928	2.7
66.95490	2.2
67.05175	3.6
67.05505	47.4
69.03423	4.7
69.07069	77.9
70.16743	9.9
71.04993	3.8
72.04498	3.7
79.05072	3.5
79.05494	46.8
80.05018	13.6
81.05762	2.3
81.06589	3.4
81.07056	52.3
82.06573	2.9
83.04971	6.8
83.08221	2.6
83.08624	31.7
85.06497	3.7
86.09694	4.2
91.05485	35.3
93.07047	34.6
93.07578	4.8
94.06573	15.8
95.04947	7.2
95.07347	2.2
95.08603	26.0
96.08131	4.7
97.02848	2.5
97.06525	16.3
97.10168	53.6
98.21481	3.6
99.08059	3.5
100.07625	21.2
105.04565	2.7
105.07031	43.7
107.04946	6.8
107.08591	57.8
108.08110	6.6
109.06491	6.2
109.10149	20.3
111.08036	3.7
114.09169	35.9
117.07029	11.5
119.08569	33.3
121.06501	2.8
121.10158	20.4
123.08074	5.5
125.08764	4.2
125.09637	62.1
129.06975	3.5
131.08598	14.9
132.10213	75.0
133.10123	29.0
135.08046	27.5
135.11635	11.0
137.05927	3.5
137.09639	4.3
143.08545	4.6
145.10120	14.5
147.11673	14.7
149.09596	10.1
149.13245	3.0
151.11218	3.6
153.01807	13.5
153.09088	11.2
157.12213	8.3
159.11746	12.5
161.13188	6.7
163.11223	5.8
163.14742	2.7
171.11685	3.5
173.13268	8.1
177.12654	3.8
179.14211	2.7
183.11687	3.0
201.16273	2.5
203.12790	66.8
204.13853	6.2
215.18004	2.8
229.19412	3.5
236.16432	13.9
239.17877	9.8
247.20566	7.5
257.04465	5.1
257.19025	17.2
258.04843	7.4
264.23135	2.8
274.21652	6.7
275.20056	100.0
287.05353	10.0
288.05862	16.9
289.21609	49.2
290.37411	2.2
292.19836	3.0
292.22656	12.0
293.05472	2.5
306.24271	92.9
307.22610	10.2
311.05481	3.1
312.05859	5.2
324.25388	5.2
334.23764	5.2
352.24863	7.0
366.26443	47.8
384.11554	55.8
384.27576	22.4
392.05762	2.3
393.05228	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	384.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45529	3.2
53.03934	6.3
55.01867	7.1
55.05511	45.5
56.05039	4.8
57.03450	7.2
57.07068	3.5
58.06597	6.1
60.04528	55.1
65.03945	3.2
67.05176	5.4
67.05504	56.8
68.05030	46.9
69.03418	13.2
69.07069	64.7
70.36614	10.9
72.04510	12.2
73.06535	3.9
74.06059	5.0
79.05494	47.7
80.05020	10.5
81.03406	8.7
81.07050	58.2
83.04986	8.7
83.08626	23.1
85.06514	5.8
86.06065	6.8
88.07642	11.5
91.05483	46.0
93.07059	41.6
94.06574	10.6
95.04951	9.4
95.08612	45.6
96.08116	4.2
97.06540	21.4
97.10169	33.7
105.07026	43.5
107.08595	48.3
109.06487	6.0
109.10149	25.3
110.06030	13.3
110.09695	5.4
111.08062	7.6
114.05591	6.2
114.09173	16.8
117.07027	10.9
119.08578	81.0
121.10184	22.0
123.08048	6.4
125.09635	39.0
131.08553	15.8
132.10234	18.7
133.10123	39.2
135.08049	25.0
135.11665	11.1
137.06068	4.3
137.09598	8.0
143.08586	5.5
145.10127	26.7
147.11690	18.7
149.09633	10.2
149.13210	6.2
153.01811	47.9
153.09099	3.8
154.02090	4.1
157.10187	7.3
159.11742	19.5
161.13239	8.0
163.03940	5.8
163.11176	7.0
169.10083	7.4
171.02916	7.3
171.11620	5.5
173.13266	11.6
177.12733	8.5
179.03444	4.1
183.11678	4.3
184.13306	10.3
187.11249	5.6
193.12201	6.4
203.12784	32.3
225.14984	5.7
230.17546	11.4
236.16499	5.4
239.17978	15.4
244.09734	4.8
247.20570	7.8
257.19012	28.6
274.21677	7.3
275.20071	100.0
280.22751	10.8
289.21643	32.5
291.19778	4.2
292.19791	14.9
292.22769	14.8
306.24225	58.5
307.22641	6.3
311.05286	4.2
312.05914	11.0
324.25443	7.0
334.23715	32.1
340.08957	9.8
348.25528	4.7
352.24796	29.1
366.26648	42.0
384.11569	45.8
384.27701	41.2
385.12564	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	383.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.6
55.01868	3.4
55.05502	11.6
57.07077	14.3
59.04987	6.2
62.75627	2.8
63.69725	2.6
67.05504	24.7
69.03422	12.9
69.07071	5.4
69.21510	27.6
69.36476	2.4
71.04996	5.1
74.78756	2.2
79.05495	24.8
81.07059	28.4
83.04953	4.0
83.08585	3.2
85.06552	6.8
85.37520	2.7
86.35081	3.1
91.04982	3.2
91.05489	44.6
93.07047	75.1
94.42699	2.7
95.04969	24.3
95.08614	37.6
97.06520	14.5
97.10152	2.6
98.21510	6.9
105.07039	71.0
107.08603	40.8
109.06502	22.9
109.10163	23.7
111.08086	9.1
115.05446	3.9
117.07029	10.3
119.08578	48.4
120.09392	5.1
121.02948	2.6
121.06496	14.7
121.10156	42.8
123.08062	25.2
128.06253	6.2
129.06992	11.0
130.07796	3.8
131.08591	27.5
133.06482	8.3
133.10138	28.5
135.08052	21.9
135.11667	4.5
137.06001	4.7
137.09631	8.9
142.07803	16.7
143.08546	23.4
144.09395	4.4
145.10109	32.1
147.08028	24.4
147.11699	15.1
148.08806	5.2
149.09621	34.8
150.10419	3.7
151.07536	29.6
153.09119	4.8
155.08568	6.8
156.09296	5.8
157.10129	38.4
159.08064	8.6
159.11700	15.0
161.09666	20.7
161.13295	7.8
163.11180	7.8
165.06992	3.3
165.09119	35.8
169.10141	10.5
170.10945	7.5
171.11720	9.4
173.09627	10.3
173.11914	2.8
173.13255	11.3
175.11232	21.5
175.14844	5.2
177.09129	18.6
177.12688	2.8
178.09868	3.9
179.08331	2.8
179.14297	2.7
181.10075	4.2
183.11656	9.4
184.12494	4.1
185.09645	4.7
185.13152	15.8
187.11168	3.7
187.14784	3.9
189.12746	10.0
194.10858	4.4
197.13239	8.3
199.11212	4.3
199.14854	2.8
201.12833	10.8
203.14301	29.6
207.11865	3.4
207.13878	10.8
209.13388	5.6
209.15385	8.8
211.11055	2.9
213.12746	6.2
215.10924	2.8
215.14342	7.7
217.12381	3.2
219.13858	9.0
221.13306	3.4
221.15355	75.6
223.14813	3.5
225.12761	3.2
225.16280	2.7
227.14326	9.4
231.13722	4.6
233.15392	5.2
234.16129	16.9
239.14276	3.3
274.19418	3.3
281.19128	4.1
286.19189	4.6
287.20053	6.0
298.67523	2.8
299.20099	5.3
303.19577	7.7
309.18576	3.6
347.23682	3.2
365.24960	13.0
372.23846	3.0
383.11609	3.2
383.25793	100.0
385.05545	2.7
397.00986	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	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03939	6.7
55.05519	15.2
55.34409	2.9
57.07060	10.3
58.22110	2.7
59.05005	4.8
64.76185	3.1
67.05503	34.0
69.03442	15.4
69.07061	8.5
71.04990	6.5
71.26332	4.3
79.05500	31.6
81.07059	30.8
81.46655	2.6
83.04987	7.4
83.08602	10.0
85.06541	5.3
91.05481	41.3
93.07049	87.6
95.04968	34.1
95.08615	44.8
97.06523	16.2
103.05431	6.5
105.07040	77.8
107.08588	43.7
109.06541	18.8
109.10175	19.1
111.08077	6.6
117.07034	15.9
119.08591	60.2
121.06523	13.5
121.10140	46.5
123.08067	25.8
125.09653	6.8
128.06204	7.5
129.07007	11.8
130.07811	5.3
131.08572	29.3
133.06459	8.0
133.10138	34.1
135.08040	23.8
135.11749	6.7
135.33955	3.0
137.09602	9.3
142.07791	24.2
143.08582	26.8
144.09308	8.9
145.10133	49.0
147.08041	22.2
147.11696	16.4
148.08873	4.4
149.09622	29.1
151.07535	39.8
153.09114	4.6
155.08583	9.5
156.09366	9.7
157.10120	43.2
157.48039	3.0
159.08038	10.1
159.11668	17.3
160.08873	4.1
161.09644	18.4
161.13281	7.1
163.11177	9.0
165.07028	3.5
165.09128	28.2
167.08733	3.7
169.10150	5.8
170.10968	6.0
171.11700	12.6
173.09650	12.2
173.13266	10.4
175.11186	21.8
175.14848	7.9
177.09106	11.0
180.09267	2.9
181.10130	6.4
182.10899	6.0
183.11699	9.2
185.13313	18.9
186.26483	3.1
187.11089	4.8
187.14854	5.8
189.12703	10.0
191.14304	4.1
194.11049	4.2
195.11684	4.4
197.13295	9.9
199.14798	6.9
201.12724	8.6
203.14316	30.6
207.12083	3.3
207.13786	15.5
209.13335	8.3
209.15242	5.7
211.14864	5.1
213.12773	3.6
215.14273	16.7
219.13718	6.3
221.13525	2.3
221.15369	67.4
223.14909	3.8
227.14313	9.0
231.14005	3.8
233.15411	4.7
234.16185	16.3
237.14700	4.9
287.19998	11.4
299.20169	5.5
303.19360	8.0
365.24771	18.7
383.25812	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	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03942	3.4
54.18292	2.3
55.01865	3.1
55.05502	10.7
56.87492	2.2
57.07063	8.7
59.05001	6.9
67.05508	17.9
67.52747	2.0
69.03417	11.0
69.07058	8.7
69.36294	17.2
69.36705	4.0
71.04986	5.4
76.30616	2.2
77.03914	2.6
79.05147	2.1
79.05507	22.8
81.07059	27.4
83.04962	6.0
83.08617	5.9
85.06540	5.5
91.05478	39.1
93.06477	4.6
93.07042	77.2
94.95196	2.6
95.04964	21.4
95.08611	29.7
96.96735	2.3
97.06535	11.8
105.07040	65.4
107.04984	3.0
107.08598	40.8
109.06512	21.5
109.10139	14.1
111.08082	8.1
117.07011	11.0
119.08585	43.0
120.09425	3.5
121.06533	12.4
121.10154	41.4
123.08058	25.7
125.09665	2.9
128.06218	6.1
129.07001	10.3
130.07747	4.5
131.08588	24.0
133.06493	9.6
133.10130	24.6
135.08070	16.8
135.11696	8.0
137.09641	10.0
141.06972	4.4
142.07771	16.1
143.08585	25.3
144.09300	4.2
145.10127	29.4
146.07236	2.7
147.08057	25.6
147.11713	15.2
148.08861	4.3
149.09622	19.7
151.07555	34.0
155.08575	5.3
156.09357	9.6
157.10124	29.7
159.08080	9.6
159.11690	16.5
160.65092	2.4
161.09634	18.5
161.13222	7.6
163.11136	8.7
165.09119	31.0
167.10674	3.0
168.67885	2.5
169.10118	8.3
170.10895	4.1
171.08047	3.7
171.11678	6.6
173.09613	9.6
173.13277	7.5
175.11197	21.9
175.14842	7.5
177.09123	10.9
177.12808	2.8
179.08635	3.3
180.26222	2.3
181.10223	3.5
182.10918	2.8
183.11674	5.8
185.09621	2.8
185.13249	20.2
187.11203	7.0
187.14943	4.0
189.12737	6.7
191.14291	4.5
195.11711	3.6
197.13298	7.6
199.11101	3.0
199.14972	2.8
201.12749	6.2
203.14310	29.8
207.11996	3.5
207.13766	15.0
209.13353	5.3
209.15350	6.1
211.14722	4.1
213.12746	5.2
213.82556	2.4
215.14323	10.1
219.13820	5.4
221.15363	74.1
223.14763	3.5
225.16388	3.4
227.14268	4.7
233.15497	7.0
234.16188	10.9
243.13832	3.0
286.19257	6.2
287.20020	12.3
299.20105	5.0
303.19550	9.8
309.18555	2.9
327.19574	2.8
347.23489	3.0
365.24759	13.6
383.25803	100.0
384.26678	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	383.2428
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
50.69366	1.6
53.03946	2.4
55.01870	5.1
55.05515	23.3
57.03426	7.1
59.05003	2.7
60.04533	2.3
61.02954	1.6
61.83221	1.6
67.05171	3.0
67.05508	42.2
69.03436	7.2
69.07067	21.6
70.14833	6.3
71.04977	4.5
79.05493	27.5
81.03417	5.0
81.07059	32.0
83.04993	3.1
83.08607	9.1
85.02911	2.1
85.06545	3.1
91.05489	19.6
93.07040	24.1
95.04996	10.2
95.08592	13.4
97.02892	5.8
97.06508	6.1
97.10175	13.9
98.20819	1.9
105.07050	14.7
107.04967	7.8
107.08586	15.6
109.06520	6.3
109.10164	22.1
111.08070	4.3
117.07035	8.1
117.07790	1.6
119.08569	13.5
121.06541	4.2
121.10162	7.6
123.08068	6.3
123.11687	2.2
125.09623	8.6
128.06145	2.1
129.07028	3.1
131.08592	8.2
133.06516	4.3
133.10133	14.1
135.08038	6.2
135.11716	2.1
137.09607	2.3
142.07808	2.2
143.08557	6.9
145.10132	6.8
147.08051	8.4
147.11664	4.3
149.09631	5.1
153.09094	3.1
157.10159	5.7
159.08064	3.0
159.11700	2.9
161.09671	4.4
161.45462	2.3
165.09195	2.7
171.11801	2.0
173.11742	6.4
175.11232	3.5
177.09148	1.9
185.13225	2.3
189.11229	4.9
191.10693	2.2
193.12244	2.7
223.13206	14.1
227.12775	3.8
245.13737	2.0
245.18968	3.8
255.17332	2.4
257.04443	8.0
258.05331	2.5
273.18506	11.9
286.04684	3.5
287.05435	8.9
291.19553	100.0
347.22177	2.6
365.23227	55.3
383.11307	26.1
383.24188	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	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11705	2.7
53.03946	4.6
55.01868	10.6
55.05516	23.8
57.03430	11.2
65.03928	4.3
67.05179	4.9
67.05510	68.7
67.54586	2.6
67.63918	2.7
69.07072	21.2
71.05002	7.1
71.56750	6.2
79.05497	47.7
81.03421	6.8
81.07063	67.5
82.59907	3.2
83.04977	12.0
83.08612	9.7
85.06557	4.0
87.45817	3.0
90.02664	3.1
91.05484	47.5
93.07048	46.9
94.07816	3.0
95.04977	16.2
95.08618	28.8
97.06539	10.1
97.10163	5.6
97.96838	2.6
99.08104	5.0
105.07034	46.7
107.04966	13.8
107.08597	38.7
109.06519	13.5
109.10157	43.3
111.04441	3.3
111.08060	9.1
115.05472	3.3
117.07020	12.3
119.08571	24.4
121.06493	10.0
121.10141	14.9
123.08068	4.5
123.11726	9.5
125.06168	3.5
129.07024	8.9
131.08580	17.2
133.06480	10.1
133.10138	51.1
135.08057	14.0
135.11691	12.1
136.25427	3.2
137.09651	5.1
139.07527	6.4
143.08577	9.8
145.10118	11.9
147.08063	9.8
147.11722	7.0
149.09648	16.0
149.13271	4.5
151.11165	24.5
157.10178	8.3
159.08028	3.3
159.11678	9.1
161.09612	12.7
161.13153	4.3
163.11172	5.1
165.09135	3.2
165.12708	3.9
169.12251	4.6
171.11752	6.6
173.09515	3.5
173.11763	4.9
175.11203	4.4
177.09076	7.0
179.10756	3.9
185.13248	4.1
187.11234	3.7
189.12697	4.4
200.38840	3.6
215.12785	5.8
217.12277	3.0
229.38028	3.0
243.09193	4.4
245.19044	11.8
251.12912	4.1
253.14357	30.1
257.04477	34.9
258.05142	7.4
263.20081	15.1
269.13898	6.9
271.15445	19.8
273.18546	47.0
285.17014	3.8
286.04749	12.2
287.05499	23.7
291.19562	62.5
291.22467	2.2
309.20599	5.3
347.22153	6.5
350.09320	3.5
352.64764	3.6
365.23303	65.3
383.11230	100.0
383.20728	13.1
383.24545	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	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03209	4.0
52.00703	4.8
53.03948	12.1
55.01869	12.2
55.05511	38.1
56.96536	4.5
57.03430	15.1
67.05507	94.1
69.03425	8.2
69.07069	34.3
70.80713	12.3
71.05001	10.3
79.05498	61.4
81.03417	12.0
81.07058	100.0
83.04992	18.4
83.08618	16.3
85.02911	8.3
85.06572	10.4
91.03945	4.6
91.04961	8.2
91.05482	78.9
93.07048	68.6
95.04975	16.8
95.08614	39.5
97.02915	7.5
97.06526	12.9
105.07040	65.1
107.04955	14.2
107.08595	47.1
109.06529	18.7
109.10162	63.1
111.04487	6.5
111.08103	9.4
117.07025	17.9
119.08581	27.7
121.06506	13.9
121.10139	21.9
123.04461	7.3
123.08045	7.0
123.11704	6.7
127.07594	6.2
129.07025	14.5
131.08572	33.6
133.06505	14.6
133.10135	76.1
135.08031	21.9
135.11685	13.0
139.07544	8.3
143.08592	14.0
145.10132	18.6
147.08055	15.7
147.11682	14.6
149.09602	19.1
151.11163	35.1
157.10127	12.6
159.08032	8.8
159.11674	5.6
161.09610	20.2
161.13274	8.3
163.11189	9.2
165.09160	6.8
169.12280	8.1
171.11705	11.3
173.13235	4.8
175.11224	11.0
177.09132	10.1
185.13261	5.0
189.12767	7.6
203.14436	5.6
207.13771	5.1
215.12643	5.8
216.09232	5.6
230.13251	5.0
245.19005	29.4
253.14378	27.1
255.17618	5.5
257.04446	25.5
263.20074	15.0
269.13806	5.6
271.15393	28.1
271.17975	7.2
273.18463	70.3
286.04660	10.2
287.05530	25.0
291.19592	75.1
309.20557	8.1
365.23267	97.3
383.11255	81.9
383.20078	7.9
383.24500	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	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
55.01860	6.7
55.05516	10.1
57.03441	46.2
65.03941	3.1
67.05173	3.6
67.05505	43.6
68.52486	1.8
69.03430	2.0
69.07069	6.9
69.73711	1.9
69.74339	10.6
71.04998	5.3
75.40481	1.8
79.05499	30.4
81.07060	27.1
83.04965	1.9
83.08631	2.1
85.06551	34.8
91.05473	25.8
93.07054	22.3
94.20463	1.6
95.04975	66.3
95.08624	13.9
95.09142	2.4
97.06541	5.3
98.21574	2.4
98.97585	2.6
102.54566	1.7
105.07033	19.1
107.04967	10.3
107.08579	20.3
109.06519	68.4
109.10161	5.1
111.08092	2.7
113.06007	100.0
115.05462	2.3
117.07015	9.0
119.04935	1.8
119.08566	10.4
121.06527	7.7
121.10165	6.4
123.08096	1.8
129.07011	6.0
131.08589	20.1
133.06511	2.5
133.10156	7.4
135.08055	53.1
135.11705	7.1
137.05931	2.5
143.08571	8.3
145.06512	2.2
145.10123	9.5
147.08064	6.1
147.11650	2.9
149.09653	6.8
149.13303	2.1
153.01860	8.7
157.10149	7.0
159.08075	3.8
159.11600	4.2
161.09657	10.6
163.11238	3.7
171.11653	3.1
175.11143	2.2
177.12791	4.4
185.13283	2.5
187.07582	3.5
187.11229	2.4
195.13849	2.6
199.14864	5.7
201.12752	2.5
207.61938	1.9
217.15884	18.1
227.17961	2.2
231.13959	2.0
245.19005	3.2
255.17615	6.2
257.04614	10.6
258.05298	6.3
273.18478	44.4
273.21271	3.3
286.04800	5.9
287.05478	14.0
291.19550	92.1
302.13708	7.1
310.04758	2.6
311.05472	13.8
339.08606	17.8
347.22324	10.2
365.23288	24.1
383.11331	63.1
383.16254	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	383.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94836	2.3
53.03952	5.6
53.18893	2.3
55.01879	13.1
55.05513	42.9
56.96572	2.4
57.03440	18.4
60.09345	2.5
61.02926	4.6
62.29440	2.2
65.03936	3.7
67.05503	79.7
69.03430	8.9
69.07068	35.4
71.04987	6.7
73.02921	2.9
79.05493	40.6
81.03413	10.8
81.07058	59.8
83.04985	9.1
83.08607	20.7
85.02911	9.0
85.06569	5.1
91.05474	38.1
93.07047	39.8
95.04974	16.8
95.08611	24.6
97.02890	9.3
97.06541	13.4
97.10175	24.0
98.97581	4.6
99.04453	3.9
105.07037	25.5
107.04951	14.0
107.08591	34.8
109.06525	8.4
109.10155	50.0
111.04445	7.6
111.08075	5.3
116.06226	2.8
117.07004	14.3
119.04916	3.2
119.08581	26.6
121.06487	8.3
121.10146	22.7
123.08067	15.4
123.11683	3.3
125.09628	21.3
129.06999	6.5
131.00200	5.3
131.08578	17.8
133.06531	7.2
133.10135	29.4
135.08035	14.0
135.11710	6.9
137.05962	4.3
137.09610	5.3
143.08565	10.0
145.10123	11.6
147.08051	10.8
147.11658	8.6
147.55428	2.8
149.01175	3.5
149.09625	8.7
151.07536	3.0
151.11177	10.3
153.01851	4.1
157.10118	7.8
159.08035	3.5
159.11707	6.5
161.09639	7.9
163.11273	3.1
165.09163	4.9
169.12270	3.5
171.10213	4.4
171.11713	6.5
173.11769	4.9
173.13213	2.6
175.11188	11.2
177.09131	6.7
178.35452	2.4
181.12300	4.1
189.11240	13.1
189.12801	3.7
193.12215	7.7
201.73354	2.5
205.12148	3.6
211.13217	4.9
223.13281	10.6
227.10785	2.4
227.12790	8.5
233.15459	3.5
237.08849	4.0
244.09587	13.0
245.19107	9.4
249.14958	3.9
251.12686	2.4
252.09366	6.8
253.14157	4.1
257.02048	2.3
257.04382	11.7
258.05280	3.7
263.20200	5.6
269.13629	3.2
273.18530	35.2
277.10052	2.6
286.04706	6.8
287.05444	12.9
291.19562	100.0
293.13278	8.5
309.20807	4.2
311.05484	5.2
339.08533	5.8
347.22064	4.2
365.23190	79.0
383.11273	48.6
383.24060	26.2
383.27847	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	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.0
55.01881	4.9
55.05522	4.4
56.96561	1.9
57.03440	16.0
65.03940	1.9
67.05507	18.5
69.03397	1.3
69.07069	4.2
70.50314	3.2
71.04985	2.1
73.02926	1.2
74.05517	0.9
79.05497	10.7
81.03418	1.4
81.07058	13.4
83.04991	1.4
83.08624	2.5
85.02889	1.2
85.06554	9.6
91.05489	10.1
93.07037	8.3
95.04975	20.1
95.08601	4.9
97.02922	1.4
97.06551	4.2
97.10138	0.9
98.97603	4.4
105.07023	6.5
105.32099	0.9
107.04950	2.9
107.08598	8.0
109.06515	22.6
109.10154	3.5
112.99112	2.0
113.06011	32.2
117.07018	4.4
119.08603	3.6
121.06504	2.1
121.10126	1.5
128.06207	0.9
129.07001	2.6
131.00200	2.5
131.08543	6.7
133.10144	2.5
135.08066	17.9
135.11697	2.1
135.18593	0.9
137.05960	1.8
143.08549	3.0
145.10144	2.7
147.08067	2.3
149.01234	3.1
149.09589	2.0
149.13261	1.1
153.01834	5.1
157.10182	2.6
159.08084	1.2
159.11728	1.1
161.09642	2.8
163.11110	1.6
171.11726	1.7
173.13300	1.5
173.53926	0.8
177.00706	1.2
199.14897	1.1
203.03488	1.5
217.15849	6.7
219.01770	0.9
229.05017	3.0
229.07358	0.9
237.16399	0.9
245.19058	1.4
255.17461	1.6
257.04462	31.1
258.05191	8.7
273.18509	13.6
273.21265	1.3
284.12833	1.2
286.04800	9.1
287.05542	18.0
291.19540	28.3
293.13330	4.9
302.13797	7.3
302.64029	3.3
305.10791	1.3
311.05530	2.7
347.22345	2.8
353.66309	0.9
355.71463	1.0
365.15729	1.0
365.23349	8.8
374.15979	1.6
383.11304	100.0
383.16183	8.5
383.23727	3.0
383.66660	2.6
384.11548	2.8
384.21661	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2426
Annotation	Deniagenin
Peak:m/z	Relative Intensity
51.87132	2.8
53.03959	8.4
55.01865	14.7
55.05510	23.1
56.96541	4.0
57.03425	13.8
57.07082	3.9
63.81734	3.0
66.07980	3.1
67.05507	61.2
69.03419	9.0
69.07057	20.3
70.80853	7.0
70.81196	3.8
71.04990	6.7
79.05495	52.4
81.03407	12.6
81.06590	4.2
81.07063	82.3
83.01328	5.1
83.04983	16.4
83.08615	11.5
83.17754	2.9
85.06544	8.7
91.05488	62.4
93.07047	48.6
95.04964	15.6
95.08611	32.7
97.06528	8.6
97.10147	5.8
99.08073	3.9
100.70380	3.0
103.42392	3.4
105.07027	55.9
107.04951	14.5
107.08601	42.5
109.06524	12.4
109.10162	49.1
111.04441	4.3
111.08076	11.3
117.07020	12.1
119.08587	20.1
121.06500	9.7
121.10137	21.8
123.08061	8.9
123.11694	7.2
125.09612	6.8
129.07007	12.6
131.08557	19.8
133.06509	18.8
133.10133	56.1
135.08061	18.9
135.11688	7.2
137.05952	5.4
137.09593	7.1
139.07501	4.1
142.07825	4.9
143.08586	7.8
145.10133	12.8
147.08054	9.6
147.11697	9.3
149.09613	22.8
151.11182	28.7
153.09099	3.3
157.10127	9.6
159.08020	4.3
161.09605	9.5
161.13326	6.5
162.18219	3.2
163.11269	3.6
169.12225	4.8
171.11681	9.0
175.11203	10.0
176.40785	3.1
177.09120	9.6
177.12691	4.1
179.10674	6.0
189.12730	4.4
189.39929	3.0
193.12239	5.9
223.13295	4.6
227.17770	5.0
245.19046	12.2
251.12888	6.4
253.14371	22.9
255.17400	7.5
257.04361	8.6
258.05127	3.6
263.20038	9.3
265.90320	3.4
269.13840	11.1
271.15350	9.6
273.18509	60.3
285.17020	6.5
286.04788	5.0
287.05466	5.4
291.19531	61.2
309.20612	8.7
347.22147	11.3
365.23233	100.0
383.11160	28.2
383.24179	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	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.0
55.01857	13.6
55.05517	29.2
57.03420	16.5
67.05185	4.5
67.05510	76.2
69.03419	6.5
69.07069	31.6
69.26254	34.9
71.04974	9.0
79.05495	64.6
79.24869	3.9
80.21150	3.4
81.03408	11.0
81.07063	83.8
83.04984	18.1
83.08600	8.6
89.89831	3.5
91.04962	6.4
91.05478	70.3
93.07045	58.3
95.04955	20.8
95.08595	31.1
97.06530	5.8
97.10181	4.4
98.20755	6.0
105.07034	63.3
107.04946	14.5
107.08607	48.8
109.06538	11.1
109.10154	51.3
111.04469	7.1
111.08082	7.3
113.05919	4.8
117.07001	14.5
119.08603	26.0
121.06488	20.3
121.10136	17.0
123.08054	13.3
123.11694	8.9
129.06992	5.3
131.08575	25.7
133.06488	15.2
133.10133	74.2
135.08081	15.6
135.11702	12.7
137.06050	4.3
137.09570	7.0
139.07507	9.3
141.06909	4.2
143.08545	9.2
145.10085	12.3
147.08047	14.6
147.11691	7.5
149.09650	18.2
151.11189	37.1
153.19234	3.9
157.10139	7.3
159.08090	5.3
159.11699	6.8
161.09627	16.6
161.13293	5.0
169.12201	8.7
171.11684	7.9
175.11176	11.7
177.09081	8.6
181.10205	4.7
185.13370	6.2
189.12692	5.1
215.12625	8.3
238.33844	3.7
245.19124	26.0
251.12648	4.0
253.14377	30.3
255.17528	6.8
257.04532	8.5
259.83359	3.7
263.20105	16.9
269.13818	8.9
271.15335	29.2
273.18527	68.7
291.19565	76.8
309.20343	8.5
324.16824	4.8
347.22241	6.6
365.23236	100.0
383.11163	21.5
383.24466	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	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
54.34480	1.6
55.01858	6.9
55.05517	25.5
56.96548	1.9
57.03441	10.3
59.04998	2.2
61.02919	2.9
61.94576	1.4
64.21964	1.5
65.03930	3.1
66.57838	1.4
67.05508	43.8
69.03416	7.0
69.06724	2.1
69.07070	22.9
69.28970	14.5
71.04977	4.3
73.02872	1.9
79.05492	26.0
81.03397	5.2
81.06601	2.0
81.07062	36.5
83.04966	5.6
83.08607	14.8
85.02889	3.3
85.06561	7.7
88.34228	1.6
91.03918	2.0
91.05491	23.9
93.07048	25.7
95.04470	1.6
95.04985	19.3
95.08606	17.4
97.02860	5.9
97.06521	7.1
97.10178	18.9
98.20884	6.0
103.40169	1.5
105.07026	18.0
107.04939	7.4
107.08607	18.2
109.06521	13.0
109.10172	19.3
111.04427	2.1
111.08089	2.3
113.06010	14.6
117.06999	11.2
119.04946	2.2
119.08587	16.3
121.06492	5.3
121.10139	11.6
123.08078	8.4
123.11691	3.9
125.09641	14.8
127.08492	1.5
129.06992	5.4
131.00175	1.8
131.08568	10.6
133.06502	4.1
133.10149	12.7
135.08063	15.3
135.11670	3.5
137.09621	4.0
143.08546	5.0
145.10123	10.2
147.08032	6.8
147.11665	4.8
149.09612	6.5
151.11176	5.2
153.01828	2.6
153.09123	2.2
155.10699	2.5
157.10114	5.6
159.11778	3.7
161.09598	7.3
163.11172	4.8
165.09125	4.6
169.10246	2.0
169.12228	1.8
171.10164	1.8
171.11638	3.0
173.11888	2.1
175.11163	3.8
177.09201	1.9
181.12138	2.9
185.04349	1.7
189.11288	9.7
189.12775	3.0
193.12260	4.2
199.14796	2.4
205.12277	2.3
216.09151	2.0
216.59279	2.7
217.15872	3.8
223.13278	7.2
227.12785	7.7
229.12657	1.7
233.15387	1.9
241.89818	2.1
245.13849	3.4
245.19072	2.4
249.14909	4.5
253.14413	2.2
255.17368	5.4
257.04434	6.6
258.05115	1.9
263.20029	2.2
271.15253	3.0
273.18503	31.7
285.17093	1.8
286.04749	2.0
287.05380	3.8
291.19559	100.0
292.12326	1.5
347.21942	5.1
365.23264	61.6
383.11148	19.8
383.24393	12.2
384.11496	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.8
55.01864	13.0
55.05508	44.8
57.03421	18.6
67.05505	88.1
69.03425	10.4
69.07065	33.6
71.04959	8.3
79.05496	65.5
81.03392	14.2
81.07059	80.1
83.04959	18.4
83.08615	22.3
85.06559	9.2
91.05482	61.0
93.07044	66.4
94.83390	4.3
95.04961	16.8
95.08608	35.3
97.02892	4.4
97.06499	5.8
97.10150	9.6
105.07028	54.6
107.04956	18.3
107.08596	47.6
109.06498	16.8
109.10148	54.6
111.04410	5.7
111.08046	8.7
117.07005	13.3
119.08593	38.5
121.06480	17.0
121.10130	18.1
123.04402	9.7
123.08047	15.3
123.11693	7.5
123.85604	4.8
125.09610	14.8
129.07008	8.1
131.08551	31.0
133.06454	11.9
133.10114	52.3
135.08038	13.3
135.11725	9.8
137.09586	7.1
141.06967	5.5
142.07678	6.0
143.08527	10.9
145.10143	9.7
147.08041	15.6
147.11684	13.3
149.09628	14.6
151.11185	29.8
157.10144	10.6
159.11710	6.1
161.09561	16.0
163.11185	5.4
169.12114	5.6
171.11659	11.2
175.11252	9.9
177.09039	8.0
185.13257	8.1
189.11252	8.0
189.12810	8.8
199.11128	5.7
221.03647	4.8
235.10481	5.2
245.18936	16.7
253.14342	22.5
255.17392	6.2
257.04492	9.8
263.19971	8.8
271.15378	21.6
273.18491	54.4
286.04736	8.6
287.05453	10.1
291.19559	100.0
309.20477	7.9
365.23230	88.3
365.27496	9.8
365.32874	5.2
383.11194	45.3
383.24121	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	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.6
55.01867	13.6
55.05513	35.4
56.96560	4.7
57.03442	22.7
61.02921	3.4
61.16160	2.9
65.03932	3.0
67.05508	77.9
69.03428	10.2
69.07072	35.1
71.04983	6.8
71.57249	5.4
73.02919	4.4
79.05495	49.3
81.03407	12.1
81.06587	4.4
81.07061	77.2
83.04971	16.2
83.08621	20.2
85.02889	9.9
85.06542	5.9
89.72205	2.6
91.03954	3.3
91.05487	40.8
93.07042	43.5
95.04962	19.4
95.08611	28.8
97.02891	10.7
97.06538	18.1
97.10188	18.1
99.04480	3.1
101.86622	3.5
105.07021	40.3
107.04926	13.3
107.08603	41.5
109.06523	9.4
109.09478	4.2
109.10161	53.2
111.04443	4.3
111.08083	5.9
117.06940	13.4
119.08569	23.7
121.06499	9.9
121.10132	17.0
123.04495	4.7
123.08065	10.5
123.11681	4.4
125.06012	3.3
125.09660	15.3
129.07007	9.4
131.08562	21.8
133.06497	9.6
133.10143	36.1
135.04414	3.3
135.08051	11.5
135.11699	9.0
137.05978	5.0
137.09584	6.6
143.08545	10.3
145.10092	14.7
147.08064	10.3
147.11673	10.6
149.01184	4.6
149.09601	15.9
151.11179	16.6
153.08968	3.0
157.10066	5.0
159.08105	4.2
159.11710	5.6
161.09625	8.5
161.13266	2.9
163.11206	6.8
165.09123	6.6
169.12207	5.2
170.87163	3.1
173.11742	3.7
173.13174	3.7
174.99010	3.4
175.11174	7.0
177.09076	9.3
183.11830	2.7
189.00453	2.6
189.11197	8.5
189.12790	3.4
193.12148	4.5
211.13338	3.1
219.34195	2.4
223.13292	8.9
227.12816	5.2
227.17844	7.4
233.15340	6.1
244.09657	10.7
245.19081	10.9
251.13052	4.4
252.09454	5.9
253.14398	8.6
255.17572	5.4
257.04443	12.2
263.19904	3.1
269.13840	5.7
271.15381	5.1
273.18494	44.8
286.04471	3.0
287.05447	11.8
291.19580	100.0
293.13272	7.5
309.20718	4.6
311.05481	5.7
339.08643	6.2
347.22134	7.2
358.04474	3.2
364.78406	3.0
365.23257	91.8
383.11215	51.4
383.23932	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	382.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95765	0.3
56.96567	6.5
60.03229	0.3
64.21533	0.3
67.46044	0.4
69.48061	0.3
69.58093	1.7
69.58493	0.6
71.95260	2.5
98.21514	0.4
98.97585	100.0
102.03278	0.3
116.98624	41.3
134.99661	9.9
140.00185	1.0
153.00716	0.4
174.97694	0.3
181.97389	0.5
216.98802	1.2
234.99777	1.5
235.99840	0.7
240.98645	5.8
256.96796	0.4
257.96860	0.5
258.99774	65.5
260.00018	1.5
261.03101	0.6
262.03061	0.5
262.39023	0.3
274.97626	0.9
275.97787	0.7
277.00821	73.4
278.00928	1.7
282.01410	1.2
282.99994	1.3
284.99780	0.4
295.01758	0.5
298.97748	0.8
299.97925	2.0
300.02335	1.3
301.01059	1.1
316.99066	0.4
317.99103	1.6
341.98962	1.3
359.00146	0.9
360.00101	2.4
382.99960	2.8
401.01007	8.2
405.99329	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.5
55.01860	2.8
55.05507	15.1
56.77695	1.6
57.03426	4.0
58.06359	1.5
58.06597	28.1
60.04524	45.3
67.05502	19.8
68.05025	20.9
69.07066	25.0
69.66424	3.0
69.66833	6.3
70.06590	3.7
71.04979	3.7
72.08141	5.0
75.60576	1.5
79.05490	16.1
80.76820	1.5
81.03398	5.0
81.07050	22.0
82.06559	5.8
83.04971	5.2
84.08128	5.7
85.06516	2.4
86.09701	27.0
88.07626	4.6
91.03979	1.8
91.05476	12.4
93.07047	18.3
95.04951	4.1
95.08596	6.6
96.08128	100.0
97.06523	34.3
97.08900	6.1
97.10153	2.7
99.66446	1.7
100.07618	12.9
105.07042	10.2
107.04908	3.3
107.08597	11.4
108.08099	4.8
109.06502	6.7
109.10145	6.4
111.08086	7.1
112.07590	7.3
114.09161	28.1
115.07568	4.6
117.07003	6.0
119.08618	8.9
121.06506	4.9
121.10149	7.4
123.08054	4.4
128.10715	16.6
129.06976	2.7
131.08569	8.0
133.10130	8.6
135.08031	7.4
135.11647	2.0
137.09616	2.7
138.09131	15.8
143.08528	2.4
145.10095	5.6
147.08078	3.9
147.11685	4.5
149.09639	3.4
149.13316	2.4
156.10199	74.6
157.10088	4.0
159.11682	4.8
161.09665	3.2
161.13258	2.9
163.11154	2.3
170.11760	6.9
177.06454	1.6
177.12711	3.9
185.13173	2.2
195.13728	1.6
203.03580	1.7
203.42119	1.8
213.63368	1.6
245.18953	2.9
249.12701	1.9
255.17499	3.9
257.04507	11.2
258.05270	5.7
270.69617	1.8
272.20099	1.6
273.18494	29.9
277.21689	2.1
286.04745	5.0
287.05527	19.5
290.21207	5.1
290.26596	1.7
291.19504	5.2
302.17712	1.9
304.22552	5.7
305.21066	15.8
322.23798	15.3
350.23065	2.3
357.15735	1.7
364.24866	7.2
376.37064	2.2
382.21445	2.5
382.25897	63.2
383.11258	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	382.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01866	1.5
55.05508	11.1
57.03419	3.5
58.06583	3.9
60.04530	19.3
67.05505	12.3
69.03424	2.6
69.07066	9.0
70.06586	3.1
71.00688	1.1
71.01036	1.5
71.04970	4.0
72.04492	1.0
72.08144	2.1
79.05501	14.6
80.05009	1.3
81.03430	1.6
81.07062	16.9
83.04972	1.9
83.08620	5.6
84.08152	5.7
85.06544	2.3
86.09225	1.5
86.09711	20.6
88.07608	3.4
91.05479	7.8
93.07049	13.2
94.06550	2.0
95.04951	4.6
95.08607	6.8
96.08111	2.3
97.06538	5.9
97.10171	12.2
100.07584	1.4
105.07027	6.8
107.04933	3.1
107.08606	9.1
108.08125	1.5
109.06536	4.8
109.10152	3.5
110.06049	2.5
111.08092	1.6
112.07610	17.4
113.06007	1.3
117.07001	3.4
119.08563	5.1
121.06493	1.6
121.10159	6.7
122.09698	5.5
123.08039	3.4
124.07597	1.4
125.09643	13.7
126.55243	1.0
128.09796	1.6
128.10721	19.9
130.08696	1.0
131.08536	6.2
132.08063	1.2
133.06497	1.0
133.10133	3.0
135.08058	4.9
135.11697	3.6
136.11160	1.7
137.09579	1.1
138.12744	2.7
143.08560	2.4
145.10118	4.0
147.08046	1.0
147.11700	2.6
148.11189	2.7
149.09764	0.9
149.13286	2.1
153.09076	2.0
154.08662	4.7
156.10251	3.6
159.08018	1.3
159.11714	3.2
163.11218	2.1
165.12686	2.0
177.12773	2.9
180.13895	7.6
182.15422	2.4
187.11151	2.2
199.14777	1.3
203.12727	8.1
208.13324	2.0
209.38948	0.9
223.13222	1.1
224.16434	1.1
237.14883	1.5
240.16016	1.9
256.19113	1.6
257.04517	4.2
258.05246	1.5
272.20053	1.5
273.18494	5.9
287.05521	2.2
287.19955	1.3
290.21143	2.5
291.19342	1.3
304.22723	7.1
305.21042	6.1
322.23785	10.5
340.24829	1.2
364.24814	26.8
382.25882	100.0
383.11316	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	382.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59550	1.0
53.03962	1.1
55.01869	3.1
55.05510	7.3
56.05030	4.8
56.96556	5.4
57.03419	2.3
57.07054	1.3
59.04993	1.5
60.04521	11.3
63.56493	1.1
67.05502	17.1
68.05014	2.5
69.03430	1.6
69.07067	10.7
69.28985	10.5
70.06575	1.3
71.95284	1.2
72.08138	1.2
74.09703	3.0
79.05489	13.3
80.05006	4.7
81.03419	2.9
81.07055	27.1
82.06588	1.5
83.04971	3.8
83.08627	5.7
85.06544	1.6
86.09725	1.3
91.05481	10.6
93.07051	17.3
95.04945	4.4
95.08611	10.6
97.06528	4.0
97.10165	3.8
98.09685	4.7
99.08019	1.2
101.95039	2.7
102.96893	2.7
105.07027	8.3
107.04976	2.9
107.08597	9.6
109.06471	2.3
109.10169	11.2
111.08081	2.9
117.07028	2.8
119.08572	6.4
121.06521	2.5
121.10114	4.1
122.10526	1.2
123.08051	4.6
123.11662	2.4
124.11249	1.7
125.09626	4.2
129.07022	2.7
131.08540	3.9
133.10126	8.6
135.08070	4.1
135.11703	2.9
136.11240	1.6
137.05980	1.6
137.09610	4.2
140.10748	1.5
145.10149	4.5
147.08060	1.7
147.11700	3.0
149.09602	4.2
151.11166	5.3
154.12265	23.0
155.10675	1.3
157.10159	2.9
161.09671	1.5
161.13290	1.7
163.00729	1.2
163.11217	3.8
168.99413	1.3
171.11757	2.1
175.11096	1.7
177.09186	1.2
182.15424	2.2
186.14897	11.3
189.12759	1.4
192.13802	3.5
196.13385	5.5
200.50453	1.4
203.12704	1.6
208.13266	1.6
217.07773	1.2
224.08107	1.3
224.16364	2.1
228.16118	2.2
255.17598	2.0
262.63525	1.6
273.18451	4.8
278.11377	1.6
282.02939	1.4
285.10080	2.2
290.21381	2.3
291.19568	3.5
304.22678	2.4
305.21103	16.4
320.18756	1.4
322.23776	2.6
323.22382	1.5
340.95975	1.5
341.11768	2.6
350.23108	1.3
359.12558	2.0
364.24701	2.7
382.25916	100.0
383.25925	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	382.171
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
51.37538	0.7
55.01881	1.1
56.19458	0.7
56.96568	0.9
57.03419	1.0
57.07063	2.3
57.66568	0.7
59.04990	2.4
60.04512	0.7
61.02925	1.7
67.05499	1.8
69.03419	3.3
69.07062	3.0
69.92488	4.0
70.02944	2.3
70.06588	2.4
71.05012	0.8
72.04528	7.5
73.02910	1.9
78.09756	0.6
79.05497	0.8
81.03409	1.1
81.07039	1.7
85.02918	8.0
85.06536	5.1
86.09709	1.7
87.04469	1.1
87.08116	1.1
88.07634	10.3
89.28847	0.7
90.05559	54.1
95.04974	2.8
97.02876	2.7
98.02409	7.9
98.97585	1.9
99.08080	1.9
100.03977	1.7
103.07576	2.8
104.07084	2.4
109.02851	0.8
110.97565	0.8
113.05985	1.8
116.03448	7.2
116.98637	0.8
124.07613	7.9
127.03932	1.4
128.98605	0.8
142.08626	5.0
145.04962	1.9
146.99533	1.1
158.99673	1.2
159.46796	0.8
160.09718	1.6
166.08633	1.6
174.11282	1.0
184.09698	10.8
186.97383	0.8
202.10757	21.3
219.01775	1.4
220.11809	100.0
221.12215	0.8
237.02945	1.0
250.12962	1.4
298.19046	0.8
383.09457	2.6
402.21338	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98653	1.8
55.05515	19.6
55.07003	2.5
56.66968	2.0
57.07090	10.0
59.04999	2.7
64.05056	2.0
67.05514	20.6
67.24993	2.0
69.07076	29.3
69.37000	18.7
69.66552	2.4
71.08640	15.3
79.05505	10.3
81.07065	37.7
83.04990	5.2
83.08629	13.5
85.06525	7.3
86.09693	5.7
89.06014	6.3
91.05491	12.0
93.07051	19.0
95.04939	3.3
95.08605	30.0
97.06520	6.2
97.10155	5.2
98.20782	4.5
99.08092	17.7
105.07028	14.4
106.32213	2.3
107.08611	17.2
109.06500	9.5
109.10173	15.7
111.04472	2.4
111.08057	5.2
117.07001	4.4
119.08578	17.7
121.10116	11.6
123.08076	39.6
123.11713	6.7
125.05930	3.6
131.08543	7.0
133.10117	14.5
135.08029	6.8
135.11656	9.0
137.09607	2.8
137.13171	3.2
143.08516	3.0
145.10097	8.6
147.11700	6.3
149.09618	6.3
149.13214	6.3
153.12698	8.2
157.10149	3.2
159.11641	6.1
161.13245	7.5
163.14824	2.9
165.12755	3.4
169.10139	3.6
173.13286	4.8
175.11200	3.9
175.14821	6.8
177.12802	2.8
179.14319	39.7
181.12311	2.7
183.11729	2.7
189.16386	2.5
191.14314	3.9
193.15918	2.9
197.13332	2.3
205.15875	3.7
219.78963	2.1
248.87337	2.0
251.20087	21.2
269.12421	5.2
274.59354	2.3
293.21136	10.3
293.28427	5.2
303.26804	19.6
321.27786	7.3
331.26300	62.9
349.27408	100.0
363.28946	58.4
364.07901	2.1
364.13779	2.1
364.31473	3.5
367.28458	5.5
381.27377	22.0
381.30524	3.4
381.31903	4.2
393.79980	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	381.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	1.5
57.07072	2.5
59.04972	1.2
63.34675	1.1
67.05502	2.3
67.39963	1.1
69.07059	1.8
71.08630	1.8
71.57138	1.1
79.05486	2.6
81.07058	4.3
83.08617	1.3
85.02914	1.2
85.06548	1.4
86.09722	1.8
89.06023	4.2
91.05463	2.4
91.50794	1.1
93.07024	3.7
95.08604	3.9
98.97583	1.1
105.07034	3.4
107.08597	2.6
109.44123	1.1
117.06994	1.6
119.08592	4.1
121.10161	1.9
121.24931	1.3
121.83336	1.2
123.11683	1.4
123.41582	1.1
129.06979	1.2
131.08542	2.9
133.08629	1.5
133.10098	3.0
135.11737	1.4
142.07782	1.5
145.10094	2.9
147.11679	2.1
157.10187	1.6
173.13322	2.5
175.11139	2.1
177.54353	1.1
195.12270	3.4
196.12653	2.4
283.08533	1.5
345.82260	1.4
381.27664	100.0
382.28003	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	381.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30845	2.5
53.03937	8.7
55.01876	3.0
55.05513	34.7
56.33827	2.7
57.03439	3.7
57.07070	12.4
59.05003	22.9
65.03935	2.9
67.05513	27.7
69.03402	5.0
69.07066	16.6
71.04982	7.7
71.56888	3.5
72.08136	3.0
73.06563	3.8
77.03902	3.3
79.05497	41.7
79.05922	5.5
81.03382	3.2
81.07059	45.3
83.04980	5.2
83.08614	8.5
85.06544	72.4
91.05482	51.2
93.07041	48.7
95.04974	9.6
95.08609	38.2
96.96576	2.9
97.06542	4.6
99.08098	6.2
103.05494	3.2
105.07037	78.9
107.08591	42.9
109.06496	8.7
109.10165	23.7
111.08088	30.7
115.05441	7.4
116.06181	4.2
117.07020	28.7
119.08582	100.0
121.10143	31.9
123.08056	8.3
123.11705	8.1
125.09617	10.7
128.06218	12.2
129.07007	14.9
130.07776	11.2
131.08563	57.6
132.95657	2.9
133.10139	58.1
135.08067	7.8
135.11678	22.7
137.09645	7.1
141.06956	5.4
142.07793	22.7
143.08572	39.8
144.09331	11.4
145.10120	69.1
147.08105	7.3
147.11687	20.3
149.09610	11.6
149.13326	5.0
151.11186	11.1
155.06055	3.5
155.08534	11.6
156.09348	12.7
157.10135	43.6
158.07228	3.1
158.10893	10.1
159.08047	5.0
159.11697	34.1
160.08795	5.6
161.09676	3.4
161.13286	8.6
163.11166	14.9
165.07010	3.3
167.08557	3.5
168.09393	6.1
169.10139	17.1
170.10832	5.5
171.11685	22.4
173.09573	5.4
173.13277	31.2
175.11215	34.1
175.14809	19.2
177.12865	3.4
178.00269	3.6
179.08542	9.9
181.10112	11.2
182.10889	6.9
183.11691	24.8
184.12384	4.4
185.13260	17.6
187.11235	5.3
187.14796	7.1
189.12714	6.7
191.14243	4.5
193.10124	4.3
194.11014	6.4
195.11682	12.6
197.13255	17.2
199.11070	3.0
199.14841	7.3
201.12744	8.9
201.16251	13.9
207.11633	5.3
209.13263	33.6
211.14783	5.8
213.16412	4.2
215.14346	5.0
220.12611	3.5
220.14868	3.1
223.14868	4.9
224.15613	3.5
227.14148	3.8
236.80048	3.0
237.16379	7.0
239.18022	10.7
241.15909	4.9
249.16504	6.0
257.19040	7.0
260.15530	4.0
265.12759	3.3
265.19437	5.3
271.20621	4.2
275.18005	4.4
289.21576	12.6
289.24686	2.7
302.22562	5.1
302.79501	3.0
323.23868	3.8
331.24136	6.0
349.25058	7.9
381.23663	4.5
381.27829	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	381.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19179	1.7
51.09904	1.9
53.03927	4.2
55.05506	8.5
56.96565	5.4
57.03435	13.1
67.05178	2.7
67.05505	41.2
69.07067	22.3
69.50716	12.2
69.51131	3.8
71.04982	7.5
79.05492	20.4
81.03390	3.0
81.07058	48.0
83.04977	6.2
83.08616	12.5
85.02901	2.4
85.06529	2.8
88.62358	1.9
91.05485	13.1
93.06497	1.8
93.07047	30.0
93.35919	2.0
95.04954	3.2
95.08608	12.4
97.06534	8.6
98.97589	3.9
99.08106	2.9
105.07021	6.5
107.08601	19.0
109.10183	3.6
111.08073	7.7
112.99290	3.6
113.00026	34.3
117.07010	6.2
119.08571	4.1
121.10110	10.1
130.08806	1.9
131.00160	5.1
131.08575	3.3
133.10085	3.9
135.08078	2.6
135.11688	6.8
136.24258	1.8
149.01151	3.8
149.09622	2.1
149.13266	25.1
156.03563	2.3
158.99628	2.3
159.11714	8.4
169.02626	24.0
177.12766	7.1
187.03658	3.2
195.13808	17.0
201.00839	2.0
219.11368	2.9
243.08966	2.6
269.17474	100.0
284.12726	3.2
300.14044	13.3
300.64297	2.0
363.15637	5.5
365.15479	2.5
381.16403	7.6
381.20074	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	381.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41859	1.4
55.05515	10.2
56.96568	3.3
57.03440	15.2
59.00657	1.6
65.03923	1.9
67.05507	36.5
69.03411	2.3
69.07069	16.4
69.78690	4.1
69.79105	5.6
70.88149	1.5
71.04994	4.0
76.23370	1.6
79.05153	1.5
79.05500	18.4
81.06584	3.0
81.07054	46.5
83.04966	5.8
83.08627	9.1
83.76151	2.4
85.06535	4.5
85.81010	1.6
91.05492	8.6
93.07044	32.1
95.04977	3.2
95.08617	13.4
97.06517	7.0
98.20836	2.2
98.97549	3.0
99.08058	1.8
105.07030	3.5
107.08601	17.0
109.06477	2.1
109.10150	2.2
111.08081	4.0
113.00013	30.9
113.17097	1.7
117.07005	4.5
119.08586	2.0
121.10158	10.4
131.08533	6.1
133.10139	4.4
135.11665	3.8
137.09631	2.1
143.08589	1.6
149.13274	23.0
159.11694	11.1
169.02617	21.2
177.12755	7.6
195.13785	13.8
251.16455	2.1
269.17477	100.0
276.82440	1.6
300.14078	6.7
363.15503	2.5
381.16376	4.1
381.20337	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	381.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03070	1.4
53.03959	2.7
53.78026	1.3
55.01865	3.6
55.05519	11.6
56.97828	1.5
57.03442	16.1
57.07062	1.7
59.32719	1.5
60.04613	1.5
67.05181	3.1
67.05507	41.3
69.07071	17.9
71.04984	5.6
71.49126	1.4
79.05492	25.1
81.07061	56.5
83.04977	5.5
83.08617	13.2
85.02823	1.8
85.06544	3.4
91.05486	12.0
93.07050	42.6
95.04955	4.7
95.08617	16.8
97.02919	1.6
97.06544	9.1
98.97600	3.3
99.08083	3.7
105.07011	6.6
107.08593	22.5
109.06528	1.9
109.10122	3.5
111.08070	6.4
112.99222	3.8
113.00024	74.2
117.07019	7.5
119.08566	5.2
121.06483	2.1
121.10162	14.8
123.11724	2.2
131.00150	1.6
131.08556	8.9
132.36594	1.6
133.10083	5.4
135.08015	2.0
135.11699	5.7
136.06033	1.6
139.11113	2.5
143.08533	2.5
145.10094	2.5
147.11620	2.1
149.01251	2.2
149.13260	34.4
159.11691	11.3
169.02620	69.0
177.12782	11.1
187.03658	6.3
195.13811	15.0
219.43736	1.6
224.08058	3.7
251.16443	2.4
252.09688	1.8
260.28265	1.7
269.17487	100.0
270.17661	2.1
286.49445	1.8
289.17764	1.6
289.21487	1.5
300.14090	1.9
332.13177	2.4
363.15738	11.0
381.20667	3.1
381.23474	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58757	0.6
61.36676	0.6
70.05109	2.8
86.44537	0.6
90.55346	0.7
91.71155	0.6
92.54839	0.6
98.20900	0.9
201.01601	2.3
219.02667	2.8
270.37756	0.8
381.07935	100.0
382.08298	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
55.05509	2.0
61.02912	1.2
62.61216	0.8
67.05183	1.1
67.05511	14.6
69.03432	3.1
70.86454	2.1
71.04984	1.7
79.05475	2.0
81.03417	1.3
81.07059	11.6
81.46998	1.0
83.01329	0.9
85.02503	0.9
85.02910	10.9
91.05421	1.1
93.07037	2.6
93.97461	0.9
95.04974	2.1
95.08614	8.7
97.02881	3.0
97.06485	1.6
99.04465	2.3
99.08079	1.1
104.56180	1.0
107.08598	1.5
109.10161	59.7
119.08562	3.8
121.10155	1.6
125.05988	8.8
127.03924	1.4
137.09621	100.0
143.43443	1.0
145.05003	1.8
155.09421	1.9
155.10680	34.3
161.16991	0.9
165.09128	50.5
180.08607	1.3
183.10170	36.7
201.11223	85.1
302.17502	2.3
380.20551	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	380.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.5
55.01865	9.1
55.05515	34.7
56.96549	5.7
57.03423	6.0
58.06584	9.6
60.04518	5.5
61.83097	3.0
65.03957	4.5
67.05505	25.9
69.03413	6.8
69.07083	13.0
70.06586	6.3
70.33241	9.5
71.04984	9.5
72.05972	3.1
72.08142	4.0
79.05489	27.5
81.03402	5.6
81.07069	30.2
83.04987	6.2
83.08614	18.0
84.08140	7.3
91.05486	24.6
93.03488	2.4
93.07030	21.9
94.06549	4.2
95.01306	7.1
95.04936	14.6
95.08604	15.1
97.02885	4.9
97.06525	9.7
97.10168	24.6
105.06346	4.1
105.07011	19.3
105.95348	2.7
107.04939	10.2
107.08582	18.4
108.08110	3.6
109.06503	8.3
109.10153	11.2
111.04424	4.7
111.08106	5.7
113.05984	8.6
117.07008	9.0
119.06017	2.8
119.08572	23.4
120.04494	4.9
120.08097	4.2
121.02850	11.4
121.06495	23.0
121.10119	6.7
122.09661	3.4
123.04427	5.1
123.08067	6.1
125.09647	23.3
127.07548	2.4
129.06995	5.6
131.08559	10.4
133.06490	6.8
133.10095	7.0
134.09706	4.2
135.04346	3.4
135.08052	11.1
135.11749	3.3
136.11221	8.3
137.05959	4.9
137.09613	5.3
138.09131	3.2
143.08554	4.5
145.06523	5.6
145.10109	5.3
146.09682	4.0
147.11617	15.8
149.05977	3.9
149.09659	3.8
152.33794	2.7
153.09116	3.4
154.12256	2.8
157.10095	4.2
158.07190	3.5
159.08064	5.2
159.11650	3.6
161.09715	3.9
162.09166	6.6
163.07480	14.4
170.08160	6.5
173.09686	6.1
175.11191	3.3
183.11775	3.5
187.11354	2.4
191.10576	3.2
193.12263	6.1
196.13354	12.6
201.12685	4.1
203.12704	12.3
219.13866	14.2
221.11714	13.6
229.07410	2.9
233.15346	7.4
237.14900	9.7
247.13388	7.1
249.14911	2.5
251.16484	27.5
261.18552	2.9
270.18622	4.7
271.16864	3.7
275.20166	3.4
277.21762	2.8
288.19641	11.6
289.17990	26.4
292.22754	3.1
302.17792	3.5
302.21127	4.8
307.19037	6.8
320.22311	6.8
321.20523	12.9
324.21613	5.4
334.23819	10.7
348.21503	5.1
362.23242	51.1
380.24356	100.0
380.30383	4.7
381.26288	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	379.2842
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.12946	2.5
55.05514	18.7
57.07093	12.4
65.33553	2.3
67.05515	21.4
69.07069	24.6
69.19333	26.2
71.08621	5.4
79.05494	14.6
81.07061	25.8
83.04975	7.2
83.08611	8.3
85.06541	5.9
89.06041	3.2
90.40601	3.0
91.05470	10.3
93.07040	23.8
95.08607	32.0
97.06543	9.3
98.21464	5.3
99.08118	5.4
105.07045	11.7
107.08585	23.5
108.34961	2.3
109.06524	11.6
109.10131	8.6
111.04447	36.6
111.08049	4.9
117.07066	2.4
119.08579	7.9
121.06500	3.3
121.10129	11.3
123.08087	9.8
123.11715	4.5
125.06002	16.1
126.82737	2.5
131.08633	3.4
133.10110	8.6
135.08101	17.3
135.11691	14.6
137.05922	6.3
137.09692	2.9
137.13274	5.1
145.10136	10.1
147.11688	6.2
149.09566	4.6
151.07538	4.8
153.12744	6.1
157.10065	4.0
159.11668	3.4
160.62521	3.1
163.11156	7.0
163.14752	3.0
165.12703	4.5
167.14220	2.9
175.11180	4.3
177.12798	5.4
179.14302	4.4
181.12277	11.3
191.14435	2.6
193.12199	3.6
195.13940	4.6
207.13783	2.6
221.19002	5.4
221.72382	2.5
235.20692	3.0
259.99506	3.0
276.01410	2.6
282.15924	2.4
287.23865	2.8
305.24722	100.0
319.26376	21.6
329.24750	7.0
347.25818	87.7
347.29257	2.3
351.28922	26.0
361.27371	15.3
364.96729	3.2
379.28482	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50461	0.2
55.05502	0.5
57.03426	0.3
67.05499	0.6
69.07065	0.6
69.39481	0.3
69.71165	0.3
71.52262	0.5
79.05502	0.5
81.07056	0.7
91.05479	0.7
93.07041	0.4
94.42268	0.3
95.04942	0.6
95.08608	0.7
97.06498	0.4
105.07022	0.8
107.08602	0.6
109.10133	0.5
117.07001	0.3
119.08570	0.3
121.10159	0.5
123.07995	0.3
131.08521	0.4
133.10158	0.6
147.11684	0.5
157.10199	0.4
161.09680	0.3
164.11792	0.3
173.09579	0.3
222.78908	0.3
247.08449	0.4
277.14185	0.6
281.17184	0.6
309.16718	0.6
333.16727	0.5
379.24545	100.0
380.24799	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03596	2.1
52.34034	2.2
55.05504	5.6
56.96548	4.9
57.03424	2.8
57.07066	6.2
64.38093	2.3
67.05499	14.0
69.07055	7.1
70.16378	2.3
71.00732	3.5
71.01043	3.1
79.05473	7.7
81.03403	3.8
81.07053	16.4
83.08598	2.8
91.05460	4.3
93.07031	9.2
95.08607	12.4
97.10130	3.9
104.75502	2.6
105.07011	6.2
107.08556	7.7
109.10114	5.0
116.63717	2.4
119.08568	5.7
121.10113	7.6
121.70840	2.8
147.11623	2.6
175.66708	2.8
186.63902	2.7
269.31213	2.7
283.12076	3.7
361.31198	13.4
379.18723	100.0
379.31964	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	379.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25974	0.4
54.94418	0.4
56.63018	0.4
56.96540	0.5
58.34423	0.4
67.05509	0.6
69.07056	0.5
69.57833	2.2
69.58249	0.7
93.07039	0.5
97.90064	0.4
98.20802	1.0
100.02420	0.4
111.96590	0.4
119.08521	0.4
135.11829	0.4
141.69083	0.5
162.24649	0.4
207.13943	0.5
247.08531	0.8
251.75021	0.5
260.85107	0.6
309.16592	0.8
347.79068	0.4
362.86920	0.5
379.24554	100.0
380.24789	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.4
55.78382	0.5
56.96559	2.1
60.94366	0.7
67.05495	1.9
69.07043	1.4
70.68446	1.5
73.02892	0.7
79.05485	1.0
81.03397	0.7
81.07043	2.4
83.08601	0.8
85.39187	0.5
91.05476	1.3
93.07039	2.4
95.04945	0.8
95.08576	2.1
95.09176	0.7
97.06528	0.6
98.97575	0.7
105.07027	1.9
107.08608	1.5
109.10154	1.2
119.08565	0.7
121.10164	1.2
123.11761	0.7
128.52260	0.6
131.08499	0.9
133.10136	1.1
135.11673	1.0
145.10107	0.8
229.07504	2.1
247.08463	0.8
287.23557	0.8
316.65802	0.6
349.16800	0.8
379.19110	11.2
379.24545	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1575
Annotation	Abafungin
Peak:m/z	Relative Intensity
56.96549	2.0
58.89668	0.6
62.36028	0.7
67.81670	0.6
69.03429	0.9
69.79927	3.5
70.06615	1.1
72.08140	0.7
74.06078	1.7
85.02897	2.0
97.02890	1.4
98.20786	1.2
98.97589	8.4
116.07048	0.6
116.98592	3.9
127.03980	0.7
137.05910	0.8
145.04843	0.8
147.04382	0.7
158.99614	3.6
164.86478	0.7
177.00732	3.3
216.45251	0.8
217.03838	0.9
217.10489	10.7
219.01622	1.5
219.98814	0.7
233.14992	2.3
237.02946	1.5
319.12701	1.4
323.87039	0.6
337.08051	3.3
379.15738	100.0
380.15955	2.4
402.63141	0.7
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
53.02082	0.4
56.96558	0.6
61.02914	0.5
67.05508	0.9
69.03443	1.0
69.07056	1.0
69.84002	1.5
70.06578	1.2
72.08134	0.6
79.05491	0.8
81.03386	0.6
84.08140	0.9
85.02907	2.4
86.03234	0.4
86.09703	0.9
91.05476	0.8
93.07050	1.0
95.04965	0.8
95.08620	0.6
97.02871	1.4
98.97552	1.0
99.04397	0.5
106.74108	0.4
107.08572	0.8
110.09647	0.5
135.08035	0.6
137.05978	1.0
139.00453	0.4
141.05453	1.8
145.02866	0.9
149.05875	0.5
163.07523	1.8
169.08656	0.4
177.05470	2.2
181.08557	1.1
185.04237	2.6
192.59378	0.8
199.09703	2.9
217.04727	3.9
228.57098	0.6
230.11359	1.0
259.15329	1.0
303.17847	1.3
335.20639	0.8
356.74991	0.5
379.09988	100.0
379.22723	2.1
380.10199	1.2
401.20856	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
55.05501	0.8
56.96574	1.2
64.62451	0.5
67.05495	1.1
69.03422	1.5
69.07055	2.1
70.06577	1.7
71.04974	1.0
71.56097	0.6
71.56477	0.6
72.08152	1.1
79.05486	1.8
81.03413	0.8
81.07059	2.3
83.04987	0.7
83.08604	0.6
84.08149	0.8
84.96025	0.6
85.02905	2.3
85.06573	0.7
86.09713	0.8
91.05487	7.3
93.07041	1.8
95.04926	0.6
95.08584	1.2
97.02888	2.0
97.06520	1.5
98.97569	2.2
105.07010	1.6
107.04978	0.7
107.08580	1.8
109.02893	0.8
110.97579	0.6
115.07626	0.6
116.98646	1.0
117.06934	0.4
119.01922	0.7
119.08588	0.8
121.06522	0.6
121.10137	1.3
122.57753	0.5
131.08563	0.5
135.08051	0.8
136.08395	0.5
137.05974	1.0
143.01913	0.6
150.07773	1.8
151.08081	0.5
152.05714	0.7
157.10091	0.5
161.02975	0.7
163.07562	0.8
164.07899	1.4
177.00720	0.9
177.07564	0.6
181.08633	1.1
182.08926	0.7
197.11656	0.5
198.74062	0.5
205.10976	1.0
219.01802	0.7
227.05165	1.1
229.10896	1.1
230.11389	1.6
237.02893	1.0
258.14893	2.8
259.15207	7.1
271.04178	2.3
273.12332	1.0
293.10190	3.0
302.17572	1.0
303.17807	3.0
311.09753	1.7
315.13934	0.8
317.19440	0.7
318.17169	0.6
327.07587	0.7
333.14572	0.6
335.10999	24.1
335.20355	1.6
361.14249	0.7
361.21927	0.9
371.13794	0.6
378.64597	1.3
379.09979	100.0
379.23245	4.5
380.09875	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
53.70218	1.4
55.01875	2.6
55.05511	11.1
67.05504	17.5
69.03419	3.8
69.07068	3.2
69.34936	6.4
69.35361	5.5
71.04974	1.5
78.56516	1.6
79.05495	20.9
81.03421	54.6
81.07063	20.4
83.04990	11.0
83.08620	17.7
91.05483	51.6
93.07053	12.9
95.04976	22.0
95.08601	6.8
97.06541	3.6
97.10172	3.2
105.07031	20.2
107.04937	8.5
107.08586	11.2
109.06517	6.2
109.10158	3.0
111.08080	8.0
115.05424	1.9
115.08323	1.7
117.07071	2.7
119.04942	17.7
119.08608	12.5
121.06497	3.0
121.10135	8.7
123.04454	3.6
123.08071	3.4
123.11690	1.9
125.09663	1.5
129.07002	11.3
131.08566	12.6
131.97513	1.6
133.06516	7.4
133.10138	14.4
135.04430	10.5
137.05980	100.0
142.07768	3.3
145.06482	2.0
147.04449	10.5
147.08008	3.7
147.11679	15.5
149.05975	4.6
149.09610	12.7
157.10147	16.4
159.08003	1.8
161.05980	18.9
163.07571	6.5
165.12787	3.0
171.08087	2.3
173.06015	10.0
173.09607	2.1
175.07549	8.8
175.11188	17.2
187.07532	11.8
189.09132	4.4
193.12253	49.9
199.07588	5.5
201.09181	3.7
207.13725	2.1
209.39856	1.5
213.09085	2.8
215.10794	2.5
223.10907	1.7
225.14844	23.4
257.15387	3.7
267.13647	2.2
283.16873	1.6
285.14911	7.4
293.15393	2.4
311.16391	18.7
317.17401	17.0
329.17429	24.7
343.19034	33.3
356.41815	1.5
360.21725	10.2
361.20099	43.7
378.22751	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23233	0.5
55.05475	0.7
57.03394	1.2
61.02909	0.7
67.05467	0.7
69.78559	2.5
70.06564	1.2
72.08125	0.7
77.21960	0.5
79.05473	0.7
84.04500	0.6
84.08124	0.6
86.09672	1.1
91.05447	0.6
93.06989	0.5
96.08138	4.2
97.06480	0.7
97.08887	0.9
105.06976	0.9
107.08618	0.6
116.07024	0.6
119.08537	0.8
126.89613	0.6
129.06976	0.5
130.21725	0.5
133.06454	1.7
140.37244	0.5
143.08551	0.7
147.08015	1.3
157.10057	0.6
157.27092	0.5
163.07457	0.9
173.06021	1.0
173.09529	0.8
175.07509	2.2
175.11180	0.9
176.07039	1.6
176.10741	0.7
181.08585	0.7
185.09555	1.3
186.09055	0.7
187.07530	1.2
188.10811	0.6
189.09068	2.3
197.05870	0.6
199.07390	0.6
200.10680	0.9
201.09085	2.0
201.11493	2.7
202.08434	0.7
202.12253	0.8
202.15898	1.7
203.10733	2.6
204.10106	1.2
205.10971	0.9
212.08339	1.6
212.10561	0.6
212.14182	0.8
213.09085	1.6
213.12732	0.9
214.08606	2.0
216.10185	2.2
218.11870	0.8
221.39604	0.5
223.11275	0.9
228.10152	2.1
229.10805	15.8
230.11781	2.7
230.15376	8.4
231.13786	3.0
240.13676	0.8
241.12331	3.8
243.12550	0.6
244.09567	1.2
244.13367	0.6
245.14041	1.5
254.11768	1.0
255.12628	0.8
256.13324	1.0
258.14908	47.3
259.15384	0.8
260.12857	0.9
260.67358	0.6
263.29251	0.6
272.16202	0.7
273.13602	21.6
274.18024	0.7
284.16293	0.8
302.17514	68.8
303.18039	1.0
305.16312	6.3
312.37915	0.5
316.15372	2.1
316.18906	0.9
334.20126	100.0
335.20441	1.6
346.20102	2.4
351.08487	0.7
360.17914	1.0
378.22781	69.4
379.08011	2.6
379.23251	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01861	2.3
55.05512	9.4
57.03431	1.6
65.03960	2.1
67.05516	15.4
67.05846	2.5
69.03421	1.8
69.07057	4.8
71.04971	2.6
71.29324	1.5
71.29653	1.5
79.05499	20.0
81.03424	44.3
81.06590	1.9
81.07063	21.9
81.12359	1.3
83.04990	7.7
83.08623	17.6
84.33090	1.2
85.06544	2.4
91.05488	37.9
93.07054	15.6
95.04972	15.4
95.08588	6.7
97.02882	2.6
97.06517	4.6
97.10153	3.0
100.83767	1.5
105.07034	17.4
106.28876	1.3
107.04984	7.9
107.08604	15.0
109.06507	4.9
109.10168	2.8
111.04481	1.4
111.08082	6.7
115.05394	1.3
117.07017	3.6
119.04975	9.6
119.08590	10.7
121.06518	3.4
121.10143	10.2
123.04427	3.6
123.08022	1.9
129.06976	9.2
131.04921	2.6
131.08578	13.7
133.06482	8.8
133.10138	10.2
135.04463	7.2
137.05988	52.1
145.06552	3.4
147.03386	1.6
147.04422	16.5
147.08043	4.4
147.11705	13.1
149.05983	5.2
149.09616	13.6
157.10118	10.3
159.08061	3.7
161.05995	22.8
163.03940	1.3
163.07535	6.3
165.12775	3.3
168.16327	1.3
171.08087	1.4
173.05977	13.5
175.07567	9.1
175.11191	13.1
176.23404	1.3
183.08099	1.8
187.07558	12.0
189.09146	7.0
193.12251	37.2
199.07567	5.7
201.09151	4.8
203.10762	1.4
205.08614	1.3
213.09135	2.2
215.10667	2.0
225.14839	18.3
257.15366	6.4
267.13962	2.0
285.14908	13.1
293.15393	2.0
301.17957	5.6
307.76819	1.4
311.16434	17.5
317.17429	17.2
329.17462	27.8
343.19016	15.3
361.20093	49.4
378.22760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01860	2.0
55.05509	4.7
57.03409	1.1
62.91209	1.0
65.03930	1.5
67.05499	10.7
69.07056	3.9
79.05494	13.3
81.03415	12.5
81.07059	20.6
83.04981	3.2
83.08615	5.1
85.06513	2.2
91.05484	50.7
93.07056	9.7
95.04976	8.1
95.08602	5.2
97.06519	2.7
99.08135	0.9
101.66032	0.8
105.07027	14.4
107.04958	7.2
107.08585	4.0
109.06551	4.9
111.08054	1.1
115.05447	1.1
117.07017	2.0
119.04950	21.1
119.08588	10.6
121.06539	1.6
121.10146	3.8
123.04423	3.4
123.08035	1.5
123.11714	2.4
129.07021	5.1
131.08546	9.0
131.83450	0.8
133.06483	2.2
133.08521	0.9
133.10126	12.6
135.04428	11.7
137.05977	100.0
142.07780	1.6
147.04408	3.9
147.11662	10.0
149.05984	3.4
149.09610	4.0
155.08586	0.9
157.06471	1.6
157.10141	7.7
159.08130	1.4
159.11693	1.3
161.05981	12.1
163.07570	3.1
165.12744	1.8
173.05998	11.6
175.07571	3.7
175.11172	8.8
177.12807	1.3
183.07985	2.2
187.07552	16.8
189.09085	1.5
193.12241	10.4
199.07579	2.6
201.09074	3.2
207.13837	3.5
209.15414	1.4
213.09035	2.2
215.10645	1.2
225.14796	2.1
227.10771	1.1
235.53011	1.1
283.16879	2.1
285.15036	1.2
293.15305	1.5
311.16327	10.1
317.92303	0.9
329.17496	4.8
329.89948	0.9
343.19037	66.0
344.19510	1.9
360.21710	25.8
361.19968	8.3
378.22736	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
56.96555	5.3
65.03947	3.0
69.03423	9.6
69.56852	19.6
72.08158	4.1
81.03431	4.4
81.07057	3.2
84.08132	3.0
85.02919	31.1
89.90397	3.2
95.04993	19.8
97.02905	11.2
98.97582	31.8
99.97957	3.4
100.11244	3.7
109.02840	4.5
116.98624	11.6
123.04459	18.6
125.02359	6.4
127.03902	6.8
134.99689	4.3
137.05978	4.9
138.05524	6.9
140.04694	94.4
145.04932	6.5
155.07047	47.4
158.99649	13.0
160.00015	6.3
166.02669	3.7
177.00706	7.4
178.01115	3.2
180.08688	6.5
181.04979	14.9
191.68413	3.3
199.06021	100.0
199.07785	5.9
200.16231	3.4
212.53917	3.1
219.01736	11.4
220.02066	7.4
225.07626	4.6
237.02847	4.8
318.09381	7.0
336.10480	5.5
378.11258	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	378.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31300	1.7
51.28763	1.4
51.87593	1.3
54.30390	1.4
55.05508	2.5
57.03443	2.2
59.03548	1.5
61.02919	5.0
61.37283	1.4
67.05484	5.2
69.03417	4.6
69.07059	2.8
69.86334	1.4
70.06587	2.0
71.56520	2.0
72.08163	2.3
74.06077	2.9
79.05487	10.0
79.68804	1.4
81.07047	6.1
82.07378	1.4
83.04960	1.6
83.08617	1.8
84.04508	1.8
84.08134	3.0
85.02909	12.6
86.09715	5.7
87.04514	1.6
91.03931	2.4
91.05480	11.0
93.07045	6.1
95.04961	3.3
95.08625	3.4
97.02880	8.4
97.06525	6.7
98.97523	1.9
105.07030	8.5
106.07314	2.2
107.08597	31.1
109.06507	2.8
109.10181	4.7
110.51630	1.5
115.05466	4.8
117.06997	9.8
119.08574	4.2
120.08079	2.1
121.06481	1.8
123.04431	4.9
125.09588	3.2
127.03869	2.2
128.06184	2.6
130.06548	1.5
131.07291	2.2
131.08531	3.0
132.08095	2.1
133.06531	3.0
133.10077	3.7
135.08060	100.0
137.06009	7.1
143.08560	2.2
145.10170	3.9
146.05988	1.7
147.06750	5.6
147.11655	2.8
150.07762	2.2
153.09093	21.3
160.11128	7.3
161.05974	1.8
163.07552	86.7
168.62048	1.6
176.06990	2.7
176.10628	2.8
181.08607	62.2
182.08170	1.8
187.11145	1.5
188.07108	7.3
188.10716	13.8
199.09659	46.9
199.11522	2.9
200.15346	1.8
204.10280	2.5
205.10997	2.5
206.11755	2.1
214.08543	1.9
217.10971	1.6
230.11703	1.7
238.69072	1.7
242.11638	3.4
243.12491	8.7
246.19350	6.6
256.02335	1.4
258.07651	2.2
272.16397	8.5
287.11630	1.9
302.17596	7.6
316.15445	96.2
334.16251	1.8
334.20383	3.0
360.17911	8.9
378.18646	22.1
378.23093	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	377.23
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55678	0.5
51.81998	0.7
55.05511	1.0
67.05479	1.1
69.07057	0.6
71.56410	0.9
79.41592	0.6
81.07038	1.7
91.05489	0.8
91.88175	0.7
92.30983	0.6
93.07018	1.1
95.08612	1.1
105.07013	1.8
107.08578	0.7
109.10157	0.7
113.00011	0.8
119.08544	0.8
121.10129	0.8
123.11710	0.6
133.10114	0.8
171.11670	0.6
180.06480	0.6
308.13162	0.6
335.20667	1.6
345.20209	1.0
377.22968	100.0
378.23297	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	377.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01861	1.1
55.05506	1.9
57.07082	6.5
57.47921	1.0
59.78358	1.0
67.05496	2.4
67.74902	0.9
69.07057	2.2
69.60766	7.3
70.06528	1.1
71.08637	4.8
77.41283	0.9
79.05465	1.0
81.07053	3.9
81.42616	0.9
85.10170	2.7
89.06019	4.4
91.05476	2.0
93.07011	2.6
95.08605	3.1
96.76972	1.0
97.10188	1.0
98.21497	1.7
98.36604	0.9
99.28763	1.1
107.08610	1.6
109.06538	1.1
109.10204	1.1
113.60451	1.0
119.08569	1.4
121.10136	2.2
133.08611	1.8
139.54085	1.0
151.05801	1.2
160.47780	1.2
167.60786	1.1
195.12286	3.2
269.00635	1.1
297.06537	1.2
331.22485	5.6
377.26669	100.0
378.27066	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25888	1.9
55.05511	9.4
56.05030	4.5
57.07051	3.1
58.06580	2.2
60.94473	1.9
67.05512	20.9
69.07057	8.1
69.91001	5.1
69.91407	4.5
70.06589	3.1
76.49001	1.8
78.53712	1.8
79.05491	17.1
81.07065	24.7
82.06567	3.7
84.08146	2.4
85.04037	9.4
85.10178	2.3
86.09669	4.7
89.06018	6.7
91.05497	10.1
93.07042	20.2
94.06576	4.2
95.06102	1.9
95.08614	17.2
96.08107	3.9
97.04018	7.1
97.07629	2.1
105.07047	10.8
107.08607	7.8
108.08149	2.2
109.07698	1.9
109.10158	7.3
111.05607	3.6
113.07158	12.5
117.07029	2.8
119.08575	7.2
121.10159	8.9
121.38675	2.0
122.09685	3.7
123.09176	3.3
124.11180	2.1
131.08615	3.9
133.08606	5.0
133.10144	4.6
137.10709	3.0
139.08656	8.0
141.10216	5.1
147.08055	2.0
147.11717	4.1
149.13231	2.5
151.13457	1.7
153.10257	6.1
159.11707	2.1
169.05206	2.0
173.13261	2.3
176.10728	2.2
179.11833	5.7
195.12361	5.8
199.14876	2.4
221.16534	2.5
226.17952	2.0
235.14429	3.1
249.16098	3.1
257.49338	2.2
265.19080	2.5
286.21713	6.8
302.21481	4.0
302.24722	4.0
303.24503	3.2
317.25500	3.2
334.27368	4.3
335.26944	47.3
345.25372	40.2
375.93567	1.9
377.27985	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1791
Annotation	Pro Phe Asn
Peak:m/z	Relative Intensity
53.87956	0.4
55.01855	0.4
55.05511	0.6
56.05015	0.6
56.96552	2.0
57.03427	1.8
58.56997	0.5
61.02939	2.2
69.03425	3.0
69.07057	1.3
70.01247	1.1
70.01653	0.7
70.06592	3.7
71.05005	0.9
72.08138	0.8
73.02911	1.7
79.05499	0.8
81.03401	1.3
81.07052	1.3
83.04989	0.5
84.04495	0.5
84.08124	1.5
85.02908	7.9
85.06524	0.6
86.06132	0.5
86.09693	1.2
87.04465	1.0
91.03979	0.7
91.05488	2.2
92.05823	0.7
93.07061	1.1
95.04904	0.8
95.08598	1.2
97.02878	3.0
97.06516	1.1
98.97607	2.9
99.04453	0.7
102.05520	0.5
105.07027	1.0
107.04972	0.7
107.08618	0.7
109.02898	0.5
110.97583	0.7
115.03938	0.5
116.98606	0.7
119.01839	0.7
119.04925	0.7
119.08498	0.5
120.08099	0.9
121.06492	0.5
123.04465	0.5
127.03922	1.6
129.06931	0.5
129.10220	0.8
130.06522	0.8
131.05054	0.6
131.08704	0.4
133.02870	0.5
133.06467	1.2
135.04410	0.5
135.11714	0.6
137.05995	1.6
138.06331	0.7
143.08505	0.5
145.02834	0.7
145.04953	0.9
146.06010	0.8
147.04448	0.9
148.04782	0.5
149.05972	0.9
151.03903	0.5
151.07558	0.6
157.06519	0.5
158.99658	0.9
159.08054	0.7
161.05927	0.6
167.07034	0.6
169.01784	0.5
177.05487	0.8
178.05826	0.6
179.07144	0.7
179.11891	0.7
180.07706	1.5
181.08176	1.2
185.50307	0.4
187.07605	0.6
197.12926	1.0
203.09407	1.2
206.08180	0.6
215.03128	0.9
215.12605	6.7
219.01585	0.7
225.04529	0.5
237.02850	1.1
243.05408	0.6
273.06488	0.9
284.09894	0.5
314.11258	0.5
316.12357	1.4
331.16370	0.5
334.12881	4.0
342.10794	0.5
359.12173	0.6
359.16205	1.4
360.11502	3.6
377.08185	3.1
377.17813	100.0
378.18152	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.1
56.96553	2.0
67.05499	0.9
69.07076	0.9
79.05489	0.7
81.07056	1.1
83.04980	2.7
91.05492	0.7
93.07030	1.0
95.08589	0.7
98.97599	0.6
119.08534	0.4
131.03737	0.6
134.99487	0.4
149.04825	0.7
178.57823	0.5
197.01280	1.1
199.44890	0.5
223.13043	0.9
241.00421	0.5
253.07571	1.7
271.08591	1.2
279.05280	0.7
297.06335	2.7
345.20370	0.6
359.25681	0.9
377.22986	100.0
378.23297	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	377.1455
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
50.84281	0.4
53.03952	1.8
53.70653	0.4
55.01853	0.6
57.03442	6.0
59.04988	0.6
61.02929	3.2
69.03434	12.0
70.60658	0.4
70.61018	1.3
71.01329	1.7
71.05001	3.0
73.02901	1.6
75.04498	2.2
76.46644	0.4
81.03421	3.7
81.97455	0.4
85.02879	0.5
89.35178	0.4
91.05464	0.8
99.04451	5.2
117.05495	1.0
130.06534	0.5
145.07571	1.8
159.09207	0.7
170.07159	1.0
172.08707	24.2
174.10248	0.6
190.09770	1.1
198.06624	6.3
200.08186	4.9
213.98586	0.4
216.05603	0.7
216.07692	13.9
218.09290	0.7
243.08788	61.6
244.07033	0.7
244.09250	1.1
258.14963	0.5
276.29449	0.5
302.17545	0.6
316.12686	0.8
359.13525	3.9
377.14572	100.0
378.14682	1.0
378.22882	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67778	1.1
55.05512	2.0
56.96557	4.5
59.47734	1.1
59.60619	1.2
67.05498	2.8
69.07059	2.2
70.90974	2.7
79.05494	2.1
81.07069	2.8
91.05484	1.6
91.93879	1.2
93.07046	3.6
95.04952	1.5
95.08602	2.2
105.07017	1.7
107.08604	2.4
107.90681	1.2
109.10175	2.3
119.08579	2.3
121.06559	1.3
128.27228	1.3
131.08643	1.5
133.10127	2.2
157.10138	1.5
162.52272	1.1
177.57549	1.1
213.25188	1.1
222.74075	1.1
283.12198	1.4
288.92007	1.2
325.12976	1.7
335.15274	2.7
336.21042	2.8
337.13202	1.5
353.16602	1.5
354.21927	6.6
359.18872	3.0
360.15103	1.3
377.17426	16.9
377.23041	100.0
395.21198	2.4
400.21381	1.8
403.60745	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04728	0.4
50.78619	0.4
56.96570	15.0
59.36642	0.4
70.46603	1.6
71.95275	3.7
72.96028	1.1
74.97598	1.0
84.96008	0.9
97.96286	0.4
97.96797	2.2
98.97593	1.0
105.00179	0.8
109.61739	0.4
110.97573	9.1
110.98333	0.5
115.97853	0.7
119.01706	0.8
123.01192	0.6
124.99148	0.5
128.98628	7.0
137.02763	0.9
143.00108	1.2
146.99677	2.1
152.00212	0.6
171.03368	1.1
185.04950	0.9
189.04492	0.5
191.05882	0.8
197.04802	0.5
205.07397	0.6
221.08701	0.4
250.92305	0.4
263.09531	1.8
277.11035	1.6
278.11935	0.7
291.12610	0.6
315.16135	0.4
317.17883	36.0
318.18228	0.7
326.08716	0.4
333.17484	2.1
335.18945	100.0
336.19202	1.5
353.20023	20.4
358.20578	12.2
376.21725	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	376.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.3
55.05510	24.2
56.96556	4.0
57.07062	3.5
60.95831	5.1
65.03942	2.6
67.05504	54.6
69.03415	3.0
69.07042	10.9
71.04991	100.0
71.08630	20.3
71.56366	3.1
71.56739	4.2
73.42068	2.6
77.53883	2.9
77.57881	3.0
79.05492	26.1
81.03399	3.9
81.07053	49.9
83.04942	5.1
83.08617	18.2
85.06533	7.6
91.05470	13.0
93.07039	32.3
93.27110	2.7
94.35605	3.1
95.04951	4.8
95.08620	25.4
97.06495	7.6
97.10165	21.6
99.08080	19.4
105.06997	7.2
107.08595	18.2
109.10161	33.7
111.08054	7.2
117.07005	8.2
119.08585	6.0
121.06508	4.1
121.10139	7.1
123.11663	4.9
125.09631	22.4
131.08578	8.3
132.97826	3.5
133.10168	14.8
135.08034	7.0
135.11702	23.5
137.05873	4.7
139.07553	4.7
147.11710	4.1
149.13264	15.1
151.11147	6.4
153.09109	3.7
155.10622	9.9
155.14270	6.7
159.11711	26.3
161.13228	4.7
163.11136	4.5
173.11751	38.6
177.12772	32.7
179.14374	3.9
181.12366	3.1
182.08263	2.9
185.13284	3.1
187.13300	32.5
193.93130	3.2
203.12794	20.8
209.15259	16.0
221.06711	4.5
241.17960	73.8
254.37346	2.9
259.20560	7.1
277.21619	31.5
284.09134	3.0
291.23206	8.4
309.24200	10.0
334.19385	35.2
335.15079	16.5
335.18924	7.0
349.16751	4.2
353.16165	68.2
376.17584	17.1
376.21414	2.9
376.25702	5.0
377.17850	8.0
377.22919	57.8
380.23730	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	377.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08925	1.5
53.03913	1.5
56.96569	12.4
57.03427	1.4
61.02913	1.5
62.06052	1.4
69.03426	4.4
69.72281	6.1
69.72710	2.0
70.06592	2.7
71.04985	1.6
72.08089	1.3
73.02921	2.5
73.06557	2.8
81.03406	1.8
81.07062	1.3
84.96043	1.7
85.02910	10.1
86.09696	4.4
95.04944	1.5
97.02901	7.0
98.06017	1.5
98.97578	16.8
109.02895	1.8
110.97562	3.8
112.99100	4.0
116.98607	6.3
118.20866	1.4
127.00654	4.9
127.03908	4.1
128.98590	4.7
131.00180	2.9
134.99622	1.9
137.05992	3.1
139.00638	2.5
143.00117	1.9
145.01704	4.3
146.99672	1.6
147.04410	1.9
149.01266	1.5
157.01714	8.0
158.99693	3.4
159.03320	3.4
171.03253	1.4
175.02785	5.7
177.00661	3.6
179.07033	2.5
180.05431	8.8
185.04782	3.6
189.05957	18.7
189.56076	3.1
195.03281	2.5
197.01221	1.6
197.04741	2.3
197.51648	1.9
198.06499	4.2
201.00542	1.9
201.12257	2.1
203.05936	2.6
213.04312	2.8
215.05910	8.7
219.01758	14.8
233.06949	5.9
237.02791	14.7
245.05217	2.0
248.12675	1.4
270.08719	1.7
291.07352	2.9
293.23785	1.4
297.06396	2.9
309.08444	5.0
317.04031	3.0
335.10065	1.6
344.11343	2.5
353.11865	8.2
353.61780	2.2
359.10135	22.5
377.11896	100.0
395.12207	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2892
Annotation	15-HTPE
Peak:m/z	Relative Intensity
51.51257	2.9
53.03937	3.9
55.01866	5.2
55.05510	17.4
57.03471	4.0
59.68190	2.7
62.92206	2.5
63.17110	3.1
67.05502	27.1
69.03423	3.1
69.07060	16.0
69.23966	29.6
71.04997	3.5
71.76770	3.3
79.05479	16.9
81.03426	5.8
81.07052	42.6
81.07462	4.0
83.04988	4.8
83.08642	4.3
91.05479	19.5
93.07043	28.1
95.04966	6.5
95.08607	32.2
97.06530	5.0
97.10184	3.3
98.20718	5.9
105.07053	20.3
107.04163	2.5
107.04935	6.8
107.08610	20.8
109.06568	3.9
109.10167	8.5
110.93578	2.8
117.07030	5.7
119.08563	17.2
121.06522	8.5
121.10163	9.6
123.08112	6.9
128.95737	2.7
129.07024	7.1
131.08606	11.6
133.10118	15.6
135.08064	5.2
135.11752	4.9
137.06010	4.7
143.08562	4.6
145.10141	12.9
147.11693	5.9
149.09602	3.5
157.10153	5.9
159.11707	8.0
161.09633	5.4
161.13309	3.7
163.14972	4.9
171.11719	3.4
173.13313	4.6
175.11313	3.1
175.14806	3.7
179.14333	5.0
183.11777	3.6
187.11351	3.4
201.16376	3.2
203.17937	3.2
217.15903	6.1
329.28503	17.9
339.26910	11.1
339.49524	3.8
357.27841	100.0
368.64542	3.5
375.27560	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.6
55.01850	3.0
55.05503	3.1
56.96573	5.2
57.03442	4.4
60.04524	3.6
61.02240	2.6
61.02927	4.8
69.03440	14.2
69.83873	5.4
69.84261	8.1
70.06586	10.0
72.08141	6.2
73.02930	3.8
79.05489	7.6
81.03413	8.0
81.07061	4.0
84.04536	2.9
84.08142	3.7
85.02917	27.7
86.03226	3.0
86.09689	5.0
87.10000	2.5
91.03938	5.1
91.05486	18.8
93.07023	3.3
95.04959	8.1
97.02888	10.4
97.06541	4.0
98.97605	13.8
99.04465	3.3
103.05451	2.8
105.07001	4.6
107.04960	18.6
107.08579	3.6
109.02913	3.3
111.00608	3.0
116.98598	5.7
119.04942	9.7
119.08608	5.4
120.08968	3.9
121.06530	6.4
123.04448	10.2
123.40241	2.3
127.03935	24.0
128.04233	11.1
128.07076	3.3
130.04990	2.3
131.04935	7.7
131.08502	2.5
133.02856	10.3
133.06462	12.3
135.04395	17.1
137.05974	25.0
143.00183	3.0
145.02843	4.7
145.04926	4.4
147.04420	30.5
149.02357	6.2
149.06003	6.4
151.07512	7.3
152.04648	3.1
161.02959	3.9
161.05991	25.8
163.03909	9.2
164.04651	7.2
165.05481	23.3
165.06873	5.3
167.07074	20.8
167.08363	4.1
177.05466	6.8
177.96640	2.5
179.03348	3.5
179.07094	32.0
179.08565	5.8
180.07814	46.9
181.08588	3.9
189.00722	3.2
189.74306	2.7
193.04982	3.3
194.05710	4.8
195.06557	8.6
205.04948	10.0
205.06631	4.0
206.05855	4.3
207.06511	6.3
210.06839	4.2
213.11221	12.4
214.11583	18.7
219.01709	3.9
223.05914	4.9
225.09073	7.5
237.02856	5.2
237.09137	4.6
238.06290	5.4
244.27184	3.4
251.06958	4.6
253.08589	9.4
265.08691	5.0
281.08200	12.3
281.88992	2.7
283.06146	2.9
283.09653	15.3
285.11115	9.3
297.11490	4.2
309.07513	3.9
313.10736	13.1
315.12241	37.7
327.08554	3.2
337.30203	3.0
341.10223	31.8
358.20969	2.8
359.11273	100.0
376.13406	29.5
376.21213	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	375.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.5
55.01855	3.5
55.05511	19.5
57.46880	2.4
58.95428	2.7
65.03960	2.4
65.32533	2.2
67.05508	31.3
68.90472	2.4
69.03430	3.7
69.07072	20.8
71.56693	3.9
77.04803	2.2
79.05496	36.4
81.07063	51.1
83.04979	4.6
83.08604	8.1
89.01645	2.4
89.51879	2.6
91.05486	67.2
93.06478	5.7
93.07050	85.7
95.04974	42.2
95.08607	47.8
97.06532	10.1
97.10147	2.7
103.05492	4.8
103.37350	2.5
105.04532	3.7
105.07034	100.0
107.08606	51.1
109.06554	12.1
109.10169	30.5
115.05445	5.2
116.06172	2.8
117.07031	20.4
119.08590	94.0
121.06502	16.0
121.10146	71.4
123.08052	4.2
123.11650	5.3
124.95712	2.6
128.06212	8.1
129.07010	14.7
130.07777	9.0
131.08571	52.5
133.10136	52.6
135.08060	5.3
135.11696	17.4
137.06003	7.1
138.06306	4.7
141.06973	4.5
141.23453	3.1
142.07803	21.4
143.08571	32.4
144.09369	9.1
145.10132	53.0
147.11682	21.2
149.09631	3.6
154.07758	3.7
154.94122	2.9
155.08525	8.8
156.09351	9.0
157.10136	40.4
158.10884	5.1
159.11699	35.8
161.09644	9.8
161.13258	3.5
165.07030	3.5
167.08572	4.4
169.10094	18.1
170.10934	5.8
171.11684	16.6
173.13258	20.9
175.11182	8.1
175.14841	11.3
179.08569	5.4
181.10083	9.1
182.10931	3.4
183.11671	13.0
183.41019	2.7
185.13333	6.7
187.11282	5.9
187.14842	14.4
193.10158	7.2
194.10928	3.7
195.11725	8.8
197.13257	12.4
199.14832	4.6
201.16350	6.0
207.11678	6.4
208.12405	3.3
209.13292	9.3
211.14844	6.6
213.16440	2.7
220.12614	3.4
221.39197	2.6
223.14883	2.9
227.17902	3.0
235.14835	4.1
239.17984	3.7
251.18015	2.8
253.15886	3.6
253.19452	5.4
254.16644	3.0
265.19492	2.8
336.59335	3.3
357.25397	3.2
375.27255	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	375.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15117	2.6
50.66998	2.8
53.03933	8.4
55.01870	19.9
55.05506	14.9
57.03429	4.7
57.07054	3.9
64.12278	3.1
67.05176	4.2
67.05506	56.1
69.03433	4.4
69.07062	23.4
71.56935	4.8
79.05493	42.1
81.03404	8.1
81.07060	100.0
83.04962	11.6
83.08600	7.3
83.37740	2.9
85.06496	5.3
91.05477	42.6
93.07047	40.3
95.04969	18.2
95.08049	5.1
95.08610	55.3
97.06509	6.5
97.10206	3.6
105.07028	34.3
107.04951	33.2
107.08601	26.7
109.06513	17.4
109.10152	13.6
111.08066	6.9
115.05484	2.6
117.07027	29.3
119.08595	26.8
121.06490	12.3
121.10159	14.3
123.04420	3.5
123.08085	8.5
123.11721	23.5
125.09602	4.6
129.06993	6.3
131.08560	38.8
133.06485	4.9
133.10135	17.5
135.08008	6.8
135.11673	10.3
137.05978	7.8
137.09641	3.6
137.13248	8.2
138.06256	3.6
143.08600	6.3
145.06477	14.2
145.10136	27.8
147.08040	7.3
147.11699	12.2
149.09569	6.4
149.13281	6.7
152.23836	2.9
157.10136	7.2
157.55917	3.3
159.11668	24.2
161.13194	5.9
163.11099	8.3
165.12769	11.5
169.10191	4.8
171.11710	9.2
173.13248	14.3
175.14763	3.6
177.12692	8.7
185.13219	5.2
187.11147	5.1
187.14798	13.9
191.14296	3.6
197.13217	5.8
198.23962	3.8
199.14819	4.5
201.16380	5.9
215.14218	8.2
233.15399	35.7
261.18448	3.6
265.18051	6.0
273.18784	3.1
315.26825	3.4
325.25262	7.0
343.26297	46.9
375.16318	4.3
375.28931	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	374.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
57.07081	5.4
58.06598	1.5
65.31339	0.3
69.07053	0.4
69.73404	1.6
70.06595	13.2
71.08628	3.3
72.08136	0.8
85.10161	0.9
88.07632	16.8
102.09179	11.3
109.74208	0.3
132.10161	0.8
133.38644	0.4
137.05946	0.8
138.06317	0.5
146.11766	0.8
150.11223	0.7
244.79063	0.3
268.30066	0.7
312.32602	38.6
313.32962	0.8
346.27005	0.4
356.35275	2.9
374.26678	5.9
374.36279	100.0
375.36758	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.165
Annotation	Dihydrosyringin
Peak:m/z	Relative Intensity
53.03951	0.9
55.01865	1.3
56.05030	0.5
56.96558	0.9
57.03422	2.2
61.02919	1.4
63.45260	0.5
65.09415	0.6
66.70512	0.5
67.05495	0.7
69.03436	6.0
69.07060	1.3
70.06570	1.3
70.80193	0.5
71.04986	0.7
71.16225	1.1
72.08144	0.9
73.02905	1.3
73.49041	0.5
79.05496	1.9
81.03423	3.5
81.07060	1.6
82.06552	0.6
83.04973	0.5
84.04497	0.6
84.08141	4.8
84.96020	0.7
85.02906	17.5
86.03214	0.6
86.09718	3.2
87.04457	0.7
91.03960	0.7
91.05471	9.3
93.07035	4.9
95.04945	0.7
95.08554	0.9
97.02899	4.6
98.97575	3.8
99.04428	1.2
105.07038	8.5
107.08596	13.0
109.02856	2.1
109.06477	0.7
109.10149	0.9
110.97555	0.6
116.98615	1.3
117.06968	0.5
119.08579	23.9
121.06487	0.6
121.10145	7.1
123.08089	1.4
127.03912	5.4
127.07531	0.5
128.98579	0.8
129.07036	0.9
129.10243	1.2
130.08626	0.8
131.04918	0.9
131.08566	6.9
133.10112	2.4
135.08006	1.7
137.05991	2.6
145.02855	0.9
145.04953	2.2
146.03137	0.8
147.08049	8.7
147.11301	0.9
149.05981	0.7
149.09615	8.2
153.05409	0.9
158.99612	0.6
159.08049	2.2
165.09128	9.7
167.06996	0.6
167.10658	3.5
173.02872	0.5
177.05472	1.1
177.09102	6.8
178.05788	2.5
195.06569	0.9
195.10172	12.6
196.06894	2.0
199.04208	0.5
213.11212	100.0
219.01848	0.9
237.02817	1.3
268.19012	0.6
293.09146	1.3
328.84650	0.5
331.13596	1.7
343.10028	3.8
375.12347	7.2
375.16327	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	375.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.2
62.73115	0.5
64.46889	0.6
67.05515	2.0
69.07082	0.7
70.00216	0.7
71.05002	0.8
71.57275	0.8
73.29369	0.5
79.05506	2.0
81.07053	1.1
83.08630	1.4
86.09740	0.6
91.05502	1.6
93.07054	2.4
95.04986	1.0
95.08604	1.8
103.00658	1.3
105.07050	1.4
107.08586	1.2
109.10148	0.7
115.11269	0.7
117.07056	0.7
119.01957	0.7
119.08606	1.3
120.08989	0.6
121.01674	3.6
121.10123	0.9
131.08633	1.3
133.10176	1.0
135.03249	1.6
139.02754	1.2
276.20615	0.8
325.05682	0.6
375.25278	100.0
375.36783	3.2
376.25549	2.8
393.23520	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
67.05503	2.0
69.07078	1.3
71.57123	1.4
71.57511	0.9
76.45993	0.7
79.05496	1.5
81.07050	2.4
82.32802	0.8
83.08612	2.1
91.05499	1.4
93.07046	1.5
93.84338	0.7
95.08620	2.4
97.49413	0.8
105.07034	1.4
107.08569	0.8
109.10106	1.8
112.24284	0.7
116.14234	0.7
118.36417	0.8
119.08521	1.0
121.10161	0.8
133.10153	1.6
134.10478	1.1
137.05937	1.2
138.06305	0.9
145.10124	1.1
276.20291	1.4
277.17722	1.3
313.33032	0.8
317.44946	0.8
329.20920	9.6
375.21393	7.1
375.25137	100.0
376.25491	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19026	2.5
53.03938	8.7
55.05509	12.6
57.07075	3.3
65.03909	3.6
67.05505	30.3
69.07079	14.1
70.86824	5.7
71.05003	3.1
79.05499	31.9
81.03432	3.2
81.07062	47.0
83.04968	3.2
83.08614	4.2
91.04974	4.5
91.05487	50.5
93.06477	4.5
93.07050	72.1
95.04974	36.0
95.08614	41.7
97.06508	7.5
105.07042	100.0
107.08601	47.1
109.06513	10.3
109.10162	18.8
115.05433	4.3
117.07035	16.2
119.07800	5.1
119.08591	75.5
121.06512	9.5
121.10150	62.7
123.08071	8.5
123.11693	5.1
128.06210	7.4
129.07040	13.0
130.07774	8.0
131.08582	37.8
132.09476	3.2
133.10132	44.4
135.11710	19.7
137.05978	4.0
141.07018	5.2
142.07777	15.0
143.08569	31.6
144.09361	6.0
145.10138	55.0
147.11710	18.2
155.08530	11.1
155.61703	2.6
156.09317	3.7
157.10155	38.3
158.10867	6.7
159.07930	3.7
159.11713	29.3
161.09590	14.4
165.07030	3.1
167.08594	5.7
169.10126	9.7
170.10931	3.9
171.11688	15.9
173.13290	14.3
175.11180	8.2
175.14836	7.8
179.08577	5.0
181.10135	8.7
182.10901	6.8
183.11705	6.9
185.13232	7.1
187.11211	3.1
187.14857	12.7
193.10107	4.7
194.10878	4.7
195.11700	10.8
197.13266	9.3
199.14819	7.8
201.16347	7.2
207.11719	3.4
209.13203	9.1
211.14825	7.3
213.16512	3.7
221.13240	4.5
223.14915	4.9
224.92538	3.3
235.14755	3.2
237.16428	3.7
243.11913	2.8
253.15845	5.8
265.19507	4.6
267.21252	3.6
277.19278	3.0
319.20609	3.0
357.25940	3.6
375.26306	22.5
375.31360	15.7
375.35211	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	374.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06264	2.8
55.01873	5.7
55.05512	29.1
56.96561	5.6
59.04983	4.9
64.51785	2.5
65.03930	3.0
67.05508	54.5
69.03426	3.8
69.07072	29.7
69.82845	12.7
70.39440	3.0
71.04597	4.9
71.04996	100.0
79.05499	40.2
81.03403	2.9
81.07059	71.5
83.04978	5.3
83.08623	23.1
85.06539	11.3
86.64616	2.4
86.86156	2.8
91.05478	26.7
93.07049	47.7
95.04968	5.6
95.08628	30.0
97.06541	16.5
97.10176	27.4
98.20696	2.7
98.75671	2.6
99.08105	4.8
105.07016	22.1
107.04957	7.0
107.08599	46.7
109.06539	7.5
109.10154	33.9
111.08094	4.8
115.07590	4.9
117.07003	10.5
119.08573	17.7
121.10155	14.8
125.09641	27.6
131.08572	14.0
133.10109	23.6
133.59897	2.9
135.08060	9.8
135.11694	23.0
137.05984	16.6
138.06396	6.6
143.08629	3.5
145.10117	7.8
147.11694	9.1
149.09648	9.5
149.13243	13.0
151.11119	3.2
153.09128	8.2
153.12770	3.2
155.10681	12.7
159.11678	31.4
161.13216	4.2
163.11223	6.2
173.11734	36.5
173.13161	4.7
177.12755	34.2
187.13306	34.6
191.14316	3.4
193.12233	3.2
201.84607	3.3
203.12798	25.2
209.15436	12.9
239.17879	5.6
241.17995	76.3
247.20551	3.9
257.19019	12.8
275.20090	48.9
289.21640	19.7
307.22766	12.2
321.24039	5.4
333.17609	11.6
349.49341	3.7
351.18460	18.5
374.19543	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40000	1.0
53.28881	0.9
55.01866	2.3
55.05516	15.1
56.05038	6.6
57.03433	1.9
57.07071	7.0
58.06583	3.3
65.68718	1.2
67.05182	1.3
67.05509	20.1
69.03432	2.8
69.07064	5.2
69.68250	3.7
70.06581	4.3
71.04978	2.6
71.08633	5.0
73.02913	2.2
74.06084	7.8
79.05492	5.8
81.03407	4.2
81.07052	10.2
83.04983	2.7
83.08623	8.9
85.02894	5.1
85.06533	1.2
85.10188	1.8
86.06061	1.1
87.04450	3.2
88.07635	32.0
91.05485	5.8
93.07054	5.8
93.07536	1.1
95.04968	2.2
95.08608	6.5
97.02866	1.3
97.06542	2.4
97.10163	11.6
98.09676	1.3
98.21530	1.0
102.09167	4.0
105.07005	3.9
107.08607	5.2
109.06516	2.4
109.09483	1.1
109.10171	18.2
117.07017	1.5
118.08648	3.5
119.08553	5.0
121.10143	2.6
122.08129	2.4
123.08046	1.2
125.09629	11.1
131.08585	2.0
133.10109	1.8
135.11708	2.8
135.40230	0.9
137.05988	12.3
137.09639	4.5
138.06316	7.5
143.10704	1.1
145.10147	3.8
149.09554	1.5
151.07512	1.2
151.11212	1.6
152.07866	1.4
153.12778	1.5
155.10674	3.3
157.10159	1.5
163.11192	3.3
173.09573	1.1
173.11743	18.4
175.11168	1.6
177.09090	1.2
187.13266	2.5
187.70651	1.2
189.17009	1.1
191.10732	1.1
193.12219	3.5
209.11751	2.9
247.51369	1.0
306.12070	1.8
307.22720	1.4
312.32614	14.6
326.34158	18.7
356.35184	3.3
374.36285	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.8
55.01872	6.5
55.05511	38.4
55.10019	4.7
59.04983	7.3
61.50751	4.0
67.05164	7.5
67.05503	85.9
69.07069	40.3
69.76656	25.2
71.04994	100.0
79.05498	57.8
81.07059	63.5
83.08624	21.7
85.06527	12.8
91.05473	30.3
93.07042	57.7
95.04943	13.6
95.08611	38.0
97.06526	19.6
97.10201	27.8
98.20807	5.9
99.08080	6.2
105.07045	25.8
107.04951	7.8
107.08599	52.3
109.06462	6.2
109.10159	48.7
111.08105	7.0
113.00771	4.8
115.07533	4.9
117.07014	16.5
119.08572	19.7
121.10146	19.6
125.09610	22.7
131.08569	17.8
133.10114	19.7
135.08049	8.0
135.11673	25.4
137.05960	8.0
137.09662	8.3
138.06311	6.7
145.10121	10.8
147.11694	10.4
149.09625	10.3
149.13255	16.0
151.53696	4.1
153.12718	8.8
155.10643	18.3
159.11691	36.7
161.13229	6.4
163.11067	5.3
173.11736	38.8
173.13080	9.1
177.12709	28.9
187.13310	54.8
203.12791	27.8
209.15341	18.2
233.49373	4.3
239.17943	6.0
241.17999	80.9
241.93347	4.2
257.19000	7.1
275.20050	39.5
289.21704	23.6
307.22687	10.7
321.24139	14.9
330.80991	4.7
351.19992	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	374.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28341	1.0
53.03942	2.5
55.05507	6.1
56.05023	1.0
56.96560	2.4
57.03435	4.2
67.05508	8.6
68.04672	2.0
68.05029	29.2
69.03433	10.8
69.07059	3.8
70.06586	3.3
71.04993	2.5
71.56271	1.7
73.70621	1.1
79.05487	6.1
80.05022	20.9
81.03425	9.3
81.07050	6.4
82.03767	1.4
82.06577	6.5
83.04982	3.7
83.08642	5.0
84.04488	1.0
84.08161	1.6
85.02902	4.7
86.09715	2.9
88.07632	3.3
90.08846	0.9
91.04977	1.1
91.05472	6.3
93.07062	4.8
94.06582	3.7
95.04980	4.0
95.08611	8.5
96.04486	2.5
96.08132	3.0
97.02892	1.8
97.06537	37.0
97.10165	4.1
98.97558	3.0
105.07034	3.8
106.06548	1.8
107.04978	2.8
107.08609	4.0
108.04500	1.4
108.08122	1.8
109.02849	1.7
109.06550	2.6
109.10146	4.4
110.09686	57.7
110.97545	1.7
111.08092	1.6
111.09907	0.9
114.09202	1.6
114.12358	1.0
116.98605	1.2
117.06994	2.0
118.06518	0.9
119.08576	2.7
120.08125	5.0
121.06541	1.5
121.10143	2.3
122.03754	1.1
122.09706	1.3
123.08104	2.5
124.07600	1.1
125.09647	3.4
127.03913	3.0
131.07434	0.9
131.08595	2.7
132.08090	1.8
133.10139	2.1
134.09651	1.4
135.08078	1.2
136.11176	1.5
137.05994	12.7
137.09662	1.1
138.05420	1.9
138.06326	6.6
138.09146	48.3
138.12784	1.0
147.08038	1.3
147.11749	1.5
148.07504	1.2
149.02368	4.3
149.05965	0.9
149.09581	1.7
150.09140	1.4
151.03879	1.7
151.07585	1.7
151.11206	1.1
157.10136	2.4
158.99678	1.2
166.12242	1.1
173.11954	1.2
177.09154	1.2
178.15825	1.3
184.13350	3.4
188.14337	3.5
193.12206	5.0
194.11852	1.1
197.13165	1.2
198.12907	1.0
206.15408	15.0
210.14975	1.8
211.13286	5.4
216.13896	2.6
219.01709	1.2
220.17050	1.6
223.13257	1.1
224.16507	4.4
230.14728	1.3
234.14879	20.2
239.16371	2.7
248.12701	1.0
252.15814	1.9
262.18103	1.0
277.18063	1.6
288.19641	4.5
306.20630	20.0
307.10773	1.7
313.07077	1.4
324.21692	100.0
325.22055	1.9
338.14795	1.1
342.22775	63.7
343.22903	1.1
356.12204	1.3
356.17191	1.5
356.24405	9.0
374.14050	2.6
374.19217	9.2
374.25244	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	374.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.7
56.05036	11.2
56.13118	0.8
57.03425	1.7
57.05814	1.0
58.06604	3.9
64.09587	0.8
69.52573	5.2
69.52972	1.8
72.08156	46.5
74.06078	100.0
79.05517	1.0
81.03413	0.9
81.07043	1.6
84.04510	2.4
86.09217	1.4
86.09706	20.7
91.05495	1.4
95.08614	1.2
97.06510	1.6
101.07141	2.0
106.42937	0.9
107.08604	1.1
114.09167	29.5
119.08620	0.9
124.11219	1.0
131.69360	0.9
132.10196	14.7
134.35497	0.7
137.05968	2.2
138.06345	1.1
141.13870	2.0
142.08636	9.1
158.94609	0.8
169.13348	2.5
177.09091	3.0
187.14433	6.5
197.12921	1.6
212.17279	1.0
215.13918	8.6
225.12347	2.1
233.14958	56.3
243.13390	9.9
310.21204	3.4
338.20557	1.3
356.21759	14.2
374.19543	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96494	17.8
56.96807	2.3
57.07011	0.4
60.63858	0.3
70.06511	1.2
70.06873	0.4
70.77444	0.4
70.87096	0.7
70.87457	1.0
71.95177	2.1
72.95962	1.3
72.96339	0.4
74.22057	0.4
84.95940	1.1
84.96399	0.4
86.09653	0.8
88.07617	2.3
91.42255	0.4
97.96766	0.7
98.97527	0.5
102.09195	1.7
105.00085	1.4
110.97569	3.9
114.72314	0.4
115.00670	0.8
119.01664	0.5
123.01108	1.2
125.17309	0.4
127.00603	0.6
128.98611	3.2
137.02686	1.0
137.05981	4.0
138.06334	2.7
141.02173	0.7
143.00127	0.7
146.99626	0.8
151.00613	0.9
153.02190	0.8
155.03735	0.9
157.01701	0.5
159.03333	0.7
160.04260	0.4
161.01163	0.4
165.02159	0.5
167.03726	0.5
169.01648	0.7
169.05209	0.5
171.03232	1.2
171.06844	1.4
175.06335	0.5
181.05330	0.5
183.03311	0.6
185.04860	2.2
189.08009	3.0
191.07387	0.4
193.05305	0.7
195.06833	0.6
197.04753	0.8
197.08430	0.5
199.06386	1.7
201.07945	0.5
203.05809	1.5
205.09042	0.7
207.06880	0.9
207.08878	0.8
209.08578	0.6
211.06367	1.2
213.07965	0.8
215.05861	0.6
217.05383	0.6
217.07410	1.0
218.86284	0.4
219.06870	0.9
221.08496	0.6
223.10161	0.6
225.07982	2.9
229.07329	0.6
231.08899	0.6
235.06516	0.7
235.09993	0.6
237.08032	3.8
239.09663	2.1
241.11063	0.5
243.08942	1.1
251.09465	1.5
253.07608	0.4
253.11047	1.1
255.09048	1.8
257.10541	0.7
271.12317	0.5
277.10870	0.5
281.10464	0.7
306.12009	0.7
307.19519	0.5
312.32584	4.6
315.16458	1.8
333.17334	38.6
334.17725	0.7
351.18414	100.0
352.18658	2.3
367.79596	0.4
369.19489	23.7
370.19882	0.4
374.20026	17.3
374.31491	0.6
374.36243	10.8
375.20660	0.6
392.21155	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80210	1.6
53.03936	2.0
55.05499	4.3
58.99850	2.4
66.05662	2.0
67.05494	6.4
69.07064	13.8
77.00900	9.6
79.05505	9.7
81.07044	7.9
91.05479	6.7
93.07062	4.4
95.01937	4.4
95.04958	2.2
95.08607	3.6
97.06516	6.6
97.10161	2.6
100.02501	1.9
100.90542	1.7
105.07018	4.2
107.08566	5.9
109.10152	2.9
119.08542	1.9
121.10113	4.4
122.03695	2.8
133.10117	2.6
137.05980	32.2
138.06322	18.5
143.08508	1.9
145.10158	1.6
151.07584	2.1
155.05656	2.3
155.85800	1.9
169.07074	2.1
178.09444	1.8
179.59265	2.1
183.08698	6.2
187.08093	3.2
194.04056	2.1
195.08582	2.0
199.08163	2.0
201.09729	26.5
201.12675	1.8
207.05006	5.8
213.09799	4.4
215.11061	4.9
219.10820	6.6
221.06662	2.0
221.10208	3.9
223.11810	1.8
224.11349	2.4
225.06279	2.9
227.11249	11.2
235.11703	3.7
237.20016	1.9
239.11284	36.5
241.12703	2.2
245.12329	10.5
253.12926	3.9
257.12344	50.8
262.12820	6.3
264.12079	4.3
265.12689	2.7
269.12323	4.0
279.14120	1.8
280.14017	3.0
287.18439	2.2
291.14468	2.7
305.19714	3.9
309.15457	5.3
315.18045	22.4
333.19113	100.0
336.14029	1.8
342.17001	6.3
351.20248	66.6
356.20673	7.9
374.22205	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	374.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
65.67946	0.2
69.03399	0.3
69.37679	2.2
70.06590	0.3
75.19225	0.2
75.95399	0.2
81.07030	0.3
98.98465	2.1
117.26014	0.3
118.06561	4.1
118.07359	0.5
120.08051	0.3
121.06503	0.2
125.00004	8.2
131.08490	0.4
132.08029	1.1
133.08813	0.4
133.10097	0.5
137.05943	0.7
138.06256	0.4
144.08069	6.5
146.09662	1.6
158.09627	3.1
159.10406	0.9
160.11099	0.5
162.09151	2.3
172.11232	2.3
176.10770	1.6
176.14345	18.3
177.11409	0.7
190.12291	1.3
202.15906	42.7
203.16258	0.3
220.16963	100.0
221.17290	0.9
237.16792	0.3
240.12144	0.3
254.10274	0.3
279.04233	0.3
296.28455	0.3
300.13599	9.4
314.11996	1.3
362.90884	0.3
374.17487	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	374.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08563	0.7
55.71076	0.5
56.96304	1.1
56.96568	19.4
57.35830	0.6
68.60288	0.7
68.74446	0.6
71.95263	4.6
72.96043	0.8
74.97599	0.9
81.07079	0.8
84.96024	2.6
97.96806	2.8
98.97572	1.8
103.72066	0.7
105.00185	1.1
110.97575	15.5
115.97852	1.7
116.98536	0.7
124.99140	1.0
128.98619	13.2
137.02754	1.2
137.05948	1.8
143.00183	2.6
146.99673	4.2
152.00214	1.0
158.48608	0.7
161.01213	1.3
171.03290	2.0
185.04831	1.7
189.04350	0.9
203.05824	1.2
227.09479	0.8
241.11096	2.8
245.08467	1.4
259.12210	1.5
263.09497	5.3
264.10464	1.0
265.11099	1.2
277.11157	1.2
281.10648	1.0
303.12625	1.9
313.14679	1.4
315.16296	53.9
316.16766	1.3
318.71729	0.8
331.15811	2.5
333.17368	100.0
334.17722	1.1
341.72488	0.7
351.18436	33.5
356.19003	14.5
374.20062	4.1
374.24222	0.8
374.36279	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	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
57.03453	1.1
61.02912	1.9
69.03432	4.3
69.61429	1.4
69.61836	1.9
73.02934	0.6
81.03410	2.3
85.02911	17.2
87.04437	0.6
89.03917	4.2
91.03934	1.4
91.05474	1.0
97.02889	4.7
98.21471	1.1
98.97588	0.6
99.04438	1.2
107.08596	0.6
109.02880	1.1
117.03382	14.9
121.92061	0.6
125.06049	0.6
127.03914	2.4
134.03593	1.4
135.04369	1.5
138.06375	0.6
145.02852	40.8
145.04965	4.6
149.06003	7.4
152.07079	2.2
153.05389	1.2
162.03082	0.6
163.03937	2.6
177.05476	100.0
178.05829	1.3
180.08659	1.3
194.08148	2.1
195.06538	55.6
196.06935	0.7
212.09274	0.7
397.70551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01862	2.7
57.03426	3.4
61.02919	3.6
64.02817	1.0
65.03939	2.0
68.10792	1.2
69.03433	15.6
70.81291	2.4
70.81667	2.3
71.04970	1.2
71.39231	1.0
73.02895	4.0
81.03413	10.0
84.04472	2.7
84.08170	1.1
85.02908	46.9
86.09707	9.3
87.00834	18.8
91.05483	100.0
92.05840	1.4
97.02895	14.4
99.04437	7.9
105.01866	29.9
105.07030	3.0
108.04483	1.6
109.02895	12.2
126.05523	1.7
127.03919	31.9
129.01837	1.4
129.06967	1.1
132.10167	2.7
133.06532	1.5
137.05969	2.3
145.04955	17.1
145.06277	1.5
145.06470	1.5
147.02795	1.4
159.02887	6.1
171.07983	1.7
175.07570	1.8
189.03944	2.5
195.06516	2.3
199.07465	1.6
213.03941	1.6
215.13962	3.0
217.08589	1.7
231.04959	10.0
243.13303	2.1
249.06041	4.1
290.87164	1.1
321.09659	1.5
339.10458	1.4
360.96902	1.2
374.14746	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.01874	0.7
57.03437	1.6
61.02930	2.6
69.03431	5.2
69.03777	0.6
70.06582	0.7
70.94917	0.7
70.95260	0.5
71.04982	0.5
73.02911	0.7
79.23280	0.4
81.03420	1.9
81.93140	0.3
84.04531	0.4
84.08135	0.7
85.02909	16.2
87.04451	0.7
89.03915	3.4
91.03962	1.5
91.05483	0.7
93.07043	0.6
97.02891	5.5
99.04446	0.7
101.77506	0.4
109.02872	1.5
117.03387	15.3
121.06509	0.4
125.05960	0.4
127.03905	2.5
134.03658	1.4
135.04437	1.1
137.05969	0.9
144.17929	0.4
145.02850	40.0
145.04962	3.9
149.05978	7.1
151.07471	0.4
152.07074	1.5
153.05467	1.2
162.03162	1.0
163.03937	2.9
177.05476	100.0
178.05791	0.5
180.08670	1.2
186.05576	0.8
194.08118	2.3
195.06538	50.6
199.14790	0.4
207.04533	0.4
212.09181	0.7
215.75189	0.4
352.36075	0.4
356.12408	0.5
374.18600	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1835
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
56.96556	0.6
57.03444	0.4
69.03419	0.8
70.33219	1.2
70.58911	0.4
71.40787	0.4
81.07047	0.6
84.08161	1.9
85.02892	1.7
86.09699	0.7
93.07073	0.4
94.32540	0.4
97.02887	0.5
98.97592	1.7
107.08582	0.4
116.98602	0.6
117.03338	0.5
118.42511	0.4
127.03954	0.5
129.10252	0.5
137.05981	5.4
143.45007	0.4
145.02850	1.1
145.04936	0.5
149.05963	0.6
151.07555	0.9
177.05492	2.8
185.04803	0.5
193.12012	3.3
194.08109	0.6
194.16335	0.4
195.06424	1.1
195.07956	1.0
195.13579	5.7
198.03757	0.5
201.03712	6.6
203.05286	9.3
246.08005	0.4
251.02379	0.7
253.12790	2.1
269.03378	0.6
271.13931	0.6
352.84015	0.4
373.18350	100.0
374.18652	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.05498	2.0
56.32549	0.9
65.44565	1.0
66.70489	1.0
67.05487	4.2
69.07056	2.7
71.57132	1.0
79.05478	2.7
81.03432	1.1
81.07036	4.2
83.04993	1.0
83.08626	1.4
85.54936	0.9
91.05452	4.0
93.07012	2.6
94.04168	1.9
95.08586	3.2
105.07020	3.2
107.04937	2.8
107.08604	2.1
109.06516	1.2
109.10153	1.5
117.07007	1.5
117.71912	0.9
119.08572	2.9
121.06482	4.0
122.03663	7.6
129.07018	1.4
131.08554	1.4
133.10126	2.2
137.05984	100.0
145.10143	1.4
146.07179	1.1
147.08008	1.8
149.05978	3.8
151.07539	9.8
157.10106	1.3
159.11656	1.1
165.05482	1.4
175.11162	1.2
177.05463	2.3
177.09114	9.0
177.12791	1.4
189.09120	1.3
198.45941	0.9
201.08974	1.4
205.12086	1.0
211.14850	1.0
219.10228	1.0
237.11243	2.2
245.09697	1.1
258.16904	1.0
263.10559	1.7
273.09116	1.6
274.09756	1.0
277.12280	1.3
295.13229	2.4
305.11734	9.9
317.48245	1.0
323.12668	2.8
337.14261	3.0
355.15408	2.3
355.22369	20.1
355.26462	6.1
355.29950	1.3
373.23425	40.9
373.27237	1.9
373.31247	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	372.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.9
55.01849	9.0
55.05511	45.6
57.03433	7.5
57.07081	8.7
58.01702	6.0
63.45741	6.0
67.05509	77.5
69.03413	9.5
69.07072	45.9
70.61705	16.5
71.08633	29.3
73.85748	5.6
79.05495	58.8
81.07060	100.0
83.04983	18.0
83.08615	26.5
87.04458	18.0
91.05478	33.9
91.44783	6.6
93.07050	74.3
95.04985	16.1
95.08595	73.5
97.06505	20.7
97.10184	13.9
99.08094	31.1
105.07021	22.8
107.08621	42.7
109.06543	7.0
109.10146	31.9
111.08061	8.8
119.08575	33.5
120.37582	5.6
121.10142	35.8
123.11691	10.9
131.08545	10.6
133.10112	23.1
135.11729	29.7
137.05988	84.5
137.09607	8.5
139.11185	50.0
145.10155	16.6
147.11626	12.1
149.13264	18.2
151.07553	14.5
151.11188	9.7
159.11650	10.7
161.13219	12.2
163.14854	15.2
175.14726	7.5
187.14749	11.8
205.15974	7.4
221.15239	14.7
223.16953	19.9
277.21671	14.4
287.23557	8.5
305.11722	10.0
305.24731	97.0
307.76599	6.5
319.26431	12.3
337.27353	18.8
372.31070	13.6
373.23477	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81133	0.3
55.01870	0.5
56.96560	0.7
67.05493	0.5
69.02802	0.2
69.03428	0.8
69.07061	0.6
70.06580	1.0
71.04994	0.5
71.55927	0.4
72.08150	0.4
76.49027	0.3
79.05467	0.5
81.03419	0.8
81.07043	0.6
84.08120	0.7
85.02890	1.2
86.06055	0.3
86.09707	3.1
91.05483	1.1
93.07025	0.4
94.04170	0.7
97.02890	0.4
97.06550	0.3
98.97594	2.7
99.04417	0.3
105.07009	0.4
107.04930	0.7
107.08562	0.3
108.04462	1.2
110.97577	0.5
112.99153	0.3
115.05403	0.4
116.07082	0.7
116.98618	0.7
117.07014	0.4
118.62586	0.2
119.04918	0.8
119.08566	0.3
120.08090	0.3
121.06545	0.8
122.03660	1.3
127.00600	0.3
130.06577	0.5
131.00175	0.3
131.04955	0.3
133.06502	0.3
133.10150	0.4
134.99681	0.4
137.05972	17.9
138.06342	0.6
145.06548	0.3
146.06012	0.8
146.07227	0.5
147.04391	0.5
149.05943	0.5
150.06693	0.3
151.07529	1.8
158.99669	0.7
159.09225	0.5
161.06050	0.5
162.05438	0.3
165.05583	0.3
167.07104	0.4
168.06544	1.1
173.05992	0.6
175.07582	0.4
177.00696	0.6
177.05557	0.3
177.09135	1.1
189.12387	0.5
191.02315	0.3
192.06653	0.3
193.12192	0.3
194.07402	0.3
201.05460	2.9
206.08080	0.8
211.13148	0.6
213.10046	0.3
219.01816	0.7
219.06514	0.5
234.06830	0.5
237.02737	0.5
237.11282	0.5
244.99838	0.3
265.08112	0.4
280.83667	0.3
305.08728	1.3
305.11774	1.1
307.09650	0.6
325.10767	1.0
337.14410	0.8
347.09998	0.5
355.11755	0.3
355.15994	0.4
373.18320	100.0
374.18716	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	46.5
56.96564	26.3
57.07066	7.7
57.08877	5.0
67.05511	21.7
69.03429	7.6
69.07057	27.2
69.79970	30.5
71.04985	8.0
71.08640	9.0
79.05489	33.9
81.03401	15.0
81.07050	35.4
83.08615	32.5
85.02905	7.1
87.04474	21.3
88.07627	16.1
91.05460	12.5
93.07034	20.7
95.04965	6.6
95.08594	22.8
97.06556	7.0
97.10170	52.1
102.33138	5.6
105.07053	11.6
107.04949	7.9
107.08585	21.8
109.10174	10.5
119.08580	10.4
121.10175	12.8
122.03668	7.1
123.08092	10.7
123.11787	6.9
125.09642	44.7
126.66746	4.7
128.98654	6.4
133.10182	8.0
135.08107	12.4
137.05981	100.0
146.07309	5.6
149.09598	7.3
151.07545	7.9
152.42426	6.2
157.10265	6.0
175.11195	5.9
193.12253	42.8
203.12724	32.3
211.06412	6.2
225.14810	39.9
229.07445	5.0
234.14763	5.2
273.18628	7.3
291.19516	21.4
305.11511	12.0
305.21100	13.0
319.29938	7.0
324.32477	6.6
331.15811	64.2
349.16843	61.8
354.33978	6.8
372.18338	19.8
372.30801	6.6
372.34918	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.4
55.01873	7.0
55.05515	47.9
57.03432	5.2
58.99759	3.9
59.04989	5.0
67.05509	85.5
69.03444	9.9
69.03780	3.9
69.07085	20.8
71.04695	4.1
71.05005	39.6
71.56799	6.1
75.86832	3.9
76.83933	4.1
79.05486	33.2
81.03411	28.4
81.07066	57.6
82.63487	4.9
83.04983	15.3
83.08621	38.8
85.06530	12.8
87.04490	8.9
91.05482	69.7
93.07051	52.4
95.04986	26.3
95.08615	66.0
97.06514	10.6
97.10173	29.7
99.08111	5.1
105.07034	30.3
107.04898	8.1
107.08591	27.2
109.06541	11.1
109.10162	61.0
111.04430	5.9
111.08057	16.1
117.07027	11.0
118.51057	5.0
119.08591	55.0
121.06504	10.2
121.10137	9.8
122.03623	10.9
123.08094	17.0
123.11732	7.1
125.09617	23.2
129.06993	7.9
131.08572	10.9
133.10135	78.4
135.08089	12.2
135.11690	5.9
137.05013	7.6
137.05995	100.0
137.09618	97.3
141.58405	5.0
143.08533	6.6
146.07300	5.8
147.07988	5.8
147.11665	10.4
149.09613	10.0
151.07620	9.7
151.11203	24.0
153.09071	5.2
153.12738	4.2
155.10616	5.6
157.10121	10.4
159.11661	7.7
161.09650	20.0
163.11185	8.6
167.37144	4.7
169.12283	34.9
175.11194	14.6
177.09114	7.4
179.10698	43.8
183.13786	10.1
183.96614	4.8
187.13301	8.5
191.10754	5.9
193.12236	62.1
195.13554	4.7
201.14851	68.3
203.12799	17.0
211.13260	16.9
225.14876	52.7
273.18555	18.1
283.26279	18.6
291.19498	26.9
295.13208	5.1
305.11630	10.6
305.21075	18.7
323.22043	9.4
337.14182	6.6
338.24924	4.5
361.18091	4.6
372.34958	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	372.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69110	2.0
51.78607	2.0
53.03942	3.6
55.01863	5.0
55.05505	17.8
57.03431	4.9
57.07072	3.3
67.05505	59.8
69.03426	11.4
69.07064	13.5
69.33392	16.2
71.04996	46.2
73.06537	3.5
79.05495	18.6
81.03421	3.9
81.07065	28.8
83.04964	9.2
83.08611	11.3
85.06524	7.8
87.04462	22.8
91.05486	62.1
92.45383	2.0
93.07044	51.0
95.04992	11.0
95.08614	65.2
97.06518	6.6
105.07044	23.0
107.04963	2.7
107.08618	16.5
109.06507	8.0
109.10159	67.4
111.04417	3.8
111.08061	9.1
113.05992	2.4
117.07003	9.3
119.08585	56.9
121.06504	6.9
121.10156	3.5
123.08078	5.1
123.11683	3.0
129.06982	2.3
131.08569	7.5
133.06499	2.9
133.10135	86.6
135.08049	7.6
135.11703	5.7
137.05023	2.7
137.05997	31.4
137.09624	100.0
139.07539	7.6
143.08568	9.6
147.11691	4.0
149.09650	4.2
151.07587	4.4
151.11171	28.0
151.17307	2.1
153.12782	2.5
155.10632	3.2
157.10107	4.6
159.11739	2.8
161.09612	28.1
165.09187	2.1
168.18236	2.5
169.12256	37.4
175.11188	5.6
175.49722	2.0
176.19940	2.1
177.00218	2.1
177.09108	3.9
179.10677	55.8
183.13802	7.6
187.13266	5.4
189.12779	3.1
193.12247	5.7
197.11725	3.3
201.14868	62.8
211.13289	13.7
227.17796	3.2
255.17581	4.5
273.18524	10.6
291.19562	19.5
305.21109	7.7
323.22113	11.3
369.82367	2.4
372.30896	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	372.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45930	0.8
50.58938	0.7
54.59343	0.9
55.05509	1.5
56.96556	2.6
57.03431	1.3
58.99857	2.0
61.02909	1.3
67.05505	5.5
69.02706	0.8
69.07051	2.1
69.59713	2.0
69.60123	2.7
70.83684	0.8
71.04978	1.0
77.00909	9.8
79.05489	3.4
81.03402	2.2
81.07050	4.4
83.04939	1.1
83.08610	2.1
91.05463	3.8
93.07024	3.7
95.01953	8.5
95.04942	2.0
95.08609	2.3
97.06523	1.6
97.10144	1.2
98.21339	2.3
105.07023	4.8
106.39251	0.9
107.04957	1.4
107.08573	2.9
109.06533	2.6
109.10136	1.5
111.08067	1.1
117.07022	1.6
119.08556	1.8
121.10155	1.1
122.03676	1.0
123.08096	1.9
123.11691	1.2
125.04407	0.9
129.06967	1.9
131.01863	0.9
131.08574	3.9
135.08020	1.3
137.05984	10.6
143.08542	2.4
145.10135	1.7
146.39374	1.1
151.07520	1.1
153.05540	0.8
157.10106	2.8
165.07608	0.9
169.07014	1.0
169.10080	1.5
171.05054	1.4
171.11691	1.3
173.06578	2.6
177.07664	1.3
179.09143	1.0
181.07024	1.2
185.06537	1.9
187.08099	2.8
189.06097	0.9
189.07637	1.8
191.09195	0.9
195.08588	1.2
197.06595	1.0
199.08138	2.6
201.07837	0.8
201.09697	3.4
203.09187	2.6
205.07266	0.9
205.09103	1.8
205.10745	1.2
207.08730	1.2
209.10260	3.6
211.08128	1.2
213.09729	2.1
215.09357	1.3
215.11258	0.9
217.10715	3.4
217.88510	0.9
219.10576	1.3
219.12413	1.1
221.10164	4.5
223.08212	1.5
225.09695	1.5
227.11230	7.6
229.10747	1.5
230.95099	1.0
231.08514	1.0
231.12289	1.3
235.11800	2.7
237.13388	4.3
239.11317	4.5
241.12888	1.8
247.11847	2.7
250.12971	0.9
253.12730	2.1
253.94894	1.2
255.14540	5.0
259.11856	2.4
261.13284	1.0
265.12866	1.5
267.09088	1.8
273.13440	1.4
275.14844	1.4
278.16144	1.0
281.13504	1.1
285.10068	1.4
285.17050	1.3
286.10553	1.0
295.15424	2.7
299.11517	1.5
301.16415	1.1
303.18393	1.0
305.11917	1.2
313.16476	26.2
331.17563	100.0
332.17844	3.3
346.65286	1.1
349.18634	88.3
350.18671	3.3
354.19089	6.9
367.19614	6.7
372.20346	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	372.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01830	0.4
55.05454	0.6
56.96511	7.7
56.96809	0.6
57.59893	0.3
67.05449	2.4
69.07030	0.6
71.04996	1.3
71.95205	0.9
74.97553	0.3
77.00853	0.3
79.05434	1.1
81.07059	2.0
83.08582	0.4
84.95995	0.4
85.06511	0.3
87.04420	0.3
91.05402	0.7
91.05944	0.3
93.06961	0.9
95.04895	1.2
95.05453	0.3
95.08607	2.6
97.06493	0.4
97.96760	0.4
98.97585	1.6
98.99767	0.4
99.08095	1.2
105.06932	0.8
107.04951	0.4
107.08586	1.2
109.06440	0.3
109.10056	0.3
110.97574	3.0
112.99057	0.7
116.98585	0.4
117.06968	0.4
119.08494	0.6
121.06419	0.4
121.10082	0.6
123.08054	1.4
124.99075	0.4
127.00665	0.3
127.07491	0.4
128.98599	2.5
129.06926	0.3
131.00082	1.0
131.08502	0.7
133.10052	0.3
135.11644	0.4
137.02689	0.4
137.05882	1.2
138.43553	0.3
139.00623	0.8
143.00090	0.8
145.10063	0.7
146.99585	1.1
147.08034	0.4
147.11629	0.4
149.09625	0.3
151.00595	0.3
151.07500	0.5
152.00154	0.3
153.02174	1.1
155.05376	0.3
155.10559	0.5
157.01677	0.6
157.10072	0.4
159.03296	0.3
159.11607	0.4
161.01198	0.4
163.11157	0.5
167.03796	1.3
169.01651	0.6
171.03328	1.8
173.04839	0.4
175.42026	0.3
177.04216	0.3
181.01682	0.5
181.05351	0.7
185.04881	3.6
186.01860	0.3
187.13205	0.9
189.04280	0.7
191.05798	0.4
193.05362	0.6
195.06960	0.4
197.04823	0.4
199.04716	0.5
199.06422	6.6
203.05914	2.8
205.01678	0.8
205.07382	0.7
207.03168	0.3
208.04031	0.3
208.06277	0.3
211.02745	0.3
211.06509	0.5
213.07869	0.5
217.05392	0.3
217.07475	4.5
219.03195	1.1
219.06937	0.4
221.08492	0.4
222.08000	0.4
223.02774	1.6
223.06372	0.8
223.08371	0.5
224.03363	0.3
225.04283	0.4
225.07964	0.5
226.05049	1.2
227.11456	0.3
229.07484	0.5
231.06862	0.8
237.04324	3.1
237.07863	0.6
239.05788	0.3
239.11337	0.5
240.08987	0.3
243.08867	0.4
245.19077	0.3
249.07979	0.7
251.05807	0.4
252.06575	0.5
253.11040	0.8
255.05467	0.5
255.17421	0.3
262.08643	1.7
267.08975	2.2
271.12048	0.7
273.18600	1.6
279.08884	0.8
280.09805	3.0
281.10455	0.7
285.09882	0.5
287.19772	0.3
289.14664	0.7
293.10501	0.3
297.10110	0.3
298.10742	1.1
305.21036	2.1
307.15796	1.8
313.16446	0.8
319.22699	0.4
330.17322	0.3
331.15598	28.0
332.16599	0.3
337.23535	0.4
349.16818	100.0
350.17236	1.0
367.17950	2.3
372.18430	14.8
373.18552	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	17.9
57.03447	11.5
57.07067	5.6
67.05508	48.5
69.07072	22.1
69.79211	7.8
69.79618	4.6
72.04523	26.4
72.33177	2.4
73.04762	19.6
73.18449	2.6
79.05495	16.0
81.06581	5.2
81.07061	100.0
83.08634	18.9
85.06548	5.7
87.53938	2.4
88.02225	42.8
88.07635	9.8
89.06045	3.9
90.17972	2.9
90.18581	2.1
91.05849	28.0
93.07036	18.6
95.08608	92.1
97.10172	13.5
98.20789	2.8
99.08076	3.9
105.07025	5.2
106.08656	12.8
107.08566	6.3
109.06595	2.8
109.10161	42.8
111.08064	3.4
111.11739	5.6
114.07378	9.6
119.08616	7.0
121.10138	11.8
123.11694	17.5
133.10115	6.2
135.11736	13.1
137.13242	3.8
145.10144	4.4
149.13272	3.4
154.25824	2.6
195.14969	3.9
196.07924	2.9
245.22609	2.7
263.23801	9.9
268.97964	8.8
279.22983	2.5
279.26941	2.5
283.03107	3.7
285.00998	19.8
299.27219	2.9
316.13699	11.0
317.28510	16.3
335.29474	84.6
343.30954	2.8
353.30423	5.3
355.07001	14.8
356.07495	3.2
371.16443	9.1
371.26242	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	371.2066
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03940	1.9
54.93978	0.9
55.01862	1.0
55.05510	4.7
56.96557	3.0
57.03419	2.7
57.07079	1.6
61.02909	3.3
67.05498	4.8
69.03129	1.0
69.03436	10.3
69.07057	5.3
70.06589	8.3
71.04993	7.1
71.55871	1.7
72.08139	2.2
73.02925	1.6
73.04754	2.1
75.71575	1.2
79.05496	4.2
81.03413	5.3
81.07051	10.5
83.04981	4.8
83.08621	7.1
83.41496	1.0
84.04534	1.2
84.08141	3.8
85.02428	1.9
85.02908	22.4
85.06538	2.2
86.09691	2.8
87.04456	1.5
91.05431	2.0
91.05886	1.3
93.07046	8.5
95.04971	100.0
95.08623	3.2
96.05277	1.2
97.02900	10.0
97.06527	4.3
98.97580	7.0
99.04455	28.0
101.03517	1.1
105.07025	3.5
107.04991	1.8
107.08594	9.6
109.02821	4.7
109.06522	6.6
109.10152	5.2
110.97565	1.2
111.04399	1.3
111.08094	3.9
112.08883	1.0
116.98612	2.1
117.06984	1.3
119.08591	2.9
120.08128	1.1
120.15936	1.0
121.02888	1.3
121.06535	1.6
121.10163	7.0
123.08055	1.4
123.11732	3.9
127.03912	6.9
128.98608	1.1
131.07034	1.9
131.08598	3.1
133.10129	9.0
135.04440	1.3
135.08083	3.6
135.11694	1.3
137.05972	3.6
137.09625	1.5
141.09012	1.2
145.04984	4.6
145.08665	1.2
145.10120	1.2
146.08931	2.1
147.04472	1.0
147.06543	1.0
147.08017	1.7
147.11726	1.5
149.09521	1.0
149.13271	5.8
151.11183	3.2
153.09106	34.5
155.03467	1.0
156.05640	1.2
158.99680	1.8
159.11763	1.5
163.03922	1.8
163.14847	2.2
164.07077	1.5
167.07050	3.6
167.14319	6.8
169.09808	1.4
173.13271	6.5
177.00760	1.7
177.05623	1.0
191.14323	8.3
193.04985	2.1
203.05479	1.1
205.07021	1.4
209.07816	1.4
209.15370	39.5
217.08658	3.2
219.01779	1.4
237.02776	2.5
251.11148	1.2
285.01056	1.3
353.14496	1.3
353.19666	1.5
355.06912	1.4
371.12973	5.7
371.16815	53.1
371.20404	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	371.2065
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03931	1.9
54.51628	0.6
55.01871	1.1
55.05497	2.7
56.96541	0.8
57.03427	2.3
57.07065	1.0
59.80790	0.7
61.02923	3.2
64.93299	0.7
65.03959	0.7
67.05499	3.0
69.03076	1.2
69.03426	11.4
69.07059	2.4
69.48553	1.5
69.48957	3.5
71.04987	3.3
73.02889	1.4
79.05478	2.2
81.03430	7.3
81.07065	5.6
83.04993	3.4
83.08600	1.6
84.08128	2.1
85.02908	30.7
85.06529	0.9
87.04455	1.5
91.03939	2.1
91.05482	3.3
93.07061	3.9
95.04973	3.6
95.08610	5.2
97.02898	8.8
97.06509	2.1
98.97565	2.9
99.04427	2.2
99.08124	1.2
103.05452	0.7
105.07034	4.8
107.04928	1.5
107.08607	8.5
109.02872	2.8
109.06520	5.3
109.10150	3.2
111.08089	1.4
116.98611	0.9
119.08533	3.2
120.08122	1.6
121.06492	1.6
121.10150	7.5
123.08079	4.7
123.11697	2.9
127.03915	6.4
131.08559	2.1
133.10107	4.1
135.08031	3.7
135.11702	1.6
137.05997	3.7
137.09631	8.5
143.04842	0.7
145.04982	6.3
145.10144	1.4
147.11673	2.2
149.09654	5.0
149.13245	4.9
151.09975	1.3
151.11186	22.0
157.06535	0.7
158.99655	1.3
159.07959	0.8
163.14780	1.6
165.12764	38.5
167.07027	2.5
173.13217	2.3
187.07608	1.4
191.14317	10.9
193.15910	2.3
209.15369	100.0
217.08578	1.6
223.88391	0.7
234.06926	0.7
247.09682	0.7
252.09186	0.7
261.09421	1.2
266.09299	0.7
285.07455	1.8
300.09924	2.2
321.10999	0.9
339.12152	1.4
353.13892	2.2
371.12665	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	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16447	2.2
53.03950	4.0
55.01876	5.2
55.05500	11.9
56.46260	2.4
56.96561	3.5
57.03441	2.7
57.07075	6.3
57.50653	2.3
59.79671	2.4
61.02917	3.1
65.03914	4.8
67.05496	12.0
69.03438	23.3
69.07075	21.4
69.50758	11.1
69.51172	6.1
70.06595	6.9
71.05002	4.1
72.08155	2.4
73.02927	2.7
79.05482	13.5
81.03423	9.9
81.07063	16.9
82.07381	2.4
83.04986	13.6
83.08632	6.1
84.04523	2.8
84.08133	4.4
84.97811	2.3
85.02916	17.9
85.06535	5.0
86.09700	4.9
91.05481	7.8
93.07049	15.6
95.04982	8.1
95.08611	17.1
97.02901	9.5
97.06539	12.5
97.10184	4.1
98.97596	10.2
101.06013	2.5
103.05462	2.6
105.07054	17.1
107.04974	9.2
107.08601	36.8
109.02888	5.3
109.06512	14.3
109.10144	19.6
111.04449	2.8
111.08096	18.1
113.05993	3.0
115.05475	3.4
117.07038	3.6
119.08596	10.2
121.06490	9.8
121.10148	26.1
123.08089	10.5
123.11720	3.8
127.03932	9.9
127.07590	3.5
131.08562	9.1
133.10144	100.0
134.47391	3.0
135.08066	16.9
135.11719	3.3
137.05986	14.9
137.09624	34.7
139.11122	3.2
145.04955	3.9
145.10144	7.0
147.08015	4.3
147.11728	10.9
149.09656	9.8
149.13272	17.8
151.07579	2.9
151.11180	12.3
153.09143	7.4
158.99689	4.5
159.08092	3.1
161.09624	2.8
163.14842	5.1
165.12733	4.2
167.07079	9.7
167.10709	3.6
167.14340	6.7
173.01199	3.5
173.13239	14.4
177.00754	4.2
187.07549	2.9
191.10654	5.8
191.14316	69.7
198.05917	4.5
207.04858	3.3
207.13748	3.7
209.08064	3.0
209.11769	5.2
209.15369	33.2
217.08716	7.6
230.14766	3.5
237.74210	2.4
239.07208	3.7
247.09619	4.1
264.56879	2.6
277.08530	2.8
285.07645	4.6
300.09964	3.7
308.12881	4.1
309.11899	3.2
321.11230	3.2
325.13763	3.0
335.18573	3.6
353.13959	4.2
353.19800	6.0
354.13840	5.1
371.12891	7.2
371.16806	87.3
371.20718	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	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80699	1.8
55.05528	2.4
57.88679	2.3
69.03433	5.3
69.07043	2.0
70.84510	4.7
71.69888	2.0
79.05482	3.6
81.07072	5.3
85.02917	3.7
90.29061	2.1
91.05480	4.4
93.07072	3.0
95.08575	2.3
97.02902	2.5
105.07010	3.9
107.08574	11.8
109.06525	4.5
109.10157	7.5
117.07034	3.2
119.08605	2.2
121.06543	2.4
121.10149	11.0
122.07301	3.0
133.10135	100.0
135.08069	10.7
137.05937	2.9
137.09634	55.7
149.13264	8.4
165.07176	2.3
167.07068	3.5
173.13239	5.0
177.19221	2.0
191.14304	36.2
209.15401	6.5
227.10683	2.7
361.97253	2.3
371.12848	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	371.2065
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
55.05519	27.5
57.03439	9.4
57.07064	18.2
60.58133	5.3
67.05512	8.5
69.03429	37.1
69.07059	37.9
70.95031	15.2
79.05495	26.2
81.03415	16.4
81.04559	7.6
81.07053	100.0
83.04991	26.8
83.08625	73.1
85.02927	35.6
85.06559	10.3
91.05508	13.6
93.07047	37.6
95.04974	11.9
95.06133	8.6
95.08611	17.0
97.02893	17.0
97.06544	10.2
99.04472	8.2
105.07026	18.1
107.08603	49.6
109.02876	7.7
109.06522	81.1
109.10157	68.3
111.08105	23.8
119.08578	15.8
121.06485	6.3
121.10166	37.9
123.08051	14.7
123.11701	32.7
125.07137	12.0
125.09649	6.1
125.13317	17.1
127.03936	37.5
131.08560	16.3
133.10147	57.8
135.08080	23.6
135.11707	9.3
145.04977	7.5
149.13243	54.5
151.11201	11.5
153.09152	17.3
163.14775	13.9
167.14342	88.4
169.12251	9.2
170.53700	5.6
173.13315	33.3
189.12840	7.6
191.14343	82.6
209.15388	70.1
226.81206	5.6
353.19617	12.3
371.16708	35.3
371.21692	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	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01855	3.8
55.05505	2.8
56.96555	3.5
57.03433	3.4
57.07078	1.1
61.02909	2.8
65.03932	1.5
65.70004	1.1
67.05512	5.1
69.03109	1.0
69.03433	8.2
69.07072	15.3
70.06568	1.2
70.10617	2.2
70.10999	3.7
71.04990	2.8
79.05499	6.2
81.03412	4.1
81.07061	6.5
83.04962	3.2
83.08608	2.3
84.08121	1.1
85.02909	9.9
86.09747	1.5
87.04466	1.1
91.05471	7.4
93.07045	17.7
95.04937	2.5
95.08610	7.5
97.02888	5.8
97.06516	5.4
98.97597	3.2
99.04477	5.0
105.07036	10.6
107.04965	2.2
107.08604	18.4
109.02851	1.4
109.06481	2.0
109.10153	3.0
111.04426	1.3
117.07008	3.8
119.08578	6.8
121.06511	17.0
121.10134	10.7
123.08069	2.6
123.11726	5.8
127.03934	6.5
127.07543	1.1
131.08582	4.5
133.10141	9.8
135.08046	9.8
135.11684	7.1
137.05977	3.5
137.09587	2.5
143.08612	1.7
145.04973	1.5
145.10109	8.2
147.11694	31.4
149.09618	4.6
149.13261	7.7
151.11118	2.1
159.08044	1.8
161.09593	4.5
163.11189	12.9
163.14839	1.4
165.09186	1.1
167.07056	2.2
173.13243	9.4
175.07556	1.9
177.05434	1.6
181.04948	1.1
181.12270	1.9
182.99445	1.0
185.18338	1.3
187.07576	1.3
191.10759	6.5
191.14311	100.0
192.14670	1.3
198.11325	1.2
203.05295	1.7
209.11678	2.7
209.15457	2.9
213.04022	1.6
222.06746	1.2
227.12776	11.1
231.04938	2.1
234.06744	1.7
235.07562	2.2
236.08362	1.4
237.08975	1.6
247.07745	1.2
249.09138	3.7
250.06232	1.2
252.07956	2.5
255.13222	1.1
263.07150	1.3
264.07840	2.2
265.08636	5.5
265.11996	0.9
266.09348	3.2
277.08609	2.8
280.07327	2.4
290.10696	1.1
293.11694	2.4
295.09604	1.5
296.10486	2.6
300.10068	1.2
311.12589	3.0
321.11121	1.6
327.12143	1.1
339.08630	1.6
339.12268	24.5
340.12772	1.8
354.10410	2.7
371.16983	26.7
371.24371	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.0
63.26675	0.6
69.03445	0.7
69.37340	1.1
69.37753	3.8
85.02902	0.8
93.07053	0.7
97.06516	0.8
101.00895	1.0
105.07031	0.6
107.03029	0.5
107.08578	1.0
109.06527	0.6
119.08610	0.6
133.10133	2.1
135.07971	0.6
137.09607	0.9
141.28699	0.6
157.03485	0.9
161.02864	0.8
165.01271	0.6
169.46785	0.6
173.02866	0.7
174.93445	0.6
183.95586	0.6
191.14310	2.1
221.05141	1.2
225.09645	0.7
255.08957	0.7
271.04367	0.9
280.58487	0.6
285.12338	2.2
303.12943	1.6
327.14151	17.9
371.13120	100.0
372.13052	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.3
56.96567	10.8
57.03441	11.4
57.04738	1.7
61.02937	10.8
69.03429	34.2
70.02975	1.9
70.06596	4.6
71.05005	3.5
71.55235	2.8
73.02917	11.9
73.04768	2.6
74.02439	15.1
77.72459	1.8
81.03427	10.2
83.01331	2.2
83.40316	2.1
84.96037	2.7
85.02912	95.7
86.03234	1.9
87.04472	5.5
88.03998	3.5
91.03966	2.3
91.05446	2.5
94.06572	86.2
97.02905	35.4
98.97585	38.5
99.00808	9.6
99.04460	5.8
103.24157	1.9
104.04989	4.3
109.02892	10.2
110.97598	10.2
111.04480	2.6
115.03942	3.5
116.03487	2.0
116.98650	12.5
118.06541	28.4
119.01868	3.3
120.04476	30.3
120.05315	2.6
123.04430	1.9
127.03922	24.5
128.98611	6.3
130.02887	2.4
130.06558	4.6
130.93343	2.1
131.00108	2.3
132.04443	6.8
132.08122	5.9
134.99657	1.9
136.06154	2.0
136.06464	2.6
136.07596	43.9
137.05968	7.9
143.00179	4.8
143.01863	3.9
145.04942	11.8
146.02325	3.1
146.06029	59.6
146.99725	2.8
147.04446	4.2
147.80766	1.8
150.05496	19.5
152.98730	2.0
155.02921	2.3
156.04434	2.5
158.06023	2.9
158.99716	10.3
160.07646	4.7
161.01266	3.9
161.02837	4.8
161.04974	2.1
163.08670	7.7
164.07002	9.6
167.07077	2.0
170.06033	8.7
170.99686	6.7
172.94366	2.5
173.02916	2.3
173.04793	2.3
174.05544	22.9
177.00751	3.8
177.05858	2.7
179.07066	3.0
182.03381	3.1
182.99661	2.1
184.07549	5.2
188.07127	2.5
189.00807	9.7
190.04990	2.9
191.02303	3.8
191.03908	14.5
192.06557	100.0
196.07611	6.1
197.01196	2.6
200.04468	18.5
201.00723	5.3
209.09225	93.3
214.08566	2.3
216.06435	2.1
219.01772	16.8
219.05066	4.2
224.07095	1.9
226.08659	4.3
234.07655	7.2
236.07118	3.6
237.02768	12.1
237.06230	3.2
243.01697	3.7
244.04353	4.2
254.08009	2.8
255.04041	3.7
261.02792	8.3
262.10703	4.9
270.07574	10.8
272.08383	10.7
273.02890	2.1
279.03998	5.5
281.07077	12.5
285.03033	3.5
290.06445	3.0
291.03748	2.7
298.12616	3.3
318.09756	15.2
321.04974	3.4
335.10150	6.4
336.10843	5.9
354.11868	2.2
355.06650	2.1
371.08078	3.1
381.10501	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	371.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
56.96565	1.7
67.46142	1.4
69.03423	1.6
69.83606	1.7
69.84008	5.1
70.06586	6.1
72.08142	1.0
73.04734	2.0
79.05496	2.4
85.02916	2.3
89.03904	3.8
91.05828	1.6
95.01329	2.1
95.04980	1.2
98.97589	1.8
103.24941	1.0
107.04949	2.7
117.03382	7.1
123.04435	1.5
131.04979	1.1
135.04420	14.4
138.03055	1.3
139.03902	2.9
145.02844	12.4
147.04456	5.0
149.02341	3.5
153.05469	80.8
156.87604	1.1
163.03911	100.0
175.03885	2.4
177.01799	3.3
177.04048	1.5
177.05511	1.8
181.04980	3.0
187.03920	2.5
189.05469	1.9
195.06517	27.3
203.03407	36.5
205.04982	2.1
208.31604	1.0
215.03400	6.3
219.03035	1.3
231.02989	5.1
233.04398	3.0
261.03891	6.6
275.05496	3.1
279.05051	10.4
285.00943	1.3
291.05038	7.8
321.06186	3.5
321.96671	1.1
329.05603	1.6
335.07794	1.5
339.07169	13.9
355.06705	1.1
371.12900	5.8
371.16907	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	370.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05592	39.5
69.07050	76.8
71.42463	66.0
76.98191	41.7
79.05478	56.7
81.07076	58.4
95.08649	48.8
107.08624	61.8
109.10140	72.9
114.08991	43.0
120.29462	47.5
185.48837	45.3
245.11812	52.7
339.65555	52.9
341.34259	45.9
370.40317	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99734	76.7
71.57058	88.7
78.70567	79.8
93.75140	81.3
104.35271	76.6
112.14200	100.0
136.94176	90.8
238.53630	78.6
255.09349	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
55.01879	6.0
55.05511	37.2
57.03449	8.3
67.05505	78.0
69.07070	62.4
71.04970	6.4
72.10711	3.5
77.55707	3.1
79.05492	50.5
80.40809	3.2
81.03429	4.3
81.07059	100.0
83.04980	7.4
83.08606	19.8
85.06526	5.1
85.84245	3.3
86.07471	3.0
91.05488	43.2
93.07048	54.0
95.04974	20.2
95.08611	94.5
97.06532	21.1
97.10180	9.3
98.20770	14.2
99.08100	4.9
101.53098	3.6
105.07031	42.9
107.08596	30.7
109.06535	7.8
109.10169	21.9
111.08063	6.9
117.07020	8.8
119.08568	34.2
121.06486	5.8
121.10146	34.3
123.08110	13.1
123.11730	7.3
131.08551	19.9
133.10130	35.5
135.08112	5.1
135.11716	17.7
137.09604	12.2
141.07014	3.4
143.34924	3.4
145.10136	14.4
147.11678	22.5
149.09639	8.0
149.13264	7.5
151.11185	4.4
159.11696	7.7
161.09636	4.3
161.13263	11.0
163.14842	6.3
171.11644	5.1
173.13268	12.6
175.14793	6.3
177.12878	4.2
187.14847	8.3
191.14366	6.0
199.14932	3.6
209.15359	25.7
221.15428	4.1
223.16991	12.3
241.17992	7.3
275.23672	6.4
285.22116	6.9
293.21039	3.5
303.23184	53.7
317.24765	14.3
335.25714	9.7
370.29086	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	370.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	33.5
57.07079	46.3
62.78789	14.5
65.81744	17.6
67.05498	27.7
69.07049	24.7
69.73922	100.0
71.08636	59.3
72.77841	20.6
81.07047	24.2
85.10188	31.8
89.06047	18.5
91.05470	35.7
93.07044	49.5
95.68343	17.3
97.41265	15.6
97.95467	15.2
98.21500	24.1
105.06982	20.2
121.06498	61.5
165.09171	46.0
213.69286	15.3
227.12819	96.6
370.40448	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	370.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19122	0.8
53.03946	1.3
55.01876	1.3
55.05511	6.5
57.03424	1.9
57.07066	1.7
58.06601	46.9
60.04524	9.8
67.05505	14.1
69.07075	8.3
70.06592	1.3
70.07580	4.2
79.05495	11.5
79.20470	0.8
81.03416	1.2
81.07053	17.2
83.04961	2.4
83.08604	4.5
84.08143	1.7
85.02889	1.4
91.05483	18.9
93.07039	10.6
95.04974	2.3
95.08601	13.1
97.06535	4.5
97.10152	1.9
98.97603	1.0
100.07624	16.1
105.06344	1.0
105.07022	23.0
106.07258	0.9
107.04916	2.3
107.08612	10.6
109.06489	1.4
109.10143	6.4
111.08067	1.3
112.07597	1.6
117.07016	4.7
119.08582	20.7
121.06474	1.3
121.10128	5.5
123.08076	2.9
123.11739	1.7
125.09620	1.1
131.08575	6.9
133.10130	21.5
135.08064	7.3
135.11682	4.2
137.09619	2.8
138.59192	0.8
145.10146	5.1
147.08078	0.9
147.11690	8.1
149.09616	3.6
149.13202	1.0
151.11200	1.9
157.10048	1.0
159.11668	4.5
161.13246	2.6
163.11171	1.8
169.10127	1.4
171.11696	1.5
173.13271	2.7
175.11208	1.5
175.14865	1.5
177.12613	1.1
187.11072	1.2
198.14980	1.4
216.16035	1.2
228.15956	1.5
229.14212	1.4
229.19446	1.9
232.09731	1.4
235.17023	1.1
239.17928	2.4
246.16997	3.9
247.20502	4.5
257.19040	8.0
264.23227	2.2
274.21652	1.8
275.20062	100.0
276.20340	1.9
280.86258	1.4
292.22672	11.7
293.21094	2.7
307.07327	1.0
310.23679	2.0
316.22659	1.2
334.23837	8.5
352.24829	43.1
370.20700	1.7
370.25916	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	370.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.01867	3.0
55.05510	22.7
56.05025	6.4
57.03448	2.8
58.06601	3.9
60.04527	53.9
62.06100	3.1
63.10028	1.7
67.05504	32.7
68.04672	2.7
68.05030	43.7
69.03423	5.6
69.07068	24.7
70.06587	3.3
71.04975	2.1
71.07367	4.2
72.04519	17.2
74.06075	5.2
79.05067	2.3
79.05498	24.1
80.04990	3.2
81.03427	2.6
81.07061	35.3
82.06560	2.7
83.04968	4.3
83.08628	11.5
84.04497	4.4
84.08162	3.4
85.06546	2.7
86.06062	7.3
88.07629	6.8
91.05488	30.8
93.07043	23.1
94.06556	5.5
95.04960	5.3
95.08617	33.3
96.08125	2.3
97.02933	2.3
97.06520	6.2
97.10184	13.1
99.04428	2.1
100.07608	4.2
105.07037	34.4
107.04940	3.5
107.08595	27.4
108.08071	3.4
109.06490	5.5
109.10157	14.2
110.06060	19.6
111.08067	5.5
114.05516	5.1
114.09174	12.9
116.07059	2.2
117.07012	10.3
119.08584	76.8
121.06503	4.1
121.10147	13.9
122.09609	2.2
123.08040	2.7
123.11712	5.6
124.07560	3.0
125.09632	11.6
131.08540	11.4
132.10216	23.2
133.10136	25.4
134.09718	2.3
135.08090	10.8
135.11697	6.6
135.94791	2.0
137.05933	1.9
137.09639	5.6
143.08583	2.4
145.10112	18.0
147.11691	15.6
149.09618	7.6
152.10667	2.4
153.07106	2.1
153.09010	1.9
153.37343	1.8
154.12207	2.1
155.08586	2.4
157.10118	6.2
159.11690	15.6
161.09601	2.2
161.13252	4.5
163.11165	3.1
166.12187	2.4
168.13759	1.8
169.10199	3.4
171.10222	2.1
171.11711	5.1
172.13332	2.7
173.13222	2.6
180.13814	2.6
183.11736	3.2
184.13364	9.6
187.11214	2.0
189.11201	5.9
193.12256	2.4
195.11707	1.9
197.13257	3.7
198.14903	11.6
210.14787	1.9
211.13298	7.7
215.90314	2.0
216.15955	60.5
221.15349	3.1
227.10713	2.4
229.19287	2.6
231.17426	2.2
239.17917	8.3
248.20084	2.6
254.17587	2.1
257.19034	17.9
258.16861	3.8
266.17453	7.9
266.21048	8.5
270.17163	2.0
272.18509	6.8
274.21609	4.5
275.20071	100.0
276.20337	2.2
292.22733	31.9
293.21121	4.5
298.37305	1.9
308.22141	3.4
310.23602	5.8
316.22748	2.9
334.23740	36.4
335.11063	3.4
352.24802	79.3
370.20767	2.0
370.25928	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	370.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01871	3.1
55.05513	10.7
56.96558	3.4
57.03437	4.2
58.06589	6.1
60.04529	34.4
62.05798	2.2
62.06094	33.8
62.58778	1.4
67.05508	18.8
68.05019	6.0
69.03413	5.7
69.07068	15.8
70.06577	1.5
71.00758	3.4
71.04981	2.6
79.05501	16.8
81.03445	3.5
81.07056	26.1
82.06618	1.7
83.04974	2.2
83.08598	6.6
84.04488	6.4
85.02890	3.5
85.06503	1.5
91.05480	21.2
93.07034	16.5
94.06597	3.3
95.04951	6.6
95.08609	18.2
97.02901	1.6
97.06544	9.4
97.10147	5.5
98.06065	1.8
98.97575	3.4
99.08083	3.3
100.07634	1.6
105.07036	21.2
107.04961	3.2
107.08593	14.1
108.08131	2.5
108.09009	1.4
109.06514	8.7
109.10159	12.7
110.06006	2.6
111.08071	3.3
115.05534	1.7
115.07499	1.6
117.07039	9.4
119.08587	52.3
121.06503	3.2
121.10143	9.9
123.08031	10.1
123.11707	2.2
125.09617	5.3
126.18228	2.2
129.07011	4.2
131.08577	8.9
133.06528	1.9
133.10133	17.7
134.09761	1.8
135.08017	8.6
135.11649	3.2
136.11214	2.1
137.05952	3.2
139.11137	2.7
141.06998	2.6
143.08495	1.9
145.10095	11.9
147.11751	8.7
149.09625	4.5
152.10683	1.7
155.08618	1.9
157.10110	6.3
159.11673	9.5
161.09717	3.0
161.13277	3.1
163.03915	2.1
163.11168	4.3
169.10117	4.0
171.11719	4.2
173.13170	2.6
175.11136	2.0
177.12758	3.6
183.11771	2.9
189.11263	3.4
197.13234	1.7
198.14885	3.4
210.14816	1.8
211.98836	1.5
216.15991	5.1
221.15340	2.2
226.18005	4.4
229.19659	1.8
236.16103	1.8
239.17888	4.7
247.20576	2.4
257.18942	9.7
274.21713	5.5
275.20084	53.0
290.08096	1.9
291.19550	4.0
292.22687	24.6
293.21097	2.5
301.16693	1.9
316.22748	6.5
334.23740	24.5
346.03183	1.5
352.24829	100.0
358.44040	1.8
370.20151	4.9
370.26163	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	370.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	1.2
57.03421	0.8
65.05746	0.6
67.05499	2.5
68.98119	0.6
69.03419	2.0
69.07063	1.2
70.06589	2.3
70.13895	2.3
71.03548	0.7
71.04990	5.2
72.08156	1.7
79.05480	0.9
81.03406	0.9
81.07090	1.3
83.04985	0.7
85.02904	4.4
86.03270	0.8
86.09705	1.3
90.55555	0.7
91.05468	1.9
93.07053	0.8
97.02882	1.8
97.06516	1.0
98.21550	0.8
98.97599	1.1
103.05471	2.2
105.07002	0.7
109.10146	2.1
111.08011	0.7
119.08624	0.7
120.08112	100.0
121.08437	0.9
135.08005	0.7
149.09718	0.8
151.11168	1.2
158.99661	1.1
177.00909	0.7
189.12738	1.0
190.12259	49.8
192.14748	1.1
207.13870	1.6
208.13248	4.6
217.07217	0.7
229.14331	3.8
309.11063	1.5
334.14111	1.1
352.15259	1.2
370.16147	1.0
371.16702	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.5
54.07308	5.1
55.01848	5.4
55.05512	30.7
56.02113	4.7
57.07069	19.2
60.07481	5.6
67.05509	77.2
69.07079	83.2
69.24079	58.4
71.05022	8.8
71.08624	21.3
73.06528	7.0
79.05491	61.8
81.03428	13.6
81.07066	100.0
83.04978	6.2
83.08615	17.4
85.10191	11.5
89.06015	16.5
91.05480	75.5
93.07059	64.0
95.04974	30.6
95.08620	68.6
97.06566	29.8
97.10205	8.7
98.09724	5.9
99.08098	6.1
102.76869	5.3
104.63149	5.4
105.07037	53.7
107.08623	39.0
109.06495	12.9
109.10167	31.3
117.07012	15.6
119.08601	56.1
121.06507	35.8
121.10156	34.3
123.08046	12.1
123.11729	12.6
129.06960	6.4
131.08565	22.1
133.10132	53.9
135.08044	8.0
135.11693	12.9
137.09628	10.9
142.15933	14.9
145.10159	17.7
147.11705	33.2
149.09630	12.3
149.13275	7.5
151.11171	14.1
157.10150	9.2
159.11713	22.4
161.13258	13.7
163.11182	7.2
165.09077	9.1
171.11743	7.1
173.13231	20.8
177.12866	6.7
181.70261	6.0
187.11224	7.2
209.15498	9.7
218.50259	6.3
227.12738	37.7
239.17973	9.4
247.20613	7.3
275.20029	52.8
289.21561	11.4
303.23260	16.1
307.22345	5.8
328.08221	21.9
370.29648	12.7
370.40433	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	370.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46749	0.4
53.03927	0.5
55.05519	0.6
56.96568	0.8
57.03426	1.3
59.04953	0.5
61.02915	0.6
64.65811	0.4
67.05505	1.6
69.03414	2.1
69.78454	2.7
70.06583	1.5
71.04993	4.7
72.08145	1.4
79.05482	0.9
81.03424	1.3
81.07046	1.4
85.02904	4.4
86.03222	0.6
86.09734	0.8
87.04417	0.6
91.05489	1.4
93.07037	1.0
97.02889	1.7
97.06547	0.9
98.20777	0.8
98.97590	1.5
99.04392	0.6
103.05463	2.6
105.07035	0.6
107.08571	0.5
109.02862	0.7
109.06539	0.4
109.10163	2.1
110.97498	0.5
119.08602	0.5
120.08107	100.0
123.11750	0.8
125.06003	0.8
125.96920	0.6
127.03905	0.8
133.10123	0.7
137.06029	1.2
149.09656	0.9
150.09964	1.0
151.11119	0.5
152.11574	0.7
164.11642	0.5
173.11900	0.6
181.43263	0.6
189.12733	1.2
190.12251	43.7
191.14192	0.7
192.14697	0.8
207.13826	1.4
208.13239	4.7
215.03267	0.5
229.14336	3.1
235.08247	0.6
278.11884	0.6
309.11185	1.1
334.14124	0.6
352.15112	0.9
370.12286	0.7
370.16132	1.0
370.19608	0.6
371.16708	1.5
387.82254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.0
55.01865	7.0
55.05519	38.4
56.96567	7.8
57.03427	15.5
57.07059	13.1
59.05041	3.6
67.05508	100.0
69.03413	7.8
69.06798	3.0
69.07078	34.6
71.04977	12.1
71.08636	49.2
79.05492	57.9
81.03426	20.6
81.06586	5.2
81.07059	82.1
83.04969	14.9
83.08624	21.5
85.02888	4.7
85.06528	14.5
90.30052	3.5
91.05479	54.2
93.07044	67.0
95.04969	49.8
95.08610	47.6
97.06548	25.1
97.10162	23.0
99.04505	3.7
99.08089	41.7
101.57601	3.4
105.07037	50.8
107.08593	53.1
109.06512	15.0
109.10147	35.9
111.08084	8.3
113.06020	3.3
117.07009	11.5
119.08575	37.7
121.06474	8.3
121.10153	29.6
123.08064	11.5
123.11713	12.4
125.09615	14.1
129.07010	8.6
131.08551	28.4
133.10117	36.5
135.08072	19.0
135.11670	26.2
137.05882	3.9
137.09641	9.5
139.07452	3.4
139.11169	3.4
142.07779	5.1
143.08574	18.5
145.10120	30.2
147.08031	8.2
147.11652	23.6
149.09625	11.3
149.13242	14.8
151.11179	48.6
155.08614	8.2
156.09290	3.8
157.10139	21.6
159.08084	6.1
159.11694	20.4
161.09596	14.3
161.13219	21.4
163.11188	18.4
163.14864	7.4
165.09067	5.3
165.12819	9.1
169.10127	7.4
171.11650	13.6
172.94366	10.4
173.09618	8.1
173.11729	14.4
173.13176	8.3
175.11211	8.0
175.14798	10.1
179.14279	15.7
180.21661	3.5
181.10143	4.1
182.99663	3.5
183.11719	10.6
185.13298	11.3
189.11201	24.3
189.12747	8.0
190.95428	5.2
193.09984	5.7
193.15880	4.2
195.11725	9.8
197.13347	10.2
199.11127	4.5
199.14781	7.0
201.12700	4.4
203.14377	6.5
207.11783	5.2
207.13744	6.4
208.12448	4.3
209.13295	8.7
211.11037	3.7
213.12874	6.0
215.14308	5.8
221.15259	6.5
223.14868	4.7
223.61044	3.8
224.08047	5.3
225.12811	3.3
227.10762	3.5
227.12790	15.9
229.07352	3.7
231.21059	5.1
232.96439	11.3
235.14923	4.0
241.15880	5.9
241.19518	13.2
245.13824	11.8
250.97446	5.9
253.18036	7.2
259.20584	20.5
269.10666	6.8
269.18845	4.5
277.21649	97.0
309.22385	5.6
311.19910	6.0
330.85565	3.4
333.21976	8.3
351.25580	80.1
352.24783	3.2
369.19379	10.1
369.24487	35.1
387.20511	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	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.1
53.84706	2.4
55.01862	7.6
55.05275	3.0
55.05515	45.1
56.96550	8.8
57.03437	17.2
57.07068	8.9
65.03938	6.0
67.05506	100.0
69.03416	4.8
69.07075	34.6
70.21136	9.3
71.04990	5.7
71.08630	56.1
72.63724	2.5
75.04482	2.7
79.05494	51.4
80.05813	3.2
81.03413	18.3
81.06588	4.0
81.07056	74.5
83.04965	8.9
83.08626	31.7
85.02907	4.9
85.06528	8.5
85.10187	3.4
91.05483	44.3
93.07044	61.0
95.04472	2.2
95.04977	18.5
95.08604	43.2
97.06525	15.2
97.10178	22.5
98.97567	3.9
99.08091	49.1
105.07027	33.8
107.04959	6.0
107.08595	41.3
109.06499	8.4
109.10163	29.5
111.08067	6.2
113.09608	2.9
117.07024	11.6
119.08585	27.6
121.06532	2.4
121.10136	20.6
123.08072	8.1
123.11710	7.8
125.09644	20.2
127.11346	3.0
129.06992	6.5
131.08592	11.7
132.99557	4.1
133.10139	24.9
135.08038	7.5
135.11685	18.1
137.05952	5.6
137.09653	4.4
139.11165	5.6
142.07730	3.0
142.98087	2.8
143.08580	6.8
144.99603	2.7
145.10129	15.2
147.11668	12.8
149.01233	3.1
149.09630	2.8
149.13272	11.8
151.11189	56.7
152.10231	2.7
153.09200	3.7
157.10199	5.5
159.11714	7.5
161.09656	3.3
161.13271	16.8
163.03864	2.7
163.11169	15.7
163.14793	3.6
165.12761	9.0
171.11707	7.4
172.94342	6.5
173.11732	19.6
173.13170	5.6
175.14819	6.7
176.11928	2.4
177.12817	3.7
179.14279	15.5
185.13245	6.8
187.00679	3.6
187.14896	3.0
189.11247	23.1
189.12750	3.9
190.95374	5.0
191.00122	4.9
193.12196	2.8
195.13791	4.6
207.13762	3.9
213.05511	3.1
214.95438	2.5
227.12779	19.2
231.20999	4.4
232.96448	10.1
241.19533	9.4
245.13855	14.7
250.97560	5.7
253.17995	9.4
259.20712	11.8
269.10587	5.6
269.17474	8.3
275.20157	2.8
277.21609	89.4
295.22745	14.2
309.00061	2.5
309.26123	10.6
349.16568	4.5
350.17383	3.3
351.18448	4.2
351.25311	65.7
352.25085	2.9
367.18353	3.2
369.17841	7.1
369.26599	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.05516	19.8
57.03437	7.6
57.07074	4.1
57.40408	2.7
65.03959	3.3
67.05507	46.9
69.07066	19.9
71.04993	4.0
71.08633	42.5
71.56261	3.8
79.05494	50.8
81.03426	6.9
81.07057	56.2
83.04975	12.2
83.08627	13.6
83.56015	2.6
85.06533	5.3
91.05480	35.2
93.07041	60.5
95.04959	17.1
95.08604	38.5
97.06524	10.4
97.10168	5.0
99.08094	28.3
105.07043	26.7
107.04950	6.6
107.08596	35.5
109.06512	5.6
109.10133	15.3
111.08115	2.6
111.10798	2.4
113.09694	2.7
117.07013	5.1
119.08574	18.9
121.06596	4.4
121.10153	29.5
125.09621	3.9
127.63323	2.6
129.07039	4.2
131.08578	8.5
133.10098	16.6
135.11681	35.1
137.09592	3.7
141.09106	4.0
141.38736	2.5
145.10089	8.1
147.08055	2.7
147.11647	4.5
149.13290	9.3
151.11194	19.6
155.08604	2.5
157.10135	4.0
159.11638	5.2
161.13232	13.2
163.11192	9.3
165.12706	3.9
171.11728	3.0
172.94351	3.6
173.11823	4.7
173.13208	3.7
177.12787	5.9
179.12747	5.4
179.14317	100.0
185.13396	3.0
189.12704	3.3
190.95461	4.8
232.96474	9.0
235.16916	4.7
250.97464	5.0
259.20636	6.3
275.19989	3.6
277.21588	56.1
289.21640	6.3
309.26001	7.2
329.14221	4.3
351.25293	84.2
369.14511	13.9
369.19724	5.3
369.23892	4.8
369.28018	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	369.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.5
55.01873	7.6
55.05513	30.0
56.96557	4.0
57.03423	9.0
57.07067	5.4
65.03922	4.0
67.05505	79.8
69.03418	5.2
69.06737	2.7
69.07074	32.6
69.67908	14.1
71.04973	7.5
71.08635	41.6
79.05495	51.0
81.03411	20.4
81.07063	61.0
82.07375	2.7
83.04964	9.7
83.08627	20.8
84.08942	2.2
85.06538	6.8
91.05489	38.5
93.07046	55.7
95.04964	21.6
95.08610	37.8
97.06535	13.0
97.10171	10.9
99.08093	36.5
105.07027	35.7
107.04967	5.5
107.08595	37.0
109.06499	9.9
109.10146	27.0
110.97478	2.4
111.08092	6.6
117.07009	12.7
119.08570	22.3
121.06504	3.7
121.10136	18.5
122.10488	2.2
123.08058	5.5
123.11701	4.9
125.09634	12.7
129.06976	8.3
131.08575	11.5
133.06532	2.6
133.10135	22.7
134.50522	2.4
135.08038	5.5
135.11707	16.8
137.06004	3.9
137.09644	3.0
139.07570	3.7
142.07632	3.1
143.08536	8.5
145.10167	12.6
147.11723	18.3
149.09607	3.2
149.13251	9.2
151.11183	45.2
157.10129	5.0
159.08035	2.8
159.11693	6.6
161.09540	2.7
161.13258	16.4
163.11174	15.9
165.09059	2.9
165.12720	8.3
169.01236	2.5
171.11768	7.7
172.94415	3.1
173.11717	10.6
173.13208	6.3
175.14819	8.2
177.12738	4.2
179.14368	14.7
181.12152	3.3
185.13292	8.8
189.11212	15.8
189.12755	4.7
190.95432	5.7
193.12172	2.9
193.15900	2.4
195.13818	3.1
199.14786	3.5
207.13744	2.7
221.15359	5.4
227.12793	9.8
230.05873	2.6
231.21040	5.0
232.96432	7.4
241.19577	13.4
245.13826	9.2
250.97519	4.3
259.20612	13.9
269.17407	4.0
277.21613	100.0
295.22726	3.4
311.16537	3.1
322.95895	3.2
351.25363	71.7
369.25839	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	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.5
55.01863	12.6
55.05507	28.3
56.96566	7.6
57.03434	10.2
57.07076	5.9
60.04464	2.6
65.03944	5.5
67.05503	72.6
69.03428	3.5
69.07069	33.9
70.06593	6.2
71.04973	4.7
71.08629	48.1
79.05492	79.1
81.03419	14.6
81.07056	77.5
83.04982	13.9
83.08614	21.4
85.02882	3.1
85.06551	5.6
91.05479	52.9
93.06474	6.2
93.07043	91.7
95.04963	14.8
95.08607	52.1
95.09171	4.4
97.06531	28.8
97.10178	9.4
98.97585	4.1
99.08090	37.7
105.07030	39.0
107.04945	13.6
107.08595	48.0
109.06537	5.6
109.10149	28.2
111.08099	4.0
115.08639	3.3
117.07028	8.1
119.08562	33.5
121.06535	3.6
121.10136	40.9
123.08076	8.1
123.11679	4.7
124.34827	3.6
125.09647	5.8
127.11178	3.0
128.06259	4.0
129.07014	8.6
131.08534	17.7
133.02863	4.8
133.06483	3.2
133.10118	30.4
135.08066	6.6
135.11685	42.3
137.09621	11.1
139.11148	4.1
141.06897	3.5
141.09131	5.2
142.07744	2.7
143.08539	6.9
145.10117	14.5
147.08017	3.8
147.11711	20.9
149.09642	3.2
149.13287	15.3
151.11185	21.4
157.06541	3.5
157.10118	9.2
159.11710	9.9
161.02368	7.4
161.09744	5.9
161.13301	13.0
163.03886	4.0
163.11182	8.2
165.12741	6.6
171.11644	7.2
172.94374	10.1
173.11716	3.6
173.13206	4.2
175.11243	8.4
175.14796	6.3
176.11971	8.3
177.12744	6.9
179.14305	99.3
187.03860	16.9
187.14819	3.4
189.12787	7.5
190.95439	10.4
199.03862	4.5
199.14764	3.2
201.05475	3.7
207.13840	3.1
213.05499	12.9
213.16464	3.6
214.95229	4.6
221.15378	4.6
225.05501	3.9
229.07491	5.4
232.96323	15.5
235.16896	5.9
239.07016	4.9
241.19589	3.3
246.65005	3.1
250.97472	6.2
253.08566	3.0
259.20551	7.5
277.21634	100.0
291.62601	3.0
304.94888	3.3
309.26160	10.7
311.16693	3.2
322.95963	3.2
337.14478	16.7
351.25302	91.0
351.34827	3.0
369.16327	4.2
369.24808	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	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.8
55.01866	8.3
55.05516	42.1
56.96568	4.7
57.03425	16.9
57.07071	9.4
60.04507	5.4
60.51608	3.2
67.05505	81.2
69.03432	5.6
69.07066	36.6
70.06615	4.0
70.49239	4.0
70.49602	13.0
71.04988	7.7
71.08294	4.6
71.08636	61.0
79.05491	67.9
81.03416	17.9
81.07060	81.0
82.07362	4.0
83.04958	15.0
83.08607	24.3
85.06535	8.4
87.58496	3.6
91.05492	44.7
93.07047	84.3
94.07371	4.9
95.04958	20.1
95.08610	54.1
97.06524	25.1
97.10164	18.2
99.08096	49.2
105.07022	46.5
107.04963	8.7
107.08604	40.8
109.06512	10.4
109.10163	31.7
111.08079	7.6
117.07004	14.7
119.08592	26.9
121.10127	31.2
123.08041	4.4
123.11729	6.3
125.09617	12.1
128.06215	4.3
129.06964	7.9
131.08572	11.2
133.10133	22.3
135.08066	5.0
135.11700	37.2
137.09570	7.4
139.11180	5.1
143.08572	5.8
145.10081	16.8
147.11678	20.7
149.09657	4.6
149.13237	13.6
151.11203	46.5
157.10063	9.4
159.11644	8.5
161.13281	24.0
163.11183	15.2
163.14790	6.3
165.12646	4.4
167.55272	3.6
171.11597	9.3
172.94377	7.8
173.11815	18.6
173.13110	5.3
175.14850	5.3
177.12695	4.8
179.14319	68.5
185.13252	9.0
189.11156	16.3
189.12723	5.2
190.95317	7.9
195.26598	4.1
204.26338	4.0
207.13789	4.0
214.95412	3.9
227.12827	10.8
232.96439	8.9
241.19495	6.5
245.13840	9.8
253.17934	9.0
259.20575	11.9
275.20151	6.6
277.21616	100.0
292.23264	4.7
295.22021	6.0
309.26041	15.9
322.96060	5.3
332.77124	3.8
351.25299	90.2
369.24652	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	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33105	2.1
53.03943	8.6
53.96619	2.3
55.01871	5.7
55.05508	35.0
56.96566	6.2
57.03429	10.0
57.07075	5.6
67.05505	85.6
69.03420	4.0
69.07070	24.6
69.60360	13.3
70.72266	2.3
71.04996	3.8
71.08244	2.6
71.08633	51.1
74.55807	2.9
75.36813	2.4
79.05495	55.9
81.03413	21.8
81.07063	80.1
83.04965	12.0
83.08614	16.1
85.06541	4.4
88.52614	2.4
91.05484	40.4
93.07045	63.3
95.04974	25.2
95.08607	35.6
97.06525	10.8
97.10172	10.6
99.08099	40.0
105.04502	3.4
105.07035	37.7
107.04967	6.9
107.08596	42.6
109.06502	6.1
109.10150	25.2
111.08073	5.3
113.09550	2.6
117.07012	11.4
119.08583	25.1
121.10139	15.3
123.08035	5.0
123.11688	6.6
125.09653	14.0
127.11160	3.0
129.07013	7.8
131.08569	10.1
133.10115	19.5
135.08073	4.2
135.11703	25.0
137.09663	4.2
139.11189	2.9
143.08594	3.1
145.10150	9.2
147.11667	17.5
149.13245	14.2
151.11189	57.6
157.10123	3.7
159.11678	6.1
161.13248	25.1
163.11230	17.8
163.14857	3.0
165.12778	8.5
171.10223	3.9
171.11699	5.0
173.02403	2.5
173.11743	16.2
173.13237	5.9
175.11221	2.8
175.14847	5.9
177.12766	3.0
179.12956	2.6
179.14355	15.1
185.13206	4.9
187.03932	8.4
189.11215	14.8
189.12721	4.4
195.13776	2.7
213.05612	4.3
221.15335	5.9
227.12807	12.2
231.20981	5.6
232.96577	3.2
241.19499	14.4
245.13867	8.8
249.22514	3.4
253.18021	8.9
259.20465	15.2
269.17456	7.8
277.21613	100.0
309.26135	3.7
337.14410	5.8
338.95102	2.7
351.18408	3.5
351.25293	60.1
352.18878	4.0
352.25342	3.2
369.16974	3.4
369.26477	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	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.8
55.01866	8.3
55.05516	42.1
56.96568	4.7
57.03425	16.9
57.07071	9.4
60.04507	5.4
60.51608	3.2
67.05505	81.2
69.03432	5.6
69.07066	36.6
70.06615	4.0
70.49239	4.0
70.49602	13.0
71.04988	7.7
71.08294	4.6
71.08636	61.0
79.05491	67.9
81.03416	17.9
81.07060	81.0
82.07362	4.0
83.04958	15.0
83.08607	24.3
85.06535	8.4
87.58496	3.6
91.05492	44.7
93.07047	84.3
94.07371	4.9
95.04958	20.1
95.08610	54.1
97.06524	25.1
97.10164	18.2
99.08096	49.2
105.07022	46.5
107.04963	8.7
107.08604	40.8
109.06512	10.4
109.10163	31.7
111.08079	7.6
117.07004	14.7
119.08592	26.9
121.10127	31.2
123.08041	4.4
123.11729	6.3
125.09617	12.1
128.06215	4.3
129.06964	7.9
131.08572	11.2
133.10133	22.3
135.08066	5.0
135.11700	37.2
137.09570	7.4
139.11180	5.1
143.08572	5.8
145.10081	16.8
147.11678	20.7
149.09657	4.6
149.13237	13.6
151.11203	46.5
157.10063	9.4
159.11644	8.5
161.13281	24.0
163.11183	15.2
163.14790	6.3
165.12646	4.4
167.55272	3.6
171.11597	9.3
172.94377	7.8
173.11815	18.6
173.13110	5.3
175.14850	5.3
177.12695	4.8
179.14319	68.5
185.13252	9.0
189.11156	16.3
189.12723	5.2
190.95317	7.9
195.26598	4.1
204.26338	4.0
207.13789	4.0
214.95412	3.9
227.12827	10.8
232.96439	8.9
241.19495	6.5
245.13840	9.8
253.17934	9.0
259.20575	11.9
275.20151	6.6
277.21616	100.0
292.23264	4.7
295.22021	6.0
309.26041	15.9
322.96060	5.3
332.77124	3.8
351.25299	90.2
369.24652	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	369.2426
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
53.03939	8.9
55.01865	8.8
55.05512	43.6
55.71318	3.8
56.96559	10.3
57.03416	14.2
57.07068	16.3
59.04985	5.8
63.91471	3.9
65.03944	3.8
67.05504	100.0
69.03419	7.1
69.07077	39.4
69.49643	7.8
69.50052	23.0
71.04990	23.2
71.08639	31.5
79.05497	62.1
81.03394	12.9
81.07057	85.5
83.04955	17.7
83.08627	28.4
85.02888	6.9
85.06562	25.5
91.05466	48.0
93.07056	67.4
95.04975	97.9
95.08601	47.0
97.02888	4.0
97.06539	40.5
97.10150	15.6
98.20770	9.2
98.97561	7.4
99.08099	26.9
105.06383	6.7
105.07035	73.4
106.91763	4.3
107.04931	10.5
107.08596	62.9
109.06538	27.8
109.10175	40.5
111.08080	12.0
113.05988	8.9
113.09620	6.1
116.06260	5.5
117.07001	21.3
119.08579	69.3
121.06486	13.3
121.10146	37.5
123.08061	20.5
123.11686	9.8
125.09621	14.2
128.06204	11.9
129.07002	16.6
131.08557	49.9
133.10127	54.1
135.08058	33.9
135.11670	18.4
137.05952	11.2
137.09616	25.6
141.07004	11.2
142.07794	13.8
143.08549	33.9
145.10110	49.3
147.08083	19.7
147.11691	27.5
149.09601	33.0
149.13240	11.5
151.07536	5.9
151.11186	28.7
153.07037	5.9
155.08528	14.0
155.10674	10.4
156.09361	10.8
157.10121	36.9
158.10864	5.7
159.08083	14.9
159.11711	28.0
161.09628	28.2
161.13222	20.5
163.11168	11.2
165.06975	8.2
165.12759	8.1
166.07710	4.5
167.08540	6.7
169.01340	4.4
169.10118	18.8
170.10899	8.8
171.11696	32.9
172.94356	12.0
173.09560	15.5
173.11774	11.2
173.13271	15.6
175.11235	12.4
175.14810	13.2
177.12732	7.1
179.08528	8.0
179.14253	9.3
181.10127	9.9
183.11716	23.9
184.12302	4.8
185.13245	17.6
187.11182	8.1
187.14816	4.6
189.11171	15.7
189.12750	12.8
191.14365	4.9
192.09406	5.0
193.10132	9.1
194.10860	6.6
195.11745	21.3
195.13492	5.0
197.13228	19.0
199.11130	7.0
199.14801	10.5
201.12747	12.1
203.14276	21.5
207.11639	11.3
207.13641	6.9
208.12462	7.3
209.13231	17.4
211.11217	7.0
211.14781	10.0
213.12849	8.9
215.14282	4.4
221.13246	9.6
221.15385	12.0
222.14127	4.6
223.14803	15.7
225.16414	9.7
227.12625	10.6
229.15967	5.6
232.96498	14.8
233.15466	11.3
235.14847	14.0
239.14359	7.3
241.15886	11.2
241.19453	7.8
249.16478	8.9
251.14362	7.0
251.17905	8.3
253.15691	8.5
259.20499	7.6
267.17490	9.8
269.15219	8.8
269.19141	9.0
277.21625	57.0
280.94989	4.9
285.18457	5.0
293.18933	12.9
309.22028	9.8
311.16647	5.5
311.19962	13.6
327.23434	5.0
333.22122	14.6
351.23074	37.0
351.25150	22.9
369.16827	7.5
369.24057	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2426
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
53.03938	6.2
55.01876	9.7
55.05519	26.4
57.07068	11.4
63.51109	3.7
65.03938	6.3
67.05514	41.7
69.07067	25.9
69.33432	40.3
71.05000	8.9
73.21707	3.6
74.98544	4.3
79.05483	30.2
81.07058	52.7
83.08617	14.7
85.06551	6.7
87.04496	6.0
91.05489	55.5
93.07058	50.7
94.11958	4.5
95.04971	28.3
95.08614	79.0
97.02914	5.8
97.06549	11.3
98.07862	4.5
100.11270	9.7
101.11572	5.9
105.07031	61.9
107.08599	56.6
109.06508	13.7
109.10157	48.9
109.97361	4.8
111.08073	31.8
117.07023	21.7
119.08581	100.0
121.06482	7.9
121.10156	56.8
123.08051	13.3
123.11704	15.6
128.06230	11.2
129.07005	16.5
131.08566	53.2
133.10138	51.3
135.08072	28.7
135.11702	21.6
137.05989	95.9
137.09615	6.9
139.07491	6.8
141.06975	8.2
142.07782	15.6
143.08543	36.7
144.09352	10.1
145.06490	5.5
145.10133	70.7
147.08038	14.5
147.11700	21.3
149.09618	20.1
149.23726	4.8
151.07556	7.2
155.08540	14.9
156.09395	13.5
157.10136	48.6
158.10881	11.6
159.08098	27.3
159.11676	34.5
161.09654	10.2
161.13258	10.0
163.07585	8.9
163.11235	6.7
163.14923	4.8
165.06981	5.1
165.09190	7.1
167.08592	6.2
168.09367	11.3
169.10178	16.7
170.10951	9.9
171.11716	31.3
172.12563	5.0
173.09647	9.9
173.13269	36.4
175.14845	40.1
177.09146	12.7
177.12831	6.5
180.09343	6.7
181.10130	14.0
183.11656	37.5
185.13237	26.5
187.11145	8.6
187.14862	34.4
189.12677	8.3
191.14246	9.1
193.10117	8.7
195.11719	19.7
196.12453	6.1
197.13335	25.8
199.11174	6.5
199.14865	14.7
201.09163	5.9
201.12781	8.9
201.16490	5.0
205.15903	9.1
207.11778	7.2
209.13312	22.7
211.11168	16.1
211.14839	13.1
213.12720	5.6
213.16438	6.0
221.13324	6.6
223.14865	7.7
224.15611	5.3
225.16457	6.0
229.12268	12.3
229.15924	5.2
233.15410	8.9
235.14851	8.2
237.16389	6.5
239.18018	9.3
243.17583	5.6
249.16513	8.2
257.15402	13.6
265.19525	13.1
269.15311	8.2
271.16940	10.4
277.15979	6.2
285.18695	5.2
295.17026	7.3
351.23221	33.8
369.24207	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.05509	2.6
57.03421	3.1
59.04994	1.7
61.02907	2.6
62.54644	1.3
67.05498	3.7
68.63386	1.3
69.03121	1.5
69.03432	15.0
69.05558	1.2
69.07048	1.3
70.03061	6.4
71.04975	2.0
79.05483	4.7
81.03405	6.3
81.07055	5.8
83.04963	6.3
85.02910	22.8
87.04455	1.8
90.98335	1.7
91.03947	1.4
91.05483	4.5
93.07037	5.1
94.89148	1.3
95.04958	4.8
95.08612	2.2
97.02911	10.5
97.06541	1.7
99.04433	3.4
105.07027	13.7
107.08600	11.4
109.02863	8.5
109.06524	7.3
109.10185	3.1
111.04456	1.6
117.07047	2.3
119.04934	1.7
119.08580	15.1
121.06510	3.3
121.10139	9.6
122.53358	1.3
123.08060	4.6
123.11759	2.3
127.03890	7.3
127.11087	1.3
129.06932	1.6
131.08545	3.4
133.06540	3.3
133.10129	17.2
135.08032	5.2
135.11644	2.1
137.09596	9.7
143.08582	2.5
145.05023	6.7
145.10136	8.5
147.08003	4.2
147.11708	11.1
149.09628	38.1
149.13226	2.8
151.11186	60.5
156.09329	7.1
159.08058	12.4
159.11665	1.9
160.08850	3.3
161.09610	5.0
161.13257	12.8
163.11191	21.4
165.12761	1.4
171.11729	10.2
173.13263	3.6
174.10410	34.5
177.05519	4.8
179.10695	2.4
187.11079	2.1
189.12749	100.0
191.14307	26.6
204.56358	1.6
205.07082	1.8
207.13805	61.9
327.67404	1.4
358.13132	1.3
369.15536	8.4
369.19379	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	369.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.5
55.05503	1.7
55.92672	0.5
56.83522	0.6
66.93553	0.6
67.05494	2.2
69.07049	1.0
70.15448	0.7
70.15794	2.2
79.05478	1.5
80.99458	0.5
81.07047	1.4
83.08609	0.6
91.05482	1.3
91.18168	0.5
93.07032	1.4
95.08582	1.0
97.06528	1.1
97.10183	0.6
98.97584	0.7
105.07021	1.4
107.08596	0.8
109.10157	0.9
112.07567	0.6
114.09151	1.2
115.05608	0.5
117.07046	0.5
119.08591	0.8
121.10162	0.7
123.00761	1.8
125.09615	0.7
132.10201	1.8
137.09621	1.0
141.01842	1.1
169.01331	2.3
175.65829	0.6
192.59122	0.6
251.12531	1.2
307.22415	5.3
323.21893	5.1
351.20911	2.6
369.22473	100.0
370.22736	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.01854	3.0
55.05504	2.3
56.96555	1.8
57.03433	5.3
58.98299	1.6
59.04988	2.1
59.74155	1.4
61.02932	7.3
64.06078	1.4
67.05499	4.3
69.03437	23.0
69.07056	5.3
70.06593	3.4
71.04980	5.9
71.43861	1.5
71.44195	1.5
72.08162	1.9
73.02910	3.4
79.05476	4.8
81.03423	7.8
81.07063	5.7
83.04988	12.9
84.04492	1.6
85.02905	39.6
87.04467	2.8
89.03912	3.3
91.03951	2.6
91.05474	9.7
93.07083	7.7
94.40279	1.4
95.04967	6.9
95.08596	4.8
97.02883	14.6
97.06517	3.5
97.87121	1.6
98.97546	2.0
99.04453	4.8
101.00861	1.6
103.05437	1.6
105.07035	14.9
107.04954	3.1
107.08593	9.7
109.02893	6.3
109.06503	4.3
109.10157	5.2
117.03413	3.6
117.06986	4.2
119.04972	2.1
119.08582	14.2
121.06507	9.0
121.10153	9.6
123.08057	3.8
123.11718	8.7
127.03918	10.2
128.06177	1.8
129.07014	2.2
131.08588	6.3
133.10143	13.2
135.04427	1.9
135.08043	4.9
135.11668	2.4
136.07581	5.1
137.05948	2.4
137.09657	7.5
141.06612	3.5
143.08553	3.1
145.02902	3.5
145.04955	11.6
145.10123	11.3
147.08012	6.9
147.11687	8.2
149.05928	3.9
149.09622	55.7
151.11191	34.2
156.09319	5.6
159.08061	3.6
159.11711	2.2
160.08844	3.6
161.09619	10.7
161.13229	5.3
163.03905	3.7
163.11188	33.4
165.09081	1.9
165.12762	1.8
171.11722	8.3
173.13293	3.3
174.10370	10.4
177.05489	21.0
177.06952	2.9
179.10696	9.9
182.82765	1.4
189.12743	46.6
191.14301	60.9
205.12274	4.7
207.13803	100.0
219.01653	2.1
303.14047	1.5
369.15033	11.3
369.19705	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	368.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07739	2.4
55.01875	7.4
55.05510	23.8
57.03446	3.0
57.07080	3.6
60.42725	2.7
67.05511	37.3
69.07075	24.3
71.04998	7.6
71.57720	3.7
71.58086	3.0
73.31227	2.7
79.05478	20.7
80.33418	2.6
81.07062	80.3
82.49834	2.5
83.04970	6.9
83.08629	14.6
85.06533	8.0
88.00549	2.7
89.55468	2.8
91.05495	25.9
93.07063	26.3
95.04988	3.4
95.08614	95.2
97.06525	17.8
97.10183	7.7
99.08096	3.0
101.18919	3.2
105.07037	24.9
107.08585	13.4
109.06556	4.3
109.10186	8.3
111.08073	6.0
115.07573	2.8
117.07047	3.6
119.08588	39.9
121.10149	11.4
123.08089	7.9
131.08549	3.9
133.10126	25.8
135.08144	2.6
135.11703	15.6
137.09631	4.2
137.13283	15.6
145.10126	5.6
147.11600	4.7
159.11676	4.9
161.13263	94.4
171.11603	4.5
179.14311	100.0
207.13863	12.1
211.16942	25.1
273.22256	5.3
291.23370	3.3
301.21655	15.4
319.22766	14.4
333.24191	6.1
368.42484	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	368.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69070	3.4
55.05516	20.8
56.05034	6.8
57.07058	10.9
60.08155	16.8
62.48363	3.5
67.05510	49.7
69.06744	2.8
69.07079	24.6
70.06585	8.2
71.04960	5.3
71.08624	6.0
71.55814	4.8
74.02448	42.6
79.05499	22.9
81.07056	48.5
82.06573	12.4
83.05018	5.7
83.08611	10.8
87.63732	3.3
91.05486	13.8
93.07040	27.9
94.06540	8.7
95.08620	33.9
98.06055	5.0
105.07024	16.6
107.08588	14.4
108.08126	4.1
109.10172	21.3
114.12815	4.8
119.08556	12.8
121.10147	14.1
123.11705	7.7
127.00798	3.7
131.08606	7.0
133.10092	13.1
145.10104	5.1
147.11670	6.4
149.13237	5.7
154.12227	17.5
157.10066	3.9
159.11743	4.1
161.13326	5.1
164.14345	7.4
187.11172	3.9
187.13138	4.2
240.16002	5.7
257.26697	3.8
261.98837	4.0
273.21942	4.9
290.24753	30.8
301.21585	4.0
308.25888	25.3
318.24310	21.3
322.27411	36.8
327.34436	17.0
330.63498	3.8
336.25323	24.6
350.26910	66.2
368.27917	38.2
368.38739	7.1
368.42566	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	7.2
55.05512	22.4
56.36501	2.9
56.86956	2.8
57.07064	3.0
60.08152	7.5
66.69503	3.0
67.05502	38.3
69.03433	4.1
69.06747	4.1
69.07059	21.6
71.04996	8.6
71.56746	4.6
71.57210	3.6
77.64545	2.8
79.05493	26.1
81.07054	89.8
83.04969	10.3
83.08630	15.4
83.09297	3.1
85.06519	4.1
91.05479	21.0
93.07037	35.4
95.04949	3.6
95.08607	100.0
97.06522	14.4
97.10158	6.5
98.72047	2.7
99.08093	4.0
105.07051	24.3
107.04958	4.6
107.08583	20.2
109.06526	7.2
109.10158	11.2
111.08081	6.0
115.07636	3.1
119.08586	46.9
119.09383	5.2
121.06516	5.0
121.10130	20.9
123.08066	6.2
131.08574	9.1
132.66676	2.8
133.10146	25.6
135.11662	18.5
137.09627	4.7
137.13242	17.2
145.10164	8.3
147.08034	3.9
147.11646	5.1
149.09550	3.0
155.10680	2.9
157.10025	4.6
159.11673	5.7
161.09618	3.9
161.13252	83.6
163.11186	3.0
163.32816	2.8
177.12782	3.9
179.14310	75.1
179.15840	5.1
189.12666	3.9
198.18546	9.8
207.13863	6.4
211.16902	17.5
257.17484	5.5
273.22107	9.6
291.23184	6.9
301.21628	24.1
319.22684	19.8
333.24200	13.7
367.49564	3.4
368.42468	27.1
387.40213	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	368.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
54.84210	1.2
55.01867	2.6
55.05510	12.1
56.05024	3.8
56.96562	4.6
57.07078	8.6
60.04526	6.8
61.02931	2.7
62.66638	1.2
67.05500	17.1
68.05016	2.1
69.03429	2.7
69.07077	8.9
69.70748	6.3
70.06582	3.1
70.07411	1.0
71.04972	1.2
71.08628	12.9
73.02905	4.3
74.09707	1.3
79.05498	11.4
80.05023	2.8
81.03406	1.9
81.07050	19.4
82.06573	3.7
83.04993	2.4
83.08629	8.4
85.02897	2.6
85.06549	1.6
85.10152	2.2
86.09665	1.2
88.65131	1.2
91.05484	6.5
93.07046	15.5
94.06553	5.3
95.04937	2.5
95.07346	1.9
95.08612	11.9
96.08129	1.9
97.02870	4.3
97.06535	2.1
97.10171	7.7
98.97589	5.5
99.08094	7.4
100.11250	13.2
101.73399	1.3
105.07022	7.6
106.06559	1.8
107.08595	13.6
108.08120	4.3
109.10135	6.1
112.99169	2.4
116.98611	1.8
119.08614	4.7
121.10138	5.2
122.09741	1.3
123.08123	1.8
123.11725	1.7
124.99111	1.4
125.09629	5.5
126.12769	3.3
129.06985	1.3
130.12286	1.2
131.00160	10.2
131.08597	1.8
133.10123	4.3
135.11685	5.2
138.12793	4.3
139.11198	1.3
140.14368	4.2
142.12221	2.8
145.10121	2.0
147.03055	4.2
147.11667	4.3
149.01237	19.2
149.13289	2.7
150.12782	2.1
151.11198	1.8
152.14331	5.0
154.12296	1.4
156.03658	5.5
157.10103	1.5
158.99641	2.5
161.13272	4.3
163.11212	2.3
163.14839	2.2
164.14308	1.9
165.12733	1.5
167.02252	1.9
167.54433	2.2
171.11699	2.2
175.14934	1.8
177.00705	2.5
177.12778	3.4
182.15504	2.0
191.02295	3.9
193.12288	1.3
203.02309	3.3
203.12845	3.3
212.16467	1.5
217.03853	1.5
217.19548	1.2
219.05354	1.7
224.16524	2.2
228.05743	2.1
232.96582	1.4
233.03450	1.5
236.16455	1.5
238.18066	1.3
241.19481	1.8
246.22079	1.5
258.21960	1.9
259.20694	9.0
266.14532	9.5
266.64832	2.2
274.21646	8.6
276.23212	18.7
277.21576	10.0
286.65952	1.7
291.20187	2.1
291.23166	14.4
293.05429	5.9
294.24243	2.1
306.24261	8.6
308.25824	100.0
309.24182	1.9
311.06567	2.7
313.20389	1.5
318.24203	3.8
346.65536	1.2
347.17215	63.6
347.67386	29.0
348.17657	3.9
350.26950	15.0
367.68591	13.3
368.18677	4.5
368.27985	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	22.5
61.29121	16.6
66.94344	15.5
67.05524	42.6
69.80347	100.0
79.05488	26.4
81.07069	41.5
83.08636	16.3
87.40010	20.8
91.05486	24.5
93.07059	49.9
94.07400	21.3
95.04936	33.1
95.08614	39.8
96.08926	33.6
98.20729	21.8
105.07029	64.6
106.07358	43.0
107.08600	45.5
109.10168	46.0
119.08572	70.1
120.08927	26.9
121.10168	40.7
131.08533	40.8
133.10098	36.0
134.10483	30.3
143.08501	25.1
145.10136	59.2
146.10556	26.7
157.10008	20.7
162.09882	24.2
179.06992	17.6
214.53128	18.9
224.71317	19.3
350.25983	26.3
368.27341	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	368.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11649	0.5
55.01864	1.4
55.05509	5.5
56.05030	2.7
57.07075	0.9
60.04513	3.0
64.25655	0.6
67.05503	4.5
69.07059	2.6
70.16293	1.7
71.08615	2.5
79.05493	3.9
80.05007	0.6
81.07063	5.4
82.06572	1.0
83.04978	1.2
83.08623	4.6
85.06527	0.6
85.10207	0.6
86.09731	0.7
91.05486	2.9
93.07043	4.1
94.06564	0.8
95.04932	1.1
95.08602	3.6
97.06527	1.1
97.10181	0.7
99.08092	2.0
100.11256	100.0
100.16770	0.5
105.07033	1.4
107.08595	3.0
109.10144	2.0
111.08080	0.8
111.11572	0.5
113.09650	0.7
116.58311	0.5
119.05302	0.5
119.08572	2.1
121.10149	1.8
125.09643	0.9
131.08530	0.6
133.10138	1.5
135.11673	1.9
138.12814	0.6
142.12271	28.8
145.10176	0.5
147.11726	1.0
149.09616	0.6
149.13272	0.8
151.11143	0.6
152.14429	0.7
154.12268	1.5
161.13263	0.9
163.11195	3.6
165.12813	0.9
175.14919	0.6
177.12729	4.8
179.14278	1.3
180.13873	1.2
194.15393	1.2
212.16489	3.2
219.75533	0.5
222.14906	0.8
226.18054	1.9
236.16634	0.6
241.19597	0.5
254.17549	1.3
259.20630	2.2
268.19016	0.7
276.23245	2.0
277.21652	6.2
291.23230	1.9
294.24283	1.9
306.24594	0.6
308.25800	6.2
309.23947	0.7
318.24347	2.0
322.27557	1.0
326.26797	1.4
336.25327	8.5
350.26874	2.1
368.28018	15.2
368.42175	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.9
55.05511	24.7
57.03430	3.5
57.07071	5.0
60.04512	10.4
65.03948	3.5
67.05507	32.1
69.07084	21.6
70.07404	3.7
71.08630	11.2
71.56737	6.9
75.73587	4.1
79.05087	4.4
79.05471	19.1
80.05021	4.8
80.78941	3.7
81.07062	44.0
82.06583	6.9
83.04960	8.5
83.08617	13.4
91.05461	17.9
93.07043	31.0
95.04977	41.9
95.08601	23.9
95.17509	4.2
96.08174	6.1
96.08987	3.6
97.06556	4.8
97.10135	10.5
98.97585	6.2
99.08081	9.3
100.11266	71.3
105.07050	13.0
107.08558	18.1
109.06498	13.8
109.10145	6.1
111.08031	4.0
113.05989	3.9
117.07005	4.8
119.08575	14.5
121.10127	11.2
123.08096	7.9
123.11674	5.8
125.09660	6.1
125.22044	3.8
126.12756	4.1
131.08543	9.7
133.10132	7.7
135.08035	10.9
135.11673	8.7
142.12279	17.1
143.08508	3.8
145.10130	7.5
147.11691	7.2
149.13200	6.4
150.12770	5.9
154.12180	4.8
159.11777	5.4
175.14882	5.7
177.12822	9.2
179.14297	4.8
195.11809	4.6
203.12720	5.7
232.96396	6.9
259.20609	8.2
273.18423	33.2
274.21747	8.1
276.20660	4.2
276.23138	17.7
277.21609	13.1
291.19766	7.2
291.23175	17.8
305.21136	35.4
306.24249	8.2
308.25806	100.0
309.24197	7.8
332.26605	12.4
350.27518	34.2
368.27979	98.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	52.6
56.98196	32.0
61.28674	33.4
64.55036	33.0
67.05507	60.7
69.07071	65.0
71.56567	37.7
71.57021	59.9
79.05489	39.5
81.07044	100.0
83.08607	56.1
84.66747	38.2
91.05479	99.4
93.07039	51.6
95.08669	47.5
99.08048	38.4
102.07575	34.9
119.08618	41.4
120.38506	36.1
121.10174	51.2
133.10208	41.9
158.74890	34.1
166.78860	35.9
179.03366	35.0
208.41078	33.9
309.27765	89.1
368.27371	63.7
368.35333	93.0
368.42657	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.0
55.05512	6.7
57.03439	21.0
60.04530	2.5
67.05510	25.4
69.03457	2.5
69.07056	3.6
69.83493	5.5
69.83900	12.9
71.04974	4.0
77.55549	2.8
79.05481	9.6
81.07056	13.7
83.08624	2.9
85.06558	23.9
91.05476	10.9
93.07049	17.2
95.04969	41.1
95.08612	7.4
98.20875	2.9
105.07027	10.9
107.04955	7.2
107.08587	8.4
109.06524	29.9
113.06012	100.0
117.07020	5.5
118.43089	2.5
119.08604	8.3
121.10227	3.0
123.08044	3.7
129.07010	6.3
131.08540	7.0
133.10110	7.7
135.08066	27.8
135.11687	6.8
145.10101	5.2
149.09644	4.7
149.13234	3.1
159.11679	3.4
186.77208	2.7
195.11636	3.9
217.15921	5.7
232.96425	3.0
273.18509	26.9
276.23260	3.8
291.19568	82.7
291.22928	5.6
305.21216	20.9
308.25824	14.5
309.24179	2.4
323.22089	3.3
368.27762	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	368.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44543	0.3
53.03951	0.4
56.96546	0.3
57.03425	0.6
60.49856	0.3
61.02926	0.7
65.90910	0.2
69.03431	2.0
70.67250	0.8
71.05019	0.4
72.57881	0.3
73.02930	0.6
75.71354	0.3
81.03436	0.8
83.50445	0.3
85.02906	5.7
87.04485	0.4
87.21689	0.3
97.02912	1.8
99.04467	0.3
104.42731	0.3
125.37822	0.3
127.03932	1.1
132.04453	6.1
145.05029	1.7
152.63593	0.3
160.03975	1.0
173.05470	0.3
178.04997	57.6
179.05357	0.5
180.05266	0.3
206.04488	100.0
207.04832	0.9
368.09521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.7
55.01854	7.8
55.05499	4.6
56.96570	7.9
57.03433	9.0
61.02903	8.4
69.03445	28.8
71.04976	10.8
71.55338	6.3
72.08158	9.3
73.02915	5.9
78.07263	5.1
81.03419	29.7
81.07044	7.5
82.80718	5.0
83.05006	6.3
85.02914	100.0
85.06548	52.2
87.00826	25.1
89.32007	4.4
92.31257	5.8
97.02904	60.3
97.98479	5.6
98.97599	24.9
99.04447	14.2
103.07587	5.9
104.56155	5.5
105.01862	42.4
107.83838	5.5
109.02869	20.7
116.98605	7.3
127.03922	94.8
130.13516	5.9
137.05977	8.3
145.04961	60.2
153.09134	8.3
158.99684	10.7
159.02890	15.7
171.10147	16.3
178.05051	6.7
190.99915	5.0
206.04474	20.4
207.13492	5.1
210.11247	6.8
219.01884	6.6
231.05028	16.6
237.02760	7.1
310.42532	4.9
354.45209	4.8
368.08441	5.8
369.12033	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	367.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
55.01866	7.4
55.05508	25.2
57.07076	9.7
57.99439	3.5
62.63949	2.8
62.98227	3.2
65.03928	5.3
66.64329	3.4
67.05504	35.2
69.03440	4.2
69.07066	27.8
69.19890	34.9
71.04977	7.8
79.05492	40.9
81.07056	53.5
83.04971	6.8
83.08622	12.6
85.06529	11.3
91.05481	62.2
93.07043	79.5
95.04976	36.5
95.08057	5.2
95.08608	66.6
97.06525	13.3
97.10189	3.6
98.21548	7.1
100.11265	8.9
101.11595	4.3
103.05479	4.1
103.67751	3.0
105.07028	83.0
106.07838	3.8
107.08591	69.2
109.06524	17.1
109.10149	43.0
111.08077	6.8
114.12819	7.5
115.05462	4.9
115.13110	5.1
117.07030	18.9
119.08578	100.0
121.06503	10.7
121.10144	50.9
123.08058	9.9
123.11700	16.3
125.09656	4.0
128.06259	9.7
129.06961	17.7
130.07785	8.1
131.08566	52.0
133.10132	65.5
135.08044	18.7
135.11674	20.6
137.09601	7.3
140.10690	10.3
141.11015	5.9
142.07782	14.9
143.08577	40.7
144.09312	9.4
145.10115	73.3
145.27684	4.1
146.07207	4.0
147.08055	12.3
147.11688	20.5
149.09567	16.9
149.13239	6.7
153.06937	4.0
154.07848	4.6
155.08571	11.3
156.09334	14.5
157.10107	52.6
157.11299	3.9
158.10899	7.8
159.08061	9.5
159.11708	47.7
161.09607	50.5
161.13292	8.0
163.11169	3.5
163.14818	4.0
166.07677	4.1
167.08589	6.3
168.09346	4.5
169.10118	20.3
170.10922	9.9
171.11714	28.6
172.12399	5.0
173.09628	7.0
173.13251	31.9
175.11195	10.9
175.14813	14.6
179.08548	6.0
181.10112	9.4
183.11670	23.2
184.12439	5.3
185.09474	4.1
185.13274	17.8
187.11182	3.7
187.14864	13.9
189.05467	6.7
189.12669	4.1
193.10143	5.7
194.10904	7.6
195.11658	10.6
197.13246	18.2
199.14825	13.6
201.12798	5.8
201.16417	7.9
205.15845	4.4
207.11606	4.7
209.13232	22.6
210.14099	4.0
211.14769	6.2
213.12733	4.2
213.16492	7.5
221.13174	4.9
223.14783	5.7
225.16347	5.5
227.14256	17.7
235.14861	6.0
237.16406	5.0
239.17804	8.6
249.16194	4.3
251.17967	3.7
255.17490	11.0
267.17395	4.6
275.20010	4.5
308.22900	10.2
349.25119	10.5
367.21823	4.4
367.26318	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	367.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01080	3.0
53.03946	5.3
55.05513	19.0
57.07060	10.8
58.03941	2.9
67.05184	3.6
67.05513	39.4
69.03420	7.6
69.07077	18.2
69.99135	11.8
71.04988	6.8
75.84700	2.5
79.05499	38.3
81.07059	46.4
83.04972	4.4
83.08600	10.5
85.06549	4.6
91.05483	55.4
93.07047	72.2
95.04967	32.4
95.08608	52.4
97.06509	14.6
98.20875	3.5
103.05463	5.2
105.07040	81.0
107.04945	3.2
107.08596	61.0
108.87303	3.0
109.06526	12.5
109.10153	37.5
111.08074	6.6
112.10863	2.5
117.07009	17.4
119.08588	100.0
121.06498	9.4
121.10139	47.0
123.08058	5.5
123.11713	11.9
128.06206	11.2
129.07005	18.1
130.07788	8.1
131.08568	52.0
132.09196	2.7
133.10132	51.4
135.08052	16.0
135.11687	22.4
137.09596	5.3
141.07007	6.8
142.07761	20.2
143.08569	35.3
144.09319	13.0
145.10126	62.7
146.07251	7.9
146.10912	3.2
147.08043	10.0
147.11707	21.7
149.09624	16.4
149.13228	7.5
155.08528	13.7
156.09328	12.6
157.10135	46.6
158.10843	3.6
158.29935	3.3
159.08080	5.8
159.11707	47.0
161.09616	40.1
161.13237	11.7
163.11165	5.4
163.14838	3.5
165.06992	4.1
166.07819	4.5
167.08546	5.7
168.09404	4.0
169.10176	19.8
170.10889	5.1
171.11664	27.4
173.09613	10.9
173.13293	29.7
175.11185	11.4
175.14850	17.5
179.08592	8.1
181.10130	14.1
182.10811	5.2
183.11717	20.5
185.13245	14.8
187.14780	17.2
193.10127	4.9
194.10963	7.7
195.11717	13.2
196.12282	3.4
197.13232	13.3
199.14856	15.4
201.12772	7.4
201.16412	7.9
203.14363	2.8
207.11813	6.0
208.12505	5.0
209.13289	21.5
211.14876	8.1
213.12773	6.1
213.16388	4.7
221.13298	4.2
223.14847	9.0
224.15572	4.5
227.14297	21.1
237.16496	4.2
239.17873	11.1
251.18005	6.1
255.17390	6.1
257.18854	4.7
265.19647	5.6
267.17715	4.1
293.19037	3.4
331.24368	3.1
349.25143	11.5
367.26505	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.0
55.01876	27.5
55.05270	2.1
55.05515	28.9
57.03441	12.2
57.03664	1.9
61.02911	2.0
65.03936	2.1
67.05506	43.6
69.03406	2.2
69.07072	31.3
69.75378	4.6
69.75797	8.0
70.07397	2.1
71.04996	3.6
79.05493	55.8
81.03397	3.6
81.06591	2.5
81.07056	43.8
83.04965	8.1
83.08633	14.1
85.06504	2.9
91.05476	39.5
93.07040	39.9
95.01322	2.6
95.04955	9.2
95.08615	24.7
97.06528	40.4
97.10160	12.1
98.21425	2.6
105.07037	41.1
107.04945	23.1
107.07867	3.7
107.08594	57.8
109.06513	5.4
109.10144	14.2
111.08112	4.2
117.07052	11.8
119.08593	25.2
121.06506	5.4
121.10159	17.5
123.08011	2.6
123.11670	4.3
125.09602	13.5
129.06979	4.2
131.08543	13.8
133.10152	21.6
135.08038	7.2
135.11682	6.6
137.09621	3.7
143.08554	3.0
145.10129	31.6
147.11673	13.7
149.09625	42.0
151.11177	2.5
157.10149	4.1
159.11685	15.3
161.13260	5.7
163.11163	15.8
171.10164	7.6
171.11549	4.1
173.11940	2.4
173.13181	10.9
177.12717	4.8
183.11662	2.3
183.34711	2.1
187.11105	4.0
189.11304	10.6
193.12137	2.5
197.13170	3.3
227.12724	12.5
229.19563	4.7
239.18002	7.1
243.10896	2.9
245.13818	9.3
247.20465	3.8
257.18979	16.1
275.20056	100.0
293.21216	3.9
349.23709	49.8
367.24704	17.1
375.46005	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50023	2.6
53.03941	4.1
55.01872	35.4
55.05508	25.4
57.03435	6.9
64.99166	2.5
65.03949	3.0
67.05508	40.2
69.07067	23.2
69.31552	2.2
69.31693	3.6
69.32108	19.4
71.10104	2.4
79.05494	42.8
81.03426	3.8
81.07066	43.0
83.04990	4.3
83.08624	10.6
91.05478	27.0
93.07041	36.4
95.04972	10.1
95.08609	26.5
97.06532	43.7
97.10166	13.0
98.20756	3.9
105.07031	35.2
107.04962	21.3
107.08595	43.8
109.06514	6.6
109.10175	21.2
111.08112	5.6
117.07016	10.5
119.08582	23.7
121.06570	2.6
121.10151	15.7
123.08111	2.9
123.11696	7.7
125.09631	10.3
131.08559	16.1
133.10143	22.2
135.08087	7.7
135.11705	9.9
137.09624	4.5
143.08556	4.5
145.10129	30.3
147.11707	12.9
148.13177	2.4
149.09615	36.0
149.13257	5.0
151.11092	2.9
157.10185	5.4
159.11688	13.7
161.13214	5.1
163.11232	16.4
165.12784	2.8
169.10152	4.2
171.10152	8.2
171.11555	3.5
173.13229	7.4
177.12767	3.7
183.11702	4.8
187.11186	3.3
189.11267	8.7
227.12807	10.4
229.19415	3.5
239.18004	10.8
245.13783	6.0
247.20700	3.5
253.18115	3.4
254.24722	2.8
257.19034	19.5
275.20059	100.0
275.30609	2.3
293.21130	6.6
297.23001	2.8
301.06976	2.8
349.23755	49.7
367.24799	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
53.45218	2.7
54.75628	2.3
55.01635	3.0
55.01875	33.2
55.05516	34.8
57.03441	20.8
57.07058	3.4
65.74444	2.2
65.77187	2.1
67.05183	3.7
67.05509	65.5
69.03430	3.6
69.07068	34.7
71.00278	4.2
71.00626	3.6
74.25742	2.3
79.05495	67.7
81.03412	5.8
81.06588	5.4
81.07057	97.5
83.04982	10.0
83.08614	14.0
85.06516	6.7
91.05485	46.9
93.07042	51.4
95.04964	11.8
95.08602	46.0
97.06526	38.2
97.10179	12.2
99.08058	2.6
105.07035	48.9
107.04961	21.7
107.08594	62.6
109.06509	10.8
109.10162	23.9
111.08067	4.5
117.07039	16.1
119.08578	41.7
121.06546	4.1
121.10163	20.5
123.08092	6.8
123.11695	12.3
125.09633	13.0
129.07013	3.7
131.08549	20.7
133.10130	33.5
133.65448	2.5
135.08064	7.2
135.11697	14.4
137.09601	6.9
143.08572	5.2
145.10115	32.2
147.11697	26.4
149.09641	34.6
149.13281	8.2
151.11168	7.4
157.10109	3.9
159.11690	17.3
161.13246	6.1
163.11150	13.7
165.09129	2.5
165.12764	7.6
169.10048	3.1
171.10146	6.6
171.11594	4.2
173.11868	3.1
173.13251	5.9
177.12730	4.1
181.12262	3.1
183.11642	3.1
189.11165	6.8
195.13762	2.8
227.12756	7.9
229.07367	4.3
229.19469	4.8
239.17918	11.4
245.13780	3.5
247.08311	3.1
247.20520	7.5
251.19937	2.8
253.18074	3.9
255.16191	3.3
257.18976	21.6
262.54419	2.7
275.20065	100.0
279.58859	3.0
291.01804	2.8
293.21121	6.0
349.23734	50.5
350.24048	3.7
367.17642	5.2
367.24768	45.7
385.19046	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17968	1.6
53.03946	2.6
55.01627	2.5
55.01875	39.2
55.05261	2.6
55.05510	26.2
57.03444	8.2
65.03961	1.9
67.05510	43.2
69.03416	3.3
69.07069	23.1
69.31871	3.8
69.32272	9.8
71.05004	3.1
79.05495	49.6
81.03415	5.3
81.07063	41.9
83.04991	6.4
83.08620	9.8
85.06548	3.1
91.05482	38.0
93.07055	36.3
95.01336	2.9
95.04974	9.4
95.08607	26.4
97.06538	54.9
97.10178	9.9
99.08099	2.9
105.06404	1.4
105.07037	38.0
107.04964	25.3
107.08601	51.2
109.06516	5.0
109.10163	14.8
111.08083	5.2
116.24585	1.6
117.07011	13.6
119.08590	27.9
121.06499	3.7
121.10141	14.4
123.08069	6.1
123.11731	4.0
125.09632	13.0
129.07016	3.9
130.42117	1.7
131.08568	17.6
133.10149	25.4
135.08063	8.6
135.11697	9.7
137.09662	3.1
137.13251	2.2
139.78487	1.7
141.07011	4.7
143.08588	4.2
145.06483	1.8
145.10147	25.1
147.11679	17.3
149.09622	45.6
149.13287	5.0
151.11172	3.0
157.10165	5.2
159.11713	13.5
161.09674	4.3
161.13284	5.7
163.11200	16.7
165.12679	2.6
169.10117	3.1
171.10187	7.6
171.11696	6.9
173.11850	2.5
173.13271	7.7
174.88383	1.7
177.12749	5.1
178.60226	2.0
179.14352	4.0
183.11676	3.7
185.13194	2.8
187.11217	4.2
189.11198	7.9
191.14342	2.8
193.12218	1.9
195.13750	1.7
197.13248	2.8
205.12263	2.0
215.18114	2.4
227.12807	7.8
227.56973	1.7
229.19518	4.8
239.17943	9.4
245.13960	4.9
247.20604	6.4
253.17937	3.1
257.19000	16.3
275.20065	100.0
276.20444	3.1
293.21118	6.3
349.19778	3.2
349.23752	50.1
367.17502	1.8
367.24716	21.1
368.24524	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	367.2476
Annotation	Betaenone A
Peak:m/z	Relative Intensity
53.03932	3.5
55.01873	18.2
55.05511	13.3
56.96555	2.3
57.03427	4.2
60.04499	2.2
64.55290	1.7
65.03934	2.1
67.05513	25.1
69.07061	21.2
69.87329	9.1
71.08610	3.7
72.52863	1.6
79.05494	19.2
80.04990	5.9
81.03432	8.7
81.07067	31.1
83.04934	4.9
83.08584	6.4
85.06516	3.5
91.05486	26.0
93.07047	22.3
95.01298	5.4
95.04992	8.5
95.08613	22.9
97.06541	26.5
97.10153	4.1
98.21482	3.7
99.08054	4.0
105.07035	39.8
107.04974	11.3
107.08594	11.3
108.08895	2.3
109.06519	3.2
109.10117	6.0
117.06976	7.1
119.08603	20.3
121.06459	3.7
121.10075	6.5
123.08047	2.0
125.09555	5.2
125.58889	1.6
127.94652	1.6
131.08580	13.7
133.10149	19.5
135.07953	2.0
135.11647	4.7
145.10132	10.4
147.11584	7.9
149.09558	7.5
149.13196	2.3
152.20439	2.1
157.10086	2.6
159.11618	7.4
161.13219	4.2
162.77087	1.8
163.11066	5.2
173.13136	2.7
177.12656	3.5
179.14211	6.0
187.11072	2.1
220.42931	1.9
229.07448	1.8
239.17889	2.5
242.47830	2.0
247.20419	3.5
257.18964	3.5
258.19290	1.9
275.17352	3.2
275.20062	41.2
290.21857	3.1
293.21078	19.5
306.78244	1.8
307.24603	13.8
349.23672	24.2
367.17331	5.5
367.24380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93251	0.7
53.03938	1.9
55.01875	5.6
55.05512	22.9
57.03437	8.5
57.07077	1.2
59.04997	1.0
59.86391	0.7
67.05507	20.9
68.05829	0.8
69.03418	2.5
69.07069	23.6
69.64996	3.3
71.04997	1.5
71.08634	26.6
79.05067	1.2
79.05495	15.9
80.05011	1.0
81.03428	4.5
81.07057	16.7
83.04977	3.8
83.08617	8.9
85.02929	0.9
85.06538	1.0
91.05485	8.9
93.07036	11.3
95.04981	5.0
95.08609	8.0
97.06518	2.1
97.10178	10.0
99.08098	18.0
105.07029	6.2
107.04945	3.1
107.08592	9.9
109.06534	2.6
109.10151	7.3
111.04425	0.7
111.08097	0.9
117.07021	2.4
119.08569	4.3
121.06517	2.8
121.10098	4.3
123.08101	1.9
123.11700	0.9
125.09640	7.6
125.35874	0.7
131.08569	3.6
133.10106	3.4
135.08066	1.7
135.11734	3.4
135.62932	0.6
139.11186	2.0
142.29463	0.6
143.08572	1.6
145.10089	2.0
147.11685	2.4
149.09598	2.0
149.13232	1.5
151.11168	2.1
153.09102	0.9
157.10077	0.9
159.11723	1.6
161.09644	0.9
163.11191	2.1
164.11932	1.1
165.12708	1.4
167.10689	3.1
167.14175	0.7
171.10149	0.9
171.11665	1.2
173.13246	1.6
177.12755	1.8
179.10661	0.9
183.11691	1.1
189.05515	4.0
189.11229	4.6
191.14134	0.8
197.13342	1.2
211.14781	0.9
217.10146	0.7
237.14650	0.9
237.17015	0.9
247.20424	1.0
265.21564	1.4
271.06219	0.9
272.18335	0.7
274.96124	0.8
275.20044	8.9
290.22037	1.3
293.21106	100.0
294.21317	1.2
307.24722	3.3
328.96997	0.7
349.14371	0.9
367.24765	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2467
Annotation	2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate
Peak:m/z	Relative Intensity
52.19919	0.4
53.03933	0.8
55.01859	1.8
55.05510	2.9
57.03425	1.5
58.64000	0.4
66.69755	0.4
67.05224	0.4
67.05511	5.0
69.03438	0.7
69.07064	2.7
69.30946	3.9
79.05490	3.8
80.04995	1.3
81.07061	6.0
83.04961	0.9
83.08615	1.0
85.06503	0.5
91.05486	4.1
93.07051	5.1
93.63662	0.5
94.07312	0.4
95.04980	0.8
95.08619	3.5
95.09139	0.8
97.06536	3.3
98.21378	1.9
99.08076	1.0
105.07034	3.4
107.04945	1.1
107.08603	2.8
109.06483	0.8
109.10134	1.7
116.54881	0.4
117.06999	1.8
119.08571	3.8
121.06491	0.8
121.10149	1.6
125.09605	0.8
129.89539	0.5
131.08571	2.3
133.10118	3.2
135.08087	1.0
135.11722	1.1
137.09579	0.6
145.10080	1.6
147.11696	1.3
149.09625	2.1
149.13181	0.6
151.11195	0.6
159.11658	1.5
163.11163	1.3
173.13229	0.6
179.06090	0.5
219.17436	3.4
229.07750	0.5
239.18169	0.6
247.20570	0.5
257.18939	1.5
257.65097	0.5
275.20044	6.0
293.21106	2.0
307.24686	3.1
349.23666	3.9
367.24515	100.0
368.24725	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	367.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.4
55.01874	6.0
55.05513	56.9
56.96552	6.2
57.03425	6.7
61.02924	10.4
61.16632	2.3
68.99788	5.4
69.03436	33.1
69.07072	3.3
69.86923	5.9
69.87337	7.4
70.06588	9.3
71.04987	4.6
73.02915	5.0
79.05477	3.6
81.03418	15.2
81.07063	6.1
83.08621	100.0
84.08144	5.8
85.02908	74.7
86.09667	3.0
87.00842	26.0
91.03957	2.8
91.05480	3.4
93.07059	3.5
97.02888	27.5
97.06544	5.6
98.97570	14.7
99.04448	6.3
101.09656	82.0
103.03937	4.9
105.01872	34.4
109.02874	16.6
116.01617	2.6
116.98644	5.5
119.10684	14.2
121.02872	7.7
121.10133	2.6
122.06081	3.2
123.88516	2.3
127.03922	37.7
135.08017	2.3
136.07574	3.1
137.06001	3.0
139.10973	2.3
145.04973	16.8
147.09142	3.6
157.15440	2.3
158.99692	6.5
159.02904	4.7
163.03920	7.3
164.07137	4.0
166.05023	2.8
168.06561	3.9
177.00658	4.4
182.08144	5.2
199.62750	2.5
201.00790	2.5
205.08643	3.1
231.04993	7.2
232.06699	7.3
236.59282	2.3
257.03653	2.4
261.10577	9.1
271.10657	3.2
277.08731	3.0
281.14917	3.9
282.08289	3.0
284.04749	3.4
295.13770	3.0
335.12308	4.2
349.13956	2.8
367.07510	2.9
367.13666	17.9
389.14304	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	367.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99281	1.2
52.16121	1.2
53.03951	3.1
55.01863	3.8
57.03426	5.8
57.07074	3.5
61.02919	6.2
66.34295	1.3
67.05495	3.8
69.03431	42.3
69.07065	1.7
70.06605	2.2
70.88545	1.5
70.88865	2.7
71.04985	5.2
73.02908	3.6
77.34980	1.4
79.05503	2.5
81.03416	17.0
81.07044	6.0
85.02907	100.0
87.00830	56.0
87.04460	1.5
91.05463	2.0
93.07055	2.8
95.08629	6.3
97.02895	24.4
97.06554	2.3
98.97584	1.8
99.04462	8.2
105.01868	74.4
107.08607	1.9
109.02876	21.7
109.10148	3.2
119.10673	3.3
127.02974	3.1
127.03918	62.9
129.01878	1.9
141.13434	1.4
145.04974	20.2
153.05429	2.8
159.02872	5.8
189.03883	3.5
213.03928	1.8
221.25809	1.3
231.05003	13.5
259.08502	2.7
305.18475	3.2
323.19412	2.1
367.21613	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	367.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.0
55.01875	3.0
55.05516	45.8
56.96564	8.4
57.03440	7.5
61.02927	5.6
61.50257	1.8
61.99132	1.8
66.25928	2.3
67.05499	2.6
67.56702	1.9
68.99796	6.6
69.03434	31.8
69.07080	2.8
70.06594	6.6
70.72383	1.7
71.05005	4.2
71.16457	3.0
71.16779	2.5
72.08148	2.8
73.02919	4.2
79.05513	4.3
80.04953	1.9
81.03429	16.4
81.07056	6.2
83.04987	2.3
83.08620	100.0
84.04501	3.6
84.08147	5.3
85.02909	71.1
86.09685	3.6
87.00825	27.8
87.04469	3.8
91.03962	2.7
91.05485	6.2
93.07037	3.2
93.56873	2.2
97.02899	23.2
97.06557	5.4
98.97598	16.0
99.04471	8.7
101.09660	82.4
103.03960	5.7
105.01869	36.2
107.08612	2.4
108.04488	2.8
109.02887	16.1
109.10158	4.9
110.07178	2.5
115.05482	2.8
116.98630	4.7
119.04978	2.5
119.10689	17.7
121.02878	8.7
123.11739	2.2
127.03926	39.4
128.98570	2.4
131.08540	2.8
135.08098	2.4
137.05925	4.0
145.04970	13.8
147.04474	2.6
147.09241	3.6
151.11176	2.0
158.99611	4.5
159.02876	2.3
163.03926	5.7
182.08145	4.3
200.04506	2.5
203.04984	2.4
211.02881	2.2
219.01810	2.8
231.05049	5.8
232.06683	5.8
237.02975	2.9
246.11151	2.2
261.10568	11.4
266.04520	4.4
266.43002	2.1
271.10742	3.9
278.04373	2.2
281.14981	4.7
284.04556	4.2
287.10175	2.1
289.12231	2.6
293.05081	4.8
295.13678	3.0
335.12390	3.0
349.13907	4.6
367.13141	12.9
367.20837	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	366.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	1.5
53.48589	1.3
55.01857	1.9
55.05513	14.2
56.05025	3.6
56.47649	1.5
58.06582	3.2
60.04521	14.2
61.63674	1.3
66.12830	1.3
67.05505	17.7
68.05003	2.7
69.03419	2.1
69.06729	1.6
69.07073	17.3
70.06588	2.8
70.64671	3.4
70.65028	2.1
79.05494	20.4
80.05021	24.0
81.03393	1.8
81.06635	2.2
81.07058	19.8
82.06572	4.6
83.04977	1.5
83.08612	5.6
85.06511	2.1
86.74122	1.4
91.05477	18.9
93.07039	18.0
94.06581	11.8
95.04965	3.6
95.08615	10.4
96.08132	4.5
97.06527	2.8
97.10193	7.2
98.09679	10.8
100.07599	1.7
105.07033	17.4
107.04996	2.0
107.08588	22.0
107.15840	1.7
108.08112	6.1
109.06532	1.8
109.10146	5.5
111.08083	2.3
117.07003	3.5
118.48233	1.4
119.08586	18.3
120.08123	1.7
121.10154	10.9
122.09683	2.6
124.11244	2.4
125.09641	7.4
131.08548	5.3
133.10143	15.2
134.09654	2.6
135.08063	3.7
135.11650	3.3
136.11195	3.6
137.09631	2.0
140.10713	5.6
145.10123	10.7
147.11679	8.2
148.11259	1.8
149.09605	2.6
152.14043	1.5
153.09079	3.0
154.12259	1.8
157.10144	2.3
157.12260	1.6
159.11685	5.3
161.13278	4.1
163.11153	4.9
171.11708	1.6
176.14470	1.7
177.12724	4.7
180.13863	2.3
183.11752	1.8
192.13754	1.6
203.12819	5.7
204.13858	9.9
206.15446	5.5
222.14943	1.7
224.16512	2.7
229.19640	1.7
232.16972	1.8
236.16423	15.3
238.18004	5.3
239.18027	2.9
257.19055	9.2
274.21796	7.5
275.20065	11.8
289.21625	21.5
292.22754	1.5
304.22748	3.7
306.24265	61.9
307.22467	3.7
315.28088	1.8
316.22867	2.4
324.25107	2.1
334.23654	1.8
348.25229	13.3
349.98972	1.5
366.26416	100.0
367.26669	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	366.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24981	4.8
53.03937	10.5
55.05506	35.9
56.05017	8.8
66.03807	4.5
67.05505	79.9
68.05006	6.2
69.03421	5.7
69.07077	32.6
70.06595	9.6
71.56265	5.0
72.08143	6.1
73.01025	5.3
74.02439	55.9
74.36922	4.7
79.05494	66.6
80.05016	16.6
81.07059	91.9
81.33644	4.3
82.06605	25.0
83.08622	10.4
84.04467	6.0
84.08116	10.4
85.06545	7.0
85.86932	5.5
91.05481	49.3
93.05777	15.7
93.07043	71.6
94.06550	26.2
95.04974	10.2
95.08609	56.0
96.05313	4.5
96.08090	5.2
97.06489	11.9
98.09721	5.2
98.98529	4.6
105.07033	55.4
106.06540	8.0
107.08607	35.9
108.08123	12.0
109.06491	9.0
109.10142	20.1
110.06030	6.1
110.09666	5.8
111.08108	9.9
112.07573	7.6
117.07026	10.2
119.08572	35.4
120.08070	7.1
121.10126	26.5
122.09651	21.8
123.08038	5.0
123.11724	8.2
124.11245	7.6
125.09645	6.6
129.06938	7.2
130.67651	4.7
131.08595	23.9
133.06512	8.6
133.10127	17.5
134.09650	6.3
135.08063	6.0
135.11700	12.0
136.11171	8.1
140.10637	6.2
143.08549	8.7
143.37540	4.7
145.10095	16.9
147.11642	14.9
149.13274	8.3
150.09212	6.8
151.11168	5.0
152.10756	11.6
157.10092	8.2
159.11710	9.4
160.11217	6.4
161.13255	6.6
162.12715	6.1
171.11658	8.7
173.13217	5.6
175.11232	6.3
189.05426	10.3
189.12778	5.6
250.17923	5.6
271.20425	5.6
288.23230	28.8
290.21109	9.7
298.21677	6.5
299.20074	6.1
303.23019	5.1
306.24268	37.3
316.19293	5.5
316.22690	23.3
320.25894	25.2
334.23676	33.3
348.21628	5.9
348.25342	100.0
366.22122	4.7
366.26318	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0366
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62929	1.1
60.38096	1.0
64.57106	1.1
64.80041	1.3
69.82843	2.1
69.83257	4.3
92.28316	1.0
98.20792	1.2
98.64393	1.2
98.97575	3.9
105.51266	1.3
116.98647	2.2
119.01891	2.2
146.36958	1.0
177.00891	5.3
196.67145	1.2
216.98820	5.3
219.01996	10.1
222.97806	2.3
235.00012	8.0
240.99001	11.8
243.02020	2.1
259.00009	32.7
260.00244	1.7
261.03046	20.8
262.03143	1.3
264.99005	3.7
274.97388	1.2
277.01044	16.7
282.99979	83.0
284.00131	2.3
292.98599	1.4
301.01053	100.0
302.01212	4.2
319.02029	3.1
325.01041	12.1
343.02115	70.1
344.02078	1.5
361.03168	16.1
366.03925	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.05507	3.8
56.05045	5.2
56.96560	3.3
57.03429	2.4
61.02930	1.5
61.68476	0.9
62.21347	0.9
67.05505	7.5
69.03434	5.6
69.07054	2.3
69.64657	0.8
70.06581	2.6
70.67185	2.0
71.04985	2.2
72.52191	1.1
73.02925	1.8
79.05491	2.5
81.03414	2.8
81.07061	19.5
84.08156	1.4
85.02909	14.8
95.04988	1.4
95.08598	2.3
97.02901	4.8
97.06522	0.9
98.97593	5.1
102.98809	1.0
109.02887	1.3
110.97567	1.1
116.98637	1.1
123.08044	1.0
123.11725	4.7
126.05505	1.1
127.03938	2.8
130.06537	0.9
140.14349	11.9
141.09154	1.3
145.04991	1.9
146.05956	1.0
153.05403	1.0
158.15410	100.0
158.99667	1.9
159.10159	4.2
169.08662	1.7
170.41000	1.1
186.14940	3.0
187.09679	1.5
204.15956	95.8
205.16209	0.9
219.01823	1.1
225.57211	2.0
229.00148	1.1
237.03195	1.5
246.16985	1.1
294.13342	1.9
299.82639	1.1
348.19940	1.1
366.05731	2.8
366.10837	3.1
366.21381	1.1
367.10022	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	366.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45554	0.5
53.03941	0.8
55.01863	2.6
55.05513	17.7
56.05027	1.8
57.07086	1.4
59.05002	0.8
60.04512	1.7
67.05508	12.3
68.05010	0.6
69.03427	2.0
69.07063	4.2
69.90427	3.0
70.06588	0.9
71.08624	1.4
76.91498	0.6
79.05496	11.1
80.05030	1.5
81.03388	1.3
81.07060	12.6
82.06570	1.7
83.04968	2.6
83.08629	10.3
84.08145	3.6
85.06541	1.0
88.41431	0.6
91.05489	3.5
93.07040	6.3
94.06557	1.8
95.04977	7.3
95.08594	4.0
96.04492	1.2
97.06549	0.8
97.10172	16.9
100.11252	0.6
105.07048	3.2
106.06544	0.7
107.04954	5.1
107.08608	9.9
108.08162	0.6
109.06522	1.9
109.10142	3.1
110.06057	1.0
111.08060	1.5
112.11248	0.8
117.06992	2.9
119.08586	3.0
120.08105	0.6
121.06497	2.2
121.10143	1.8
123.08055	1.7
123.11687	1.4
124.11337	0.8
125.09633	15.2
126.12742	0.7
131.08554	1.9
133.10188	1.0
135.08032	2.6
135.11708	1.9
138.12801	2.0
140.14346	17.7
143.08482	0.9
145.10139	2.6
147.08061	0.7
147.11711	1.2
149.09648	2.3
153.09065	1.8
154.12274	6.8
157.10135	0.7
159.11690	1.8
161.09630	0.7
162.12819	0.9
163.11195	3.5
164.14337	1.0
165.12741	1.7
166.12311	1.3
173.13277	1.0
176.14282	0.8
177.12781	1.9
180.13870	2.4
181.12251	1.4
182.15399	3.6
183.11852	0.6
187.11215	1.3
203.12825	2.0
205.12177	1.0
207.13879	1.0
208.13307	2.5
226.05943	0.7
229.19591	0.8
236.16391	1.6
237.14757	1.3
239.17970	0.8
240.15964	1.2
246.22145	1.1
247.20685	0.9
257.19183	0.7
264.23215	1.1
272.10358	0.7
274.21582	4.9
275.20029	8.1
292.22708	11.7
293.21173	2.9
306.24249	10.1
307.22665	22.9
324.25351	13.8
334.23904	4.7
348.25153	1.4
366.26404	100.0
367.26773	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	365.2687
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
53.98241	0.3
55.01881	0.5
55.05510	2.1
56.57797	0.3
56.96566	0.5
57.07080	3.3
65.03954	0.4
67.05513	2.6
69.03427	0.8
69.07075	1.6
70.71082	0.8
71.04993	0.3
79.05489	2.4
81.07066	3.6
83.04980	0.9
83.08633	1.3
83.65079	0.3
85.06563	2.0
89.73259	0.3
91.05485	3.0
93.07048	4.3
95.04968	3.9
95.08611	3.8
97.06532	1.5
97.10139	0.5
105.07028	4.4
107.08595	4.4
109.06527	2.4
109.10162	2.0
116.98663	0.4
117.07067	0.9
119.08577	4.8
121.06538	0.7
121.10150	2.2
123.08080	3.1
123.11720	0.5
124.08845	1.5
128.06261	0.7
129.07036	1.0
130.07793	0.4
131.08578	2.3
133.10138	2.3
135.08075	2.2
135.11728	1.1
137.06021	0.7
137.09666	0.6
141.06993	0.6
142.07822	1.2
143.08560	2.6
144.09392	1.1
145.10138	3.4
147.08064	1.0
147.11716	1.0
149.09596	0.5
149.13303	0.4
151.07567	3.5
152.08336	6.2
155.08589	1.0
156.09418	1.0
157.10155	3.1
158.10899	0.4
159.08153	0.3
159.11671	2.8
161.09648	0.7
161.13278	1.0
163.11246	0.3
165.07056	0.4
165.09111	7.5
165.12848	0.6
166.09917	0.6
167.08698	0.4
168.09378	0.7
169.10138	1.9
170.05191	0.3
170.10947	0.7
171.11662	2.0
172.12329	0.5
173.09656	0.9
173.13289	1.2
175.11214	0.7
175.14867	0.5
177.12827	0.6
179.08592	0.7
179.10652	1.8
180.09439	0.3
181.10158	1.2
181.12326	0.5
182.10962	1.2
183.11740	2.5
185.09644	0.3
185.13295	2.9
187.11238	1.0
187.14868	1.2
189.05519	0.5
191.14354	0.4
193.10229	1.1
194.11060	0.8
194.13087	3.3
195.11647	1.9
196.12531	0.6
197.13240	1.6
199.14828	0.8
201.12764	0.6
203.14458	0.6
205.10271	0.3
205.16022	0.9
206.10965	0.9
207.11745	1.3
207.13924	1.2
208.12486	0.7
209.13237	2.0
210.14091	0.5
211.11443	0.6
211.14859	0.8
213.12856	0.7
213.16496	0.4
219.11696	0.5
220.12561	0.4
221.13309	1.0
221.15306	0.6
223.14912	1.4
225.12866	0.6
227.14365	0.3
229.16057	0.4
233.13283	0.8
234.14014	0.4
235.11140	0.4
235.14818	1.1
235.16988	0.7
237.16457	0.9
239.14241	0.3
241.16003	0.5
246.14064	0.4
247.15022	0.5
249.16374	0.8
249.18631	0.7
251.17963	0.8
253.16074	0.5
255.17392	0.5
259.15012	0.6
263.17767	0.7
263.20175	2.0
265.16043	0.3
265.19485	0.4
267.17545	0.6
269.19055	0.7
275.20218	0.4
277.15692	0.3
281.19012	0.4
291.17288	0.5
303.17953	0.7
319.26483	1.1
347.26022	16.7
348.26303	0.4
365.26990	100.0
366.27222	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	365.2476
Annotation	Quinestrol
Peak:m/z	Relative Intensity
53.03945	1.8
54.63764	1.2
55.05514	8.1
57.07067	4.8
58.01636	1.2
59.05019	1.6
67.05509	17.1
69.03421	4.8
69.07078	8.0
71.04992	1.9
71.08655	1.4
79.05493	13.5
81.07055	15.4
83.04980	4.0
83.08620	5.9
85.06550	2.7
85.51704	1.2
91.05486	19.6
93.07048	22.7
93.07625	1.5
95.04971	27.6
95.08607	21.1
97.06530	4.1
97.10184	2.5
98.21557	2.4
103.05460	1.7
105.07028	31.5
105.07687	2.5
107.08606	20.6
108.08983	1.3
109.06530	5.9
109.10152	9.0
111.08102	1.5
115.05491	1.6
117.07035	8.4
119.08591	35.8
121.06500	3.4
121.10133	10.5
123.08085	3.2
123.11732	1.7
127.45011	1.2
128.06232	5.8
129.06995	9.3
130.07829	2.5
131.08563	15.4
133.10139	11.4
135.08081	11.3
135.11702	8.4
137.09630	2.1
141.07010	5.8
142.07788	14.1
143.08554	26.2
144.09341	5.2
145.10123	25.9
147.08058	4.6
147.11694	3.8
149.09616	2.6
149.13359	1.7
155.08572	8.9
156.09351	12.3
157.10136	38.5
158.10938	3.8
159.08090	3.9
159.11711	20.7
161.09662	6.0
161.13335	6.1
163.11247	1.5
165.07008	3.9
167.08609	5.0
168.09404	4.0
169.10101	12.8
170.10936	7.8
171.11710	16.8
172.12367	2.9
173.09637	6.2
173.13257	9.4
175.11234	3.9
179.08505	6.6
180.09343	4.6
181.10149	10.7
182.10889	6.6
183.11710	18.3
184.12529	3.6
185.13263	37.7
187.11206	10.4
187.14816	12.0
189.05591	2.3
189.12743	3.4
191.08546	2.2
191.14264	2.1
192.09334	2.3
193.10165	9.1
194.10942	5.9
195.11697	16.6
196.12511	5.0
197.09566	1.4
197.13263	13.1
198.14082	2.2
199.11310	1.5
199.14868	5.0
201.12770	2.3
203.14384	3.3
205.10194	2.3
205.15916	5.8
206.10957	4.9
207.11673	14.4
208.12454	7.4
209.09865	1.5
209.13275	17.5
210.14035	2.8
211.11156	1.8
211.14868	5.9
213.12776	8.4
213.16412	1.7
217.10161	2.2
218.11012	1.8
219.11784	4.2
220.12540	4.2
221.13234	12.9
222.14142	4.4
223.14854	13.5
224.15501	1.5
225.12840	3.7
225.16362	2.6
227.14354	2.7
229.15891	1.6
233.13313	6.6
234.13963	3.6
235.14882	6.5
236.15622	2.9
237.16391	8.4
239.14281	2.5
239.18060	2.9
241.15967	3.5
243.11707	2.5
245.13258	2.9
247.14825	5.4
248.15578	2.0
249.16403	11.1
251.18040	7.8
253.15826	1.6
256.18161	2.0
258.14157	1.7
259.14890	2.7
261.16425	2.7
263.14542	1.8
263.17987	8.7
264.18793	2.1
265.15964	3.2
265.19543	4.9
267.17520	5.2
269.19040	4.2
273.16229	3.1
277.16000	2.7
277.19540	2.8
281.19034	3.7
282.19867	2.5
283.20563	1.5
287.17935	1.7
289.19568	3.5
291.17267	4.3
291.19989	2.5
299.18115	2.4
303.17673	2.3
305.19095	2.2
309.18588	3.7
314.19916	1.7
317.19067	2.6
319.24109	2.5
329.22919	3.9
347.23688	34.5
365.24805	100.0
366.25113	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	365.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
53.47520	2.6
55.05511	20.4
57.03428	4.3
57.07067	6.1
61.02905	4.2
63.67357	3.1
65.03931	3.6
67.05504	34.1
69.03432	7.4
69.07065	15.2
70.42060	6.9
70.42434	5.9
79.05489	35.8
80.20334	2.7
81.07058	28.7
83.04995	4.5
83.08598	7.6
85.06554	6.9
88.92638	2.6
90.24658	2.7
91.05481	46.1
93.06474	3.9
93.07044	54.1
95.04982	33.9
95.08170	2.5
95.08626	31.3
95.34371	2.6
97.06521	8.2
97.10179	3.8
99.08112	3.7
105.07036	56.5
107.08603	36.8
109.06506	12.0
109.10148	20.4
110.61436	3.0
117.07030	16.1
117.40620	2.8
119.08588	49.7
121.06548	3.9
121.10133	37.7
121.17561	3.4
123.08060	4.2
123.11713	7.2
125.03754	3.2
128.06232	8.1
129.06989	17.2
129.88559	2.7
130.07739	4.1
131.08560	38.7
133.06444	3.2
133.10147	24.6
135.08064	9.8
135.11661	8.4
137.09616	5.7
141.06976	7.4
142.07744	13.7
143.08551	30.9
144.09294	7.6
144.97893	3.3
145.10129	46.4
147.08020	8.3
147.11737	14.8
149.09596	11.6
149.13240	3.8
155.08582	15.9
156.09314	13.1
157.10120	35.7
158.10904	5.6
158.97467	3.0
159.08023	5.7
159.11748	20.9
161.09618	15.7
161.13237	8.4
165.06976	8.2
167.08565	12.2
168.09375	6.4
169.10149	21.4
170.10883	6.6
171.11650	20.4
172.12448	3.8
173.09546	7.3
173.13280	50.5
175.11208	7.4
175.14757	3.7
177.12703	3.5
178.07863	4.3
179.08534	11.6
180.09308	7.1
181.10178	19.1
182.10883	6.9
183.11688	28.4
184.12413	5.6
185.09705	6.3
185.13319	15.9
187.11195	5.8
187.14862	4.5
191.14272	33.0
192.09364	6.1
193.10068	15.0
194.10924	6.5
195.11699	16.5
196.12486	6.4
197.13271	16.8
198.14061	4.6
199.11247	6.5
199.14832	6.0
201.12709	12.8
203.14340	3.4
205.10159	3.2
206.10939	7.9
207.11710	21.7
208.12473	10.5
209.09729	3.3
209.13228	21.6
211.14786	12.4
213.12704	4.3
216.15059	5.3
217.10353	3.8
219.11620	6.7
220.12502	4.8
221.13216	17.1
222.14018	5.2
223.14830	15.5
225.12741	8.3
225.16338	7.4
229.15744	3.7
232.12558	5.4
233.13219	6.4
234.13980	5.3
235.14873	8.6
236.16080	4.1
237.16415	8.3
241.15791	4.0
243.11815	4.0
247.14828	6.9
248.15709	7.1
249.16484	15.6
251.17892	3.1
253.15836	3.3
255.17348	4.0
261.16202	4.8
263.17947	10.3
265.15833	5.5
267.17365	8.2
267.68964	3.7
273.16135	5.5
273.18704	5.3
273.22086	3.2
279.17688	3.3
281.18958	9.2
282.19669	5.5
291.17194	5.8
297.18216	4.2
303.17737	7.4
306.24298	6.8
309.18427	4.0
329.22812	4.8
337.25333	9.4
344.80652	3.4
347.23596	35.2
365.24249	100.0
366.26093	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.6
55.01850	18.0
55.05256	4.0
55.05505	23.0
57.03421	20.5
64.55774	3.9
67.05508	62.1
69.03410	4.8
69.07055	19.9
71.04973	8.6
71.56631	4.7
71.57058	9.6
79.05491	55.3
81.07053	46.2
83.04967	11.2
83.08614	8.9
85.06572	10.4
91.05489	53.5
93.07041	41.1
95.04987	47.7
95.08591	34.5
97.06548	8.8
97.10143	7.1
105.07022	36.6
107.04951	13.9
107.08595	47.1
109.06515	100.0
109.10144	25.9
113.06030	5.4
115.05387	5.4
117.06998	18.8
119.08598	33.8
121.06486	10.1
121.10101	17.1
123.08076	7.7
125.09586	7.2
129.06985	13.8
131.08566	33.6
133.10144	28.1
135.07129	6.6
135.08064	93.2
135.11732	6.5
142.07721	5.4
143.08565	21.8
145.10136	34.0
147.08008	8.2
147.11642	4.5
149.09598	14.9
155.08548	7.0
157.10129	24.5
159.08018	6.5
159.11668	21.7
161.09575	12.1
161.13226	7.2
169.10118	11.2
171.11670	12.9
173.13255	10.4
177.12706	14.9
183.11670	13.6
185.13234	14.9
187.14822	7.6
189.05408	10.9
189.12756	4.8
195.11807	7.0
197.13274	9.0
199.11127	5.9
199.14832	9.0
201.12750	8.5
207.11607	5.4
209.13220	12.8
211.14688	9.1
217.15836	16.6
221.13397	5.6
223.14833	6.1
237.16486	7.8
245.18948	8.9
255.17545	11.4
265.19333	4.2
273.18542	44.2
273.83823	5.0
291.19815	5.2
303.17902	6.9
305.21091	69.4
347.23642	12.0
365.10724	6.3
365.25150	60.1
365.29749	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	365.2304
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
52.45860	0.6
53.03933	0.7
55.01856	2.0
55.05511	7.3
56.96576	0.6
57.03443	3.0
57.03663	0.6
62.50394	0.5
67.05176	0.7
67.05507	9.9
69.03431	3.7
69.07066	12.1
70.84337	0.9
70.84669	1.0
71.04991	0.7
79.05492	6.8
79.89765	0.6
81.03410	1.2
81.07053	7.0
83.04995	1.5
83.08631	3.3
91.05489	5.0
93.07044	4.8
95.04951	2.2
95.08607	4.0
97.02886	4.8
97.06532	1.3
97.10170	3.9
105.06998	2.9
107.04959	2.7
107.08591	4.7
109.06497	1.3
109.10162	3.1
117.07013	2.2
119.08571	3.6
121.06511	1.0
121.10094	1.1
123.08073	1.3
125.09647	2.9
129.06987	0.8
131.08566	2.1
133.10085	1.4
135.08034	1.3
135.11722	0.7
137.09584	0.6
143.08563	1.1
145.10129	1.8
147.08049	2.0
147.11700	0.8
157.10121	0.9
161.09618	1.3
163.11276	0.8
165.09065	0.7
175.11247	0.6
177.12750	0.9
189.11189	2.1
209.33812	0.6
223.13298	7.6
227.12700	0.8
273.18457	5.4
284.12726	1.2
291.19537	29.2
347.22467	0.6
365.23044	100.0
366.23303	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42530	0.8
52.45507	0.7
53.03933	2.4
55.01874	6.9
55.05510	28.3
57.03432	9.5
59.05008	0.9
65.03936	1.5
67.05502	33.2
69.03429	13.8
69.07067	41.6
69.53553	5.6
71.04985	1.4
77.14291	0.9
78.37640	0.8
79.05492	24.7
81.03413	6.0
81.07053	26.6
83.04985	4.1
83.08614	10.0
85.02900	1.1
85.06532	1.7
91.05476	14.3
93.07042	20.1
94.04141	0.9
94.60680	0.8
95.04969	8.4
95.08605	12.7
97.02293	1.2
97.02888	17.6
97.03507	0.9
97.06519	4.6
97.10172	15.4
98.20909	2.2
98.97601	1.3
103.03915	0.9
105.03387	1.0
105.07019	12.5
105.59917	0.8
107.04947	7.9
107.08585	16.2
109.02811	0.9
109.06506	3.0
109.10163	11.5
111.08060	2.7
117.07003	6.5
119.04902	0.9
119.08582	12.2
121.06486	4.1
121.10136	4.8
123.08058	4.5
123.11692	1.0
125.09621	12.5
128.06192	1.3
129.05559	0.8
129.07008	2.6
130.07832	0.8
131.08554	8.0
133.06516	2.1
133.10112	7.5
135.08043	5.4
135.11707	2.4
136.87839	0.8
137.09621	3.7
143.08559	2.3
145.10103	5.0
147.08037	5.6
147.11687	4.3
149.09639	2.1
149.13234	2.3
151.11185	2.1
153.09061	1.5
155.10580	1.1
157.10100	2.9
159.08061	1.0
159.11728	2.8
161.09608	3.2
161.13260	1.5
163.11205	0.9
165.09120	2.5
169.12260	0.9
171.10155	1.8
173.09593	0.9
173.13182	0.9
175.11211	2.4
177.12740	2.0
189.11191	5.1
195.13763	2.7
205.12164	3.9
213.14828	1.1
223.13286	29.5
227.12810	2.1
227.17955	1.3
245.19106	2.2
249.14799	1.0
253.14259	1.0
255.17474	1.8
263.20123	2.6
273.18466	19.4
273.21262	1.5
284.12881	3.1
291.19531	100.0
292.19946	1.4
347.22070	1.6
365.15497	3.0
365.23190	72.6
366.23248	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.2
55.01870	11.4
55.05269	2.1
55.05515	30.8
56.96553	2.4
57.03440	20.1
61.02917	4.4
62.34489	1.4
65.03934	2.2
67.05506	50.7
69.03430	11.4
69.07069	65.8
69.34459	10.8
69.34877	3.9
71.04974	3.1
73.02917	2.9
79.05064	2.9
79.05493	41.6
79.33112	1.5
81.03432	9.2
81.07056	39.9
83.04993	8.1
83.08622	15.2
85.02905	3.9
85.06554	8.4
86.84124	1.7
91.03955	3.0
91.05485	29.0
93.07051	31.7
95.01333	2.1
95.04977	16.0
95.08617	20.3
97.02895	15.8
97.06518	5.6
97.10178	15.9
98.97586	2.8
99.04435	2.2
103.05445	2.0
105.07027	24.4
107.04965	15.4
107.08599	22.3
109.06481	9.1
109.09464	2.2
109.10152	14.7
110.97621	1.7
111.04488	1.7
111.08060	4.9
112.99132	2.0
113.06033	11.3
117.07032	12.0
119.04970	1.5
119.08574	17.4
121.06509	7.7
121.10151	12.0
123.08041	8.8
123.11734	2.0
125.09647	11.7
127.03847	2.3
129.07004	5.1
129.25513	1.7
131.08571	12.6
133.06487	4.4
133.10130	15.1
135.08076	9.5
135.11691	4.9
137.05969	5.3
137.09573	3.9
143.08556	7.4
145.06474	1.8
145.10130	8.6
147.08017	8.5
147.11710	5.0
149.09625	6.4
149.13284	3.2
151.11177	5.7
153.09073	2.1
157.10143	4.3
159.08052	3.1
159.11728	4.5
161.09589	5.9
161.13226	2.9
163.11139	2.8
165.09065	3.4
169.12254	2.5
171.11690	3.5
175.11198	3.5
177.09047	2.5
185.13257	2.5
189.11223	6.7
193.12308	3.2
195.13785	3.5
203.10976	4.3
217.15987	2.3
223.13341	23.8
227.12779	1.8
243.09822	3.8
245.19046	3.6
249.14935	2.1
253.14345	5.3
255.17496	3.9
263.20029	5.5
269.10660	4.0
269.13824	1.6
273.18536	30.3
273.21317	1.4
284.13577	4.3
291.19537	100.0
292.19849	2.9
293.05478	2.2
347.22168	3.4
357.15543	2.1
364.65353	1.7
365.23224	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01873	4.8
55.05515	5.6
57.03439	45.8
57.07070	1.3
64.08520	0.7
65.03943	2.1
67.05508	39.6
69.03414	1.7
69.07073	4.4
71.04998	3.7
73.06536	0.8
79.05489	18.7
81.03424	2.0
81.07059	16.8
83.04980	2.5
83.08621	3.1
85.06021	0.9
85.06545	39.7
91.05483	16.8
93.07045	16.9
95.04971	54.0
95.08606	10.2
97.06527	3.1
100.22256	0.7
105.07034	12.4
107.04964	7.4
107.08591	10.1
109.06522	48.2
109.10146	2.2
111.08089	1.8
113.06010	100.0
116.06232	1.1
117.07025	8.9
119.08585	7.6
121.06493	3.6
121.09370	0.8
121.10159	3.1
123.08073	4.1
128.06262	1.2
129.07004	6.0
131.08563	11.8
133.06483	2.1
133.10121	6.9
133.10931	0.7
135.08058	33.7
135.11679	4.6
137.06003	2.1
137.09636	1.3
141.07008	1.1
143.08578	4.7
145.10133	9.4
147.08064	4.5
147.11688	1.2
149.09641	4.7
149.13293	2.2
153.09061	0.8
155.08607	1.3
157.10081	4.9
159.08049	1.5
159.11703	5.4
161.09639	7.4
161.13251	1.3
163.11195	2.5
165.09114	1.3
169.10175	1.2
171.08055	0.8
171.11736	2.9
173.09581	1.0
173.13258	2.6
175.11209	3.8
177.12755	2.5
181.10152	1.0
183.11723	2.3
185.13222	1.3
189.12846	0.9
195.13937	1.2
199.14833	3.3
201.12743	2.1
217.15897	15.2
219.13820	1.2
227.17947	2.2
233.15506	1.8
237.16560	1.0
245.19075	1.7
255.17529	2.9
273.18475	24.9
273.21210	1.4
291.19540	39.9
292.19724	1.0
347.22287	2.4
365.15494	1.0
365.19107	1.5
365.23273	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	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
54.17924	1.1
55.01871	6.2
55.05519	6.4
57.03437	40.5
57.07069	1.7
57.23999	1.2
59.13483	1.0
61.02934	2.1
65.03938	3.0
67.05508	40.9
69.03437	2.4
69.07058	6.4
71.04987	4.8
71.07671	3.3
73.02914	1.2
73.49086	1.3
79.05500	20.0
80.02469	1.2
81.03410	2.8
81.07058	14.9
81.56922	1.1
83.04961	3.1
83.08621	2.9
85.02892	3.2
85.06542	35.3
91.03940	2.1
91.05482	18.9
93.07050	17.7
95.04971	51.5
95.08625	10.7
97.02862	1.9
97.06536	5.7
105.07047	12.5
107.04955	8.0
107.08604	15.1
109.06519	48.5
109.10136	4.0
111.08080	1.9
113.06004	100.0
113.74248	1.3
117.07028	9.5
118.64680	1.3
119.08569	10.1
121.06506	4.6
121.10139	5.5
123.08063	3.9
129.07019	4.8
131.08571	12.6
133.06537	1.7
133.10132	5.4
135.08064	34.1
135.11678	4.4
137.05995	4.0
143.08569	4.2
145.10114	7.5
147.08047	4.9
147.11684	3.7
149.09639	4.3
149.13274	2.8
155.95782	1.4
157.10115	5.0
159.07970	1.7
159.11696	5.0
161.02991	1.9
161.09593	6.3
163.11165	3.2
169.10216	1.8
171.11699	4.0
173.13272	3.4
175.09796	1.3
175.11214	2.3
177.12729	3.7
187.11110	1.4
199.14806	2.8
201.12747	1.9
203.10997	12.3
203.61191	1.5
217.15875	13.7
227.17908	1.6
233.15308	1.7
237.16516	1.4
245.19009	2.7
250.59724	1.6
255.14719	1.4
255.17320	2.5
273.18484	21.2
273.66229	1.3
284.13599	11.4
284.63739	3.6
291.19562	43.1
312.74118	1.3
322.02032	1.5
327.47565	1.2
331.17511	3.7
347.22037	2.9
349.18631	3.7
354.40161	1.3
365.23264	16.2
366.20505	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	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.01875	7.4
55.05267	1.7
55.05514	23.9
56.96560	2.2
57.03438	11.2
58.82912	1.0
59.04982	1.1
59.32888	0.9
61.02908	3.8
65.03950	1.1
67.05506	36.3
69.03430	15.6
69.07071	40.7
71.04989	2.1
73.02925	2.5
79.05492	28.6
81.03428	7.9
81.07056	24.6
83.04971	4.9
83.08623	10.2
85.02892	4.7
85.06492	1.2
87.04444	1.0
91.03934	3.3
91.05489	17.4
93.07048	19.4
95.04967	10.3
95.08611	13.1
97.02888	16.6
97.06532	4.8
97.10171	15.9
97.19722	1.2
103.05441	1.2
105.07033	12.6
107.04959	8.8
107.08603	15.6
109.06493	4.3
109.10170	10.5
111.08071	2.3
114.97031	1.0
115.05455	1.4
117.07021	8.2
119.04918	1.3
119.08573	12.1
121.06490	3.1
121.10133	6.0
123.04489	1.2
123.08056	5.3
125.08919	1.0
125.09644	11.8
129.07024	3.1
130.24284	1.0
131.08553	7.4
133.03433	1.4
133.06499	2.8
133.10132	7.4
135.08032	5.4
135.11696	3.3
137.05937	2.0
137.09622	3.5
143.08501	3.1
145.06497	1.1
145.10095	5.4
147.07990	5.2
147.11673	3.1
149.09641	2.7
149.13271	1.3
151.11201	1.8
153.09145	1.1
155.01854	1.2
157.10092	3.9
159.08055	2.0
159.11717	2.5
161.09657	2.6
163.11143	1.8
165.09100	2.9
165.93723	1.1
169.12221	1.1
171.10170	2.4
171.11563	2.0
173.13327	1.5
175.04529	1.3
175.11221	2.7
177.12730	1.8
189.11201	7.2
195.13799	1.8
203.10927	3.3
205.12166	2.7
215.08403	1.9
223.13301	25.4
227.12752	1.7
227.18016	1.5
243.09741	0.9
245.19058	2.2
251.11526	1.4
263.20041	2.3
269.10565	1.6
273.18494	19.1
284.13556	8.2
284.63797	3.7
291.19543	100.0
336.88867	1.0
347.22150	3.0
349.18082	1.4
365.23236	61.2
383.17828	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2299
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
52.58722	0.4
53.29540	0.5
53.72596	0.4
67.05502	0.6
70.88217	1.1
81.07050	0.7
93.07056	0.8
105.07037	0.7
107.70855	0.5
107.89748	0.4
191.14368	0.5
209.11469	0.5
291.92020	0.4
303.18057	0.6
365.23035	100.0
366.23114	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
54.44699	1.1
55.01873	7.9
55.05513	6.2
57.03437	45.9
57.07068	2.9
59.21551	0.9
61.02902	1.4
65.03935	3.5
67.05502	45.2
69.03419	1.9
69.07069	7.5
71.04986	3.7
77.03975	1.1
79.05492	24.7
81.03423	2.3
81.07056	20.0
81.95177	1.2
83.04986	2.5
83.08618	3.6
85.06016	1.1
85.06544	35.9
91.05477	19.8
93.07047	19.2
95.04969	64.5
95.08611	9.7
97.06536	3.9
103.05490	1.4
105.07028	15.6
107.04960	9.9
107.08591	13.0
109.06519	57.2
109.10160	3.8
111.08084	1.9
113.06005	100.0
115.05424	1.1
117.07024	11.3
119.08581	10.6
121.06496	6.7
121.10127	4.5
123.08073	4.4
128.06215	2.1
129.06154	1.0
129.06961	5.4
131.08568	14.9
133.06511	1.9
133.10121	7.4
135.08049	39.8
135.11682	4.8
137.05998	2.3
137.09669	1.5
141.06917	1.1
142.07776	1.2
143.08559	8.1
145.10132	8.3
147.08110	5.3
147.11697	3.7
149.09633	6.1
149.13252	2.7
155.08507	1.9
157.10127	5.3
159.08089	4.0
159.11678	7.6
161.09602	9.9
161.13245	2.6
161.46681	1.1
163.11151	2.1
171.11687	3.8
173.13264	2.3
175.11221	2.7
175.14835	1.3
177.12799	5.0
183.11702	2.6
185.09645	1.3
185.13214	1.6
187.11206	1.5
189.12802	1.3
195.11671	1.7
195.13692	1.0
199.11159	2.2
199.14804	4.0
201.12686	2.3
204.30421	1.2
217.15869	16.7
219.13870	2.5
227.17937	2.5
233.15338	1.4
245.18961	5.0
255.17485	4.8
255.59631	1.0
273.18491	42.9
283.06201	1.6
285.10498	1.2
291.19543	55.6
299.27255	1.1
347.22357	6.0
365.19522	1.6
365.23248	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	365.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.2
59.51540	1.6
67.05505	5.1
69.07076	5.8
69.53008	8.1
69.53424	3.6
79.05502	4.5
81.07074	8.3
83.04974	1.6
85.06541	2.2
91.05486	3.3
93.07066	5.5
95.04981	3.0
95.08629	4.9
97.06566	2.0
101.94259	1.6
105.07069	2.6
107.08607	2.7
109.06512	2.8
109.10173	3.9
110.90964	1.7
111.04424	2.4
111.66633	1.5
119.08600	2.9
121.10206	1.8
123.08109	5.7
133.10239	2.7
135.08041	2.8
135.11771	3.1
137.06013	2.7
143.98979	1.7
145.10121	1.8
147.11769	2.5
151.07581	2.9
165.09138	12.0
189.05519	2.8
210.80109	1.9
221.15331	2.6
243.89473	1.7
291.19836	2.1
305.24686	10.0
319.26462	6.2
347.25882	46.6
365.20432	16.5
365.26978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	8.3
67.05495	28.6
69.07034	17.9
70.42673	10.1
70.95370	23.5
79.05492	19.6
81.07062	25.4
91.05482	25.0
93.07060	19.1
95.04956	35.4
95.08604	34.5
97.06527	10.6
98.67867	9.6
100.32626	9.4
105.07014	24.2
107.08562	22.6
109.06525	9.5
109.10135	12.6
119.08585	34.8
121.10120	16.8
125.09669	8.4
129.06956	11.1
131.08549	19.1
133.10156	20.7
135.08067	16.3
135.11673	12.3
140.57761	8.6
143.08525	15.5
145.10141	25.8
156.09363	10.4
157.10112	31.5
159.11720	17.4
169.33603	8.9
171.11702	14.1
173.13208	10.4
179.08604	11.0
183.11659	14.4
187.14786	12.1
195.11726	16.9
197.13272	13.6
207.11702	15.1
221.13272	15.2
223.14784	18.5
235.14934	11.9
237.16400	9.7
241.52914	10.6
249.16179	9.7
347.23505	14.3
365.20740	48.2
365.25107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	19.3
57.03420	3.2
62.54753	2.5
66.78560	3.2
67.05508	16.2
69.07065	13.7
70.03847	2.7
70.67787	8.5
75.96905	2.7
79.05482	14.6
81.07046	18.2
81.50846	2.6
83.04989	4.2
83.08624	10.0
84.08971	3.3
85.06573	3.2
91.05485	10.5
93.07038	16.9
95.04969	12.7
95.08600	13.8
97.10164	8.2
98.10506	5.6
105.07028	15.9
106.07390	3.0
107.08584	14.7
108.05286	3.8
108.08954	3.4
109.06554	4.6
109.10159	6.6
117.07037	4.5
119.08578	12.9
121.10152	7.7
123.08096	5.8
125.09624	9.9
126.09953	5.1
131.08569	7.1
133.10121	4.1
135.08084	7.8
135.11664	4.4
136.08401	3.0
138.12810	5.5
139.13187	4.7
142.07761	4.1
143.08588	9.1
145.10117	15.4
155.08527	3.1
156.09288	3.3
157.10109	10.0
159.11693	8.6
161.09674	3.5
169.10095	4.7
170.10892	2.7
171.11676	4.6
173.13234	3.2
177.12677	3.2
181.10085	5.6
183.11644	4.1
185.13293	9.9
187.14755	3.2
193.10204	4.0
195.11612	6.1
197.13243	4.4
205.10057	3.1
207.11691	6.8
209.13449	11.5
220.06467	2.8
221.13315	6.9
223.15097	3.6
238.15182	10.2
241.16116	3.0
249.16533	3.4
251.18054	3.9
305.23218	5.1
306.21381	16.3
323.24133	11.2
347.25717	8.7
365.20712	20.3
365.25104	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	6.1
57.03434	4.8
69.03425	4.9
70.06592	100.0
71.35516	2.3
73.17144	1.3
81.03410	3.0
81.07056	1.6
82.06582	1.9
84.08154	3.2
85.02904	6.3
97.02879	3.4
98.06042	2.0
98.97591	15.8
105.07030	2.8
106.06560	2.0
109.02890	2.2
110.06025	4.0
110.97548	3.4
111.04451	2.2
112.07583	3.5
116.98619	6.2
122.06020	1.6
128.98582	4.0
131.00195	1.3
133.06487	2.0
134.06004	12.2
134.99614	1.5
137.05978	2.4
140.07057	3.4
146.99673	1.7
148.07567	1.6
148.11166	1.8
149.05945	1.5
149.08351	1.6
151.06261	3.9
152.07083	7.7
158.09618	1.9
158.99667	2.0
160.07492	1.7
161.06021	3.0
162.05501	2.1
162.09146	6.4
163.09904	4.0
164.10716	14.4
170.99554	2.1
174.09116	3.3
175.12312	4.4
176.07086	3.2
176.10710	2.3
177.00681	3.1
179.07068	2.6
185.04227	8.3
186.09122	3.4
188.10770	2.6
189.05440	4.8
189.10217	5.4
190.08586	4.7
191.09427	16.2
192.10190	65.9
201.07991	1.5
202.08643	2.9
202.12364	1.5
203.05296	18.5
203.11763	1.8
204.06505	4.7
204.10219	11.5
214.08630	2.7
216.04779	2.9
216.10188	3.8
217.07478	1.5
217.13435	1.5
218.07930	1.7
218.11768	1.6
219.01743	4.5
220.09616	2.2
228.10257	2.5
231.12524	1.9
232.09694	19.7
232.15788	2.4
233.08107	2.1
237.02786	6.2
239.02332	3.4
242.11731	1.7
243.11284	5.6
244.05936	1.6
244.09761	1.8
244.11987	2.4
245.12845	3.3
246.11292	1.7
248.09184	3.7
256.09659	2.0
257.03241	1.8
258.11176	5.7
260.09174	53.4
260.15167	1.6
261.07489	3.0
270.07584	2.8
273.12418	9.1
273.15750	2.9
274.07080	4.7
274.10687	4.1
276.12228	1.5
278.10291	1.8
281.03375	1.5
284.09161	5.0
285.09662	1.9
286.10745	14.3
288.12256	5.0
301.11780	4.0
301.15268	3.2
303.11017	2.4
303.16980	2.6
304.11768	2.7
305.12509	1.5
312.12296	2.4
319.16522	3.5
323.10040	5.3
329.14865	8.3
347.16028	87.8
348.16888	2.0
365.05490	11.6
365.10645	39.5
365.17032	26.2
383.06631	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44075	0.5
56.96555	2.0
63.01478	0.6
69.03405	0.9
70.98109	0.6
71.85234	0.6
82.99830	0.9
85.02895	1.1
98.97596	4.8
101.00881	6.1
102.88159	0.6
104.54607	0.5
109.02848	0.7
110.97566	1.4
113.00889	1.1
115.02429	0.7
116.98644	1.1
119.01934	6.8
122.01385	0.9
124.95474	1.3
124.99054	0.5
127.02430	0.8
127.03908	0.8
128.98566	2.9
131.01926	4.8
133.03464	1.3
137.01955	0.7
137.02972	0.6
139.02361	0.9
143.01897	7.2
145.03445	2.5
146.99657	2.5
155.01900	4.6
157.03452	2.0
158.02419	0.7
158.99629	1.3
161.02953	5.8
165.00745	0.7
167.01947	2.7
169.03409	1.3
170.96008	1.3
172.97601	0.8
173.02960	7.6
174.99065	1.6
177.00745	0.9
179.01834	1.4
183.03415	0.5
184.97578	1.6
185.02919	8.1
185.04251	15.2
187.04539	1.3
188.97131	1.6
189.00679	1.1
190.98619	0.7
193.00061	0.8
197.03032	4.1
201.00787	0.8
202.98685	1.2
203.05333	36.8
203.54205	0.6
207.01807	1.7
207.35617	0.5
212.97211	0.9
215.03958	2.8
220.99702	0.8
224.04591	1.2
227.04019	2.2
230.98186	2.3
237.02800	1.1
242.33757	0.6
244.99666	0.9
245.05086	22.5
248.99231	0.6
257.05072	1.9
263.00766	2.3
263.06152	3.2
275.06100	1.7
287.02484	1.1
293.07187	1.1
333.01114	0.8
365.10559	100.0
366.10956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	4.8
57.03429	2.9
64.71582	0.7
69.03417	2.8
70.98123	2.1
81.03429	1.1
81.53413	0.8
82.99825	1.7
84.96018	0.9
85.02916	5.0
89.02217	0.8
94.06567	2.4
96.32166	0.7
97.02895	3.1
98.97590	14.5
101.00874	12.8
109.02891	1.2
110.01400	1.8
110.97585	2.8
113.00871	4.8
114.96929	1.0
115.02419	0.9
116.98609	3.4
119.01099	1.3
119.01920	10.8
122.01392	6.1
122.51437	2.1
124.95504	1.4
127.02432	2.4
127.03902	1.7
128.01379	3.7
128.98613	3.4
129.02139	1.1
131.01909	15.3
131.51964	2.8
134.99658	1.0
137.00905	1.4
137.01907	9.4
137.51996	1.8
138.05487	4.7
139.02444	1.6
143.00172	1.4
143.01903	24.7
143.52016	1.7
145.03476	6.5
145.04970	1.3
146.99658	2.8
149.01941	3.7
151.00797	0.8
152.02446	3.4
155.01889	10.5
156.98053	1.1
157.03491	4.4
158.02460	2.5
158.99637	2.5
161.02980	12.9
162.98956	0.7
164.02406	1.4
167.01871	6.2
168.06613	1.1
169.03455	2.2
170.96024	3.3
171.05045	1.5
173.02971	24.2
173.53059	2.9
174.99127	1.4
179.02966	2.2
182.03519	2.6
184.97659	1.8
185.02948	16.7
185.04283	15.4
187.00941	0.8
187.04608	2.4
188.97125	2.5
189.00670	2.5
193.00056	1.0
193.03580	1.1
194.03418	2.2
197.02951	8.6
201.00748	1.1
202.54427	1.3
202.98669	3.0
203.03940	8.5
203.05307	36.8
203.54135	3.1
205.00119	1.0
206.98247	0.9
207.01787	1.7
212.04529	1.2
215.04024	6.0
215.07591	1.7
219.01907	1.8
220.99756	1.2
221.04971	1.4
223.55388	1.0
224.04524	7.4
224.54547	1.0
227.03951	3.8
230.98177	3.4
235.01373	1.0
236.02299	1.9
237.02740	1.6
243.01997	1.3
244.99712	1.5
245.05086	47.9
246.05209	1.1
254.05493	1.1
257.05164	3.2
263.00751	3.3
263.06155	8.7
275.06104	5.1
293.07446	1.3
304.98453	0.9
305.10873	2.9
365.10590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.6
55.05501	0.9
67.05482	1.4
69.07046	1.6
70.45995	1.2
78.83446	0.4
79.05470	1.7
81.03430	2.6
81.07026	1.7
83.04955	0.9
83.08591	1.2
91.05494	3.0
93.07014	1.2
95.04941	1.4
95.08580	0.4
97.06538	2.3
97.10135	0.5
100.96203	0.4
105.07004	1.3
107.04855	0.5
107.08571	0.9
111.08046	0.6
119.04895	0.9
119.08590	1.1
121.06496	0.4
121.10145	0.9
123.04382	0.6
126.10128	0.6
127.64265	0.4
129.06975	0.6
131.08537	1.0
132.05695	0.5
133.06458	0.7
134.09721	0.6
135.04405	0.5
137.06000	6.2
143.08574	0.5
145.06410	0.5
147.04396	1.5
147.06818	0.9
147.07991	0.6
147.11688	0.5
148.07564	2.6
148.11136	1.0
149.05916	0.9
149.09692	0.5
149.11964	0.8
154.66325	0.5
157.06526	0.5
157.10165	0.6
160.11235	1.0
161.06027	2.0
163.06261	0.6
164.07088	0.5
171.07971	0.5
173.06010	0.9
174.09102	0.5
175.11153	0.6
176.07097	17.9
176.10712	30.1
177.07758	1.4
177.09157	0.8
177.11470	4.5
179.10669	0.4
187.07579	0.7
188.10690	1.0
188.72597	0.4
189.09114	0.9
189.11533	0.6
190.08594	2.2
193.12312	1.9
204.10205	13.2
205.10989	22.0
206.11728	1.2
211.13318	2.3
211.15042	0.4
231.25607	0.4
255.26910	0.5
257.15155	0.6
259.95627	0.5
273.13617	3.9
285.14847	0.8
302.17511	100.0
303.15768	1.6
303.18423	0.8
311.16440	0.9
320.18500	0.8
328.19043	0.9
329.17422	1.8
346.20139	20.5
347.18515	4.3
364.21194	55.6
365.21323	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41848	0.3
69.07047	0.4
69.21429	1.4
69.21856	1.8
73.56693	0.3
79.05446	0.7
81.03366	0.3
97.06529	6.6
98.20692	0.5
100.18728	0.3
105.07008	0.3
131.08534	0.4
137.05925	1.3
146.05984	0.4
147.06778	6.1
148.11182	0.4
159.08038	0.5
160.11113	0.5
161.05963	0.9
164.07011	0.5
171.07971	0.5
173.09686	0.4
176.07085	1.9
176.10709	4.8
177.07860	6.5
177.09306	0.7
180.46597	0.4
185.09639	0.5
187.07520	0.5
188.10666	0.9
189.09105	0.3
190.08652	0.4
199.07602	0.5
202.12288	2.7
204.10205	3.2
205.10915	1.4
206.11725	1.2
216.10147	0.5
229.10970	1.4
230.15421	1.5
258.14932	3.4
260.12717	1.1
273.13586	12.6
285.14795	0.4
291.14627	0.4
302.17496	100.0
303.17807	1.1
320.18567	5.7
346.20145	12.2
347.18735	0.3
364.21182	32.3
365.21573	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.5
57.07065	3.1
64.70694	1.1
67.05519	6.5
69.07078	12.1
71.04980	1.3
71.08631	2.6
71.56012	1.6
79.05483	5.8
81.07052	12.0
83.08601	5.0
89.06014	3.4
91.05468	4.3
93.07057	7.5
95.04978	1.8
95.08604	10.1
97.06532	3.1
105.07028	5.8
107.08582	5.9
109.06519	11.8
109.10133	4.0
111.08081	2.5
114.05987	1.1
115.59819	1.3
119.08528	5.4
121.06521	1.5
121.10151	6.4
123.08074	55.3
123.11681	2.3
129.07024	1.3
131.08522	1.8
133.08607	1.3
133.10117	4.5
135.08084	4.2
135.11674	2.6
137.09633	3.4
143.08601	1.4
145.10143	3.8
147.11626	3.0
149.09557	1.5
149.13226	2.4
157.10130	1.6
159.08102	1.3
159.11699	3.1
161.13298	1.3
168.09454	1.3
169.10124	1.5
173.13275	1.1
175.14803	1.3
177.12701	1.2
179.14323	18.9
195.12051	1.6
275.20032	1.7
307.22678	4.4
331.26328	3.9
363.28946	100.0
364.29181	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2893
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
53.03937	0.6
55.01860	0.3
55.05511	2.9
57.06824	0.4
57.07078	4.7
57.18553	0.3
59.04987	0.3
61.82468	0.3
67.05508	4.2
69.07069	3.7
70.07489	1.1
71.04986	0.5
71.08639	4.6
79.05493	2.5
81.07059	8.5
83.04977	0.4
83.08614	1.4
85.06556	2.3
91.05494	2.4
93.07047	3.6
95.04989	0.7
95.08614	6.8
97.06524	1.0
97.10180	0.4
99.08106	3.0
100.00403	0.3
105.07024	2.4
107.08606	2.9
109.06523	18.3
109.10140	2.4
110.07336	0.3
111.08065	0.6
117.07006	0.4
119.08591	3.1
121.06499	0.5
121.10152	2.6
122.07285	1.3
123.08072	25.0
123.11694	1.0
131.08594	0.7
133.08467	0.4
133.10135	2.0
135.08060	3.4
135.11667	0.7
136.08771	0.3
137.09607	1.1
137.13223	0.6
143.08601	0.4
145.10112	0.8
147.11678	1.6
149.09621	0.4
149.13258	0.5
151.14801	0.5
157.12851	0.4
159.11694	0.8
161.13254	1.0
163.14769	0.3
165.12752	1.1
167.14304	1.4
173.13284	0.6
175.14838	0.5
179.14316	97.3
180.14700	0.7
192.15172	0.3
193.15892	3.0
233.18918	0.5
275.20309	0.4
289.25287	0.5
307.22736	0.5
331.26321	4.2
345.27994	0.6
363.28937	100.0
364.29276	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06321	0.4
55.01850	0.8
55.05513	5.4
55.08859	0.5
55.10031	0.4
57.03411	0.5
57.07056	1.6
59.05003	0.4
67.05505	5.1
69.07072	8.3
70.08053	1.5
71.04991	1.1
71.08635	1.2
79.05499	3.9
81.07062	8.5
83.05000	0.5
83.08617	3.7
85.06546	0.7
91.05463	2.2
93.07047	5.1
95.08611	8.4
97.06537	1.8
98.20959	0.8
99.08097	0.8
105.07033	3.3
107.08598	4.7
109.06526	8.5
109.10152	3.6
111.08087	1.7
119.08578	3.8
121.10124	3.1
122.07270	0.6
123.08073	51.0
123.11684	1.8
125.09638	0.9
131.08565	1.0
133.10110	2.9
135.08038	3.3
135.11700	1.2
137.09612	3.3
137.13246	0.5
145.10130	1.0
147.11687	1.8
149.09627	1.3
149.13254	2.1
151.11142	0.7
159.11694	1.4
161.13300	1.2
163.11157	0.5
165.12743	1.2
167.14275	0.8
173.13333	0.5
177.12701	0.5
179.14316	17.6
191.14380	0.4
193.15913	0.7
233.19009	0.8
263.20056	0.8
275.20178	1.1
289.21957	0.7
289.25131	1.0
295.22653	0.6
303.26678	0.7
307.22665	6.6
320.22992	0.5
321.24164	0.9
331.26242	4.4
363.28934	100.0
364.29254	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
57.07074	1.9
59.59582	0.9
67.05486	1.6
69.07060	2.0
69.25159	2.7
69.25573	6.0
71.08610	1.8
73.22721	0.8
79.05495	1.5
79.54065	0.8
81.07045	3.4
82.01392	0.9
85.07664	15.6
89.06032	3.0
91.05479	2.1
93.07036	1.7
95.08599	2.5
107.08534	2.2
109.10130	1.4
112.69929	0.9
123.08051	3.3
133.08589	1.9
173.09775	1.0
179.14265	2.7
289.83548	0.9
302.17477	2.0
321.25067	1.0
345.25168	1.7
363.25082	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.214
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
62.94669	0.3
65.50167	0.3
70.68599	0.3
70.82269	0.3
96.08144	0.5
97.06516	0.3
112.07606	0.4
122.50040	0.3
137.05740	0.8
143.05296	0.3
143.48982	0.3
219.30392	0.3
235.13033	1.0
249.14525	0.4
250.25580	0.3
363.21417	100.0
364.21591	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60376	0.3
56.96566	0.6
63.97352	0.4
67.05495	0.5
67.31489	0.4
69.66582	2.1
81.07054	0.5
87.33716	0.4
90.02772	0.4
91.03914	0.4
94.53786	0.4
97.06558	0.8
98.20790	0.5
107.24866	0.4
118.85133	0.4
137.05748	1.5
155.86986	0.4
235.13109	3.9
249.14569	0.8
359.39706	0.5
363.21432	100.0
364.21619	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.214
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97427	0.6
62.58250	0.6
70.28059	2.3
98.21494	0.7
101.49042	0.6
118.32706	0.7
152.60765	0.6
194.25880	0.7
240.83163	0.6
263.12466	1.2
264.28604	0.7
272.81433	0.7
275.16187	9.9
293.21497	0.6
363.17960	5.8
363.21423	100.0
364.21698	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	28.9
59.90508	8.8
60.75968	9.0
69.29974	80.7
79.05479	14.6
81.07061	13.8
81.87381	9.1
93.07045	16.3
98.97562	12.1
107.08573	12.5
112.99097	10.1
130.83269	7.7
131.00226	9.4
145.10175	10.9
229.07426	48.2
230.07756	15.9
247.08543	32.7
363.18735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.9
56.96568	1.6
69.03429	1.2
69.86993	2.4
70.06577	1.0
74.06042	0.9
74.68652	0.6
81.03415	1.0
81.07037	0.8
84.04502	0.8
85.02898	1.9
86.00141	0.7
97.02858	1.2
98.97578	2.9
101.00867	0.8
109.02914	0.8
113.00864	0.7
116.85718	0.6
116.98589	0.9
119.01898	1.2
119.08477	0.7
120.44008	0.6
127.03864	0.7
131.01924	1.3
137.06110	0.8
158.99603	0.8
183.00851	0.8
201.09418	0.9
201.11101	4.8
213.09691	2.4
219.01837	0.9
221.05157	1.2
237.02806	0.7
253.09209	0.7
303.12994	5.8
321.13943	2.6
363.16254	100.0
364.16644	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.6
55.05508	33.3
55.16967	3.5
57.03436	4.7
57.07065	7.8
57.16123	4.0
59.04986	6.5
67.05180	6.6
67.05509	98.1
69.07056	12.1
69.21815	8.5
69.22215	35.5
70.06583	17.3
71.05000	6.3
71.08643	19.0
79.05500	18.2
81.07063	46.2
83.04978	3.8
83.08611	19.4
85.06531	4.9
91.05479	16.4
93.07044	18.2
95.04954	6.1
95.08611	23.7
97.06528	4.0
97.10159	25.5
98.20694	8.4
99.08087	14.8
105.07037	5.2
107.08598	19.8
109.10157	97.0
109.42580	3.8
111.08075	5.9
119.08565	13.3
121.10139	13.7
125.09632	30.7
131.08545	4.4
132.10220	4.8
133.10089	8.4
135.08064	5.8
135.11743	7.9
141.84325	4.3
147.11647	5.7
149.13306	11.2
151.11208	10.1
153.09087	5.0
155.10683	50.2
159.11647	7.2
161.13274	7.9
165.12852	4.4
173.11749	79.0
179.14195	3.9
187.11682	7.6
187.13297	100.0
187.14972	4.9
195.13817	12.6
200.38582	3.9
203.12779	34.4
227.16483	8.1
256.26300	13.4
259.20755	4.0
277.21649	48.3
291.23242	8.4
295.22696	9.5
299.73007	3.9
300.29004	29.2
309.24200	27.0
362.28253	6.8
362.32645	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	362.196
Annotation	Robustamine cis-N-oxide
Peak:m/z	Relative Intensity
55.01864	3.6
55.26394	1.1
57.03441	1.6
67.05490	4.6
68.05016	4.3
69.07063	11.8
69.11295	1.1
69.37715	1.3
70.01865	1.1
70.06588	3.2
70.82218	2.4
79.05498	12.0
91.05499	7.6
95.04922	2.3
97.06532	97.0
102.47086	1.2
105.07038	2.4
115.05434	1.6
116.06277	2.4
117.07022	3.0
119.08564	3.4
128.06175	1.2
129.06985	3.4
130.07840	1.3
131.04918	1.8
131.08575	31.5
137.05949	3.7
141.06964	2.6
144.05742	2.5
145.06497	5.5
145.10072	2.4
146.32370	1.2
147.04367	1.5
147.06886	1.7
147.08009	2.8
148.07503	1.6
149.06012	4.5
157.06499	1.2
158.07315	2.9
159.08052	43.0
161.05986	2.8
162.05510	1.5
163.06339	2.5
163.07558	6.7
164.07083	6.2
169.63470	1.2
171.08028	1.5
173.05832	1.4
173.09639	12.4
174.09129	3.5
175.06281	1.4
175.07507	7.2
175.09929	1.4
176.07019	4.0
176.08319	5.7
176.10703	3.0
177.09111	50.7
185.09731	1.3
187.07530	7.6
190.08641	3.6
201.09219	2.2
201.12720	2.1
202.08676	2.5
203.09431	3.3
204.10194	6.0
205.11049	1.9
218.08055	1.2
218.11674	1.8
229.12244	10.8
246.11310	1.4
247.11961	4.9
255.13802	2.5
260.12888	9.0
272.12787	22.9
273.14688	15.5
275.16348	1.7
286.14459	2.0
300.15930	26.6
302.17493	48.1
308.16382	1.4
316.19067	11.1
318.17010	3.3
326.17572	7.7
344.18573	65.0
346.34351	1.2
362.19614	100.0
368.90311	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.0
55.01870	23.5
55.05519	22.0
57.03435	3.3
57.07055	6.5
65.03909	3.2
67.05507	59.4
68.99778	2.4
69.03430	4.5
69.07066	26.4
69.64228	2.1
71.00880	5.7
71.05012	3.0
79.05064	4.4
79.05493	51.5
81.03419	16.9
81.07058	100.0
83.04987	13.2
83.08630	8.8
85.06559	4.0
91.05477	46.0
93.07046	44.1
95.04975	28.0
95.08606	59.4
95.09177	4.6
97.02870	3.4
97.06524	10.3
97.10188	4.8
98.11919	2.5
105.07028	42.1
107.04951	40.5
107.08593	32.3
109.06516	17.6
109.10170	15.8
111.08046	5.1
117.07012	33.1
119.08578	41.3
121.06489	9.0
121.10140	18.6
123.04520	3.7
123.08069	9.8
123.11701	27.6
129.01843	8.4
129.07024	7.2
130.07748	3.2
131.08560	39.3
133.06499	5.5
133.10133	19.4
135.08098	9.0
135.11670	14.7
137.09630	5.1
137.13263	7.5
141.06996	6.1
143.08540	8.5
145.06477	12.4
145.10129	39.9
147.08086	7.4
147.11671	17.4
149.09601	7.4
149.13275	7.9
155.08542	4.7
157.10121	6.8
159.11691	24.1
161.13275	10.1
163.11212	7.8
165.12767	13.0
169.10161	4.6
171.11678	15.4
173.13269	22.9
175.14822	3.4
177.12794	3.4
179.14297	5.2
185.08081	7.7
185.13263	7.7
187.14804	19.9
189.12785	7.5
191.14424	2.6
195.11722	2.6
197.13228	3.2
199.14903	3.2
201.16461	8.3
201.50107	2.5
205.15881	6.0
215.14339	7.2
215.17955	2.7
221.15558	2.3
233.15364	43.9
273.18448	2.8
287.20291	3.8
297.25943	3.7
301.21835	2.6
325.25256	9.6
343.26309	66.8
361.27390	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	361.1985
Annotation	Arg Trp
Peak:m/z	Relative Intensity
50.45633	0.5
55.05500	0.9
56.96556	0.8
61.02934	0.8
67.05480	1.4
69.03457	0.5
69.07059	0.5
69.81405	2.2
79.05475	1.8
81.07045	1.3
88.90442	0.5
91.05469	1.0
93.07049	1.9
94.69302	0.6
95.04989	0.9
95.08578	0.8
98.21545	0.5
101.06631	0.5
105.07030	0.9
107.08608	0.9
108.08919	0.6
119.08559	1.0
121.10139	1.0
130.97470	0.5
145.10127	0.7
157.10130	0.6
202.03784	0.5
227.05951	0.9
245.07037	1.9
263.07944	0.9
277.21689	0.9
340.15704	0.5
343.18585	0.8
361.19843	100.0
361.23593	3.9
362.20184	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10295	0.4
65.61227	0.4
69.70814	2.6
93.07003	0.5
125.01070	0.4
129.01755	0.6
131.85786	0.4
146.41484	0.4
270.82208	0.4
277.14026	0.5
292.16434	0.5
301.17847	0.4
361.23492	100.0
362.23856	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	361.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28667	0.6
55.01866	0.6
55.05491	1.0
69.07067	1.3
69.89793	2.7
79.05475	0.7
81.07056	1.4
84.80307	0.6
86.03396	0.6
91.05476	1.7
93.07018	1.7
95.04984	0.9
95.08603	1.4
95.77256	0.6
98.20846	1.0
103.84974	0.6
105.06971	0.7
109.10157	0.9
119.08548	1.2
125.09662	0.7
129.01840	2.5
131.08545	1.0
133.10130	1.2
135.08089	0.7
145.10123	0.9
183.11684	0.6
185.08131	1.1
197.12985	0.6
263.16245	2.5
331.22485	0.8
361.23502	100.0
362.23871	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	361.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77502	12.0
55.05481	12.9
56.96585	16.9
57.95525	12.7
66.43378	11.7
67.17883	11.1
69.07047	11.7
70.51779	30.1
70.52146	29.0
79.05499	16.2
81.07061	31.3
91.05474	14.0
93.07041	25.5
97.06541	21.5
100.74973	12.0
105.07022	17.7
106.79100	12.6
110.02949	13.6
118.79021	12.0
121.10154	14.8
123.08835	12.1
147.11752	15.4
230.85048	14.0
249.97037	15.4
328.45013	15.8
342.28238	14.8
361.17786	100.0
361.24036	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1985
Annotation	Arg Trp
Peak:m/z	Relative Intensity
51.50019	0.5
58.13018	0.4
61.31087	0.5
67.05496	0.5
69.89590	1.9
70.31773	0.5
70.90966	0.5
87.48947	0.5
109.10191	0.9
119.01059	2.1
133.02621	0.6
147.04195	0.8
180.75990	0.5
199.72714	0.6
217.11934	0.5
289.14172	4.7
290.14865	1.1
291.15765	0.6
341.34464	0.6
361.19855	100.0
362.20224	1.1
373.64685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1494
Annotation	Junipediol A 8-glucoside
Peak:m/z	Relative Intensity
53.03935	0.8
53.88456	0.6
55.01861	2.0
55.05508	1.0
56.96559	0.6
57.03432	1.3
61.02920	1.7
61.34000	0.5
63.27924	0.6
63.97815	0.5
65.03927	1.0
66.46028	0.6
67.05502	2.9
68.13239	0.5
69.03085	0.9
69.03435	11.8
70.70165	1.5
71.04985	0.6
79.05495	30.7
81.03419	3.1
81.07076	2.8
83.04971	1.3
84.08151	0.6
85.02914	7.8
86.09713	0.7
91.05487	6.1
91.19810	0.5
93.07047	10.3
93.50302	0.5
95.04991	3.6
95.08575	1.3
97.02901	3.9
97.06551	0.9
98.97574	0.8
99.04449	1.2
105.07050	4.5
107.04954	2.0
107.08595	21.1
109.02883	1.1
109.06535	3.7
109.10142	0.7
111.04443	2.0
111.08082	1.3
114.15455	0.6
115.03959	1.3
115.05457	1.7
117.07034	4.7
118.08636	0.6
119.06058	0.7
119.08557	1.7
121.06464	1.0
123.04424	2.8
123.08094	1.2
125.09664	0.7
127.03947	4.9
129.05463	0.7
133.06531	0.8
133.75084	0.6
135.08063	23.8
137.09566	0.5
141.05478	14.1
145.04953	1.0
145.06461	0.9
149.54539	0.5
151.07565	0.6
153.09114	6.8
163.07547	100.0
164.07921	1.1
171.10150	1.5
181.08604	34.4
196.32463	0.6
199.09654	21.1
199.73984	0.6
219.01854	0.7
237.02904	0.6
325.12659	1.3
343.13608	1.4
361.14514	1.1
361.18283	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	361.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00048	0.4
69.03423	0.6
70.94747	1.0
85.02920	1.6
90.45712	0.4
95.37732	0.4
97.02876	0.7
98.97594	0.9
125.07125	1.0
127.03911	0.7
145.04961	0.6
164.19028	0.4
180.05598	0.4
181.09764	2.0
183.08145	0.4
189.56082	0.4
190.06499	0.5
198.06694	0.6
199.09575	0.3
199.10866	2.9
207.08083	1.1
235.07591	1.3
239.07079	1.0
252.10207	0.9
279.59393	0.6
281.08197	0.7
297.12387	0.7
298.10867	1.0
343.13608	7.6
361.14709	100.0
362.14957	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34407	5.2
50.84549	5.4
52.91925	4.3
55.05508	35.9
64.46378	4.6
67.05504	95.3
69.07059	20.2
69.99413	14.8
79.05504	26.6
81.07050	26.5
83.04961	4.7
83.08615	15.0
91.05491	14.1
91.46045	4.1
93.07047	12.9
95.08624	23.5
97.06504	7.7
97.10187	20.1
97.95278	4.5
105.07018	15.7
107.08592	45.4
109.10168	88.7
119.08595	12.9
121.10148	8.8
125.09612	26.8
131.08585	8.4
133.10162	11.1
135.08055	7.6
137.09723	5.6
145.10153	11.3
149.09705	4.9
153.09131	7.1
155.10666	52.8
159.11728	7.3
163.11134	5.0
173.11743	82.1
187.13306	100.0
203.12807	41.5
239.17804	6.0
257.19199	7.0
275.20093	37.5
289.21719	6.4
307.22708	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	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01877	5.8
55.05508	42.2
56.96563	8.0
57.03435	12.6
57.64449	3.2
60.27567	3.1
61.02913	10.1
62.86423	3.1
67.05505	78.8
69.03429	11.6
69.07071	41.5
71.04597	5.8
71.04991	100.0
71.56489	6.3
71.86504	4.1
72.25083	3.4
73.02895	3.4
73.06583	3.6
79.05492	72.0
81.03410	8.1
81.07058	81.2
83.04988	9.0
83.08609	20.2
85.02915	11.6
85.06533	4.6
87.08104	5.1
91.03963	8.0
91.05480	44.3
93.07044	63.2
93.99870	3.4
94.24335	4.0
95.04961	9.4
95.08608	41.7
97.02880	6.8
97.06539	33.8
97.10151	22.0
98.97578	7.0
99.04486	3.1
105.07042	31.4
107.04958	8.4
107.08595	56.7
109.06503	6.0
109.10162	44.0
111.08080	12.7
117.07023	10.3
119.08581	26.8
121.10140	56.3
121.10933	6.2
123.08090	6.6
123.11715	4.1
125.09617	16.5
127.03922	5.8
129.07069	4.9
131.08597	13.4
133.06456	3.3
133.10167	20.6
135.08058	7.7
135.11722	17.2
137.06007	19.0
137.09598	5.2
138.06329	4.0
145.10136	14.5
147.11705	14.4
149.09592	11.3
149.13284	9.6
153.12738	29.9
155.10690	15.0
155.68736	3.5
157.10104	5.3
159.08112	3.6
159.11676	12.3
161.13249	3.9
163.11165	6.9
171.11783	3.9
173.11760	54.1
173.13226	6.4
177.12738	8.0
179.14294	5.0
187.11243	4.0
189.11191	25.6
192.07942	6.1
195.13803	17.1
197.13274	4.3
209.15410	3.3
213.14728	5.7
227.16438	64.6
235.16959	4.5
239.17909	7.3
241.64882	3.4
248.12595	3.5
255.77127	3.4
257.19058	9.9
271.13391	4.2
275.20053	76.9
289.21622	10.6
293.21109	12.3
300.12070	3.6
307.22614	14.4
342.17102	9.7
360.18066	14.8
367.46378	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	360.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01863	1.3
55.05501	1.3
56.05021	0.5
56.39645	0.5
56.96551	1.5
57.03418	1.9
61.02927	2.7
67.05495	0.6
69.03432	6.5
69.07062	0.9
70.06568	1.5
70.67500	1.0
71.05003	0.8
72.08168	2.3
72.33646	0.5
73.02908	1.6
75.45591	0.5
76.04659	0.5
79.05495	2.2
81.03416	2.7
81.07052	1.1
83.93886	0.5
84.04495	1.7
84.08133	0.6
84.96006	0.5
85.02905	20.1
86.09705	4.9
87.04458	1.2
87.10011	0.5
89.03913	2.7
91.03964	1.1
91.05471	1.3
93.07041	1.0
95.04945	0.7
96.08058	0.6
97.02894	6.3
97.06496	1.1
98.97570	2.4
99.04462	1.3
102.05589	0.6
103.05496	2.7
105.07015	0.9
107.04941	2.2
107.08585	0.9
109.02875	1.8
110.97587	0.7
111.04387	0.6
116.98668	0.6
117.03379	6.4
118.08627	1.6
125.06005	0.6
127.03932	6.9
128.98607	0.9
129.06679	0.5
129.10280	0.5
131.04945	6.0
135.04419	14.0
135.08081	1.3
137.05963	3.1
138.06305	0.7
139.03929	1.2
142.08649	0.5
145.02853	10.2
145.04945	7.9
147.04398	1.7
149.05998	1.0
158.99654	1.0
163.03909	100.0
163.07475	5.8
164.04216	1.1
165.05511	0.7
175.33278	0.4
175.56366	0.6
179.93198	0.5
180.08731	2.5
180.10097	0.6
181.04962	51.9
181.08382	2.7
193.04982	1.4
197.12900	0.8
198.07576	0.8
198.11328	0.9
199.09677	0.8
199.17938	0.6
215.13991	1.2
219.01761	1.3
237.02950	0.7
239.02319	0.7
360.13141	1.8
360.17444	4.4
365.05405	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.9
55.05510	2.9
56.96555	5.6
57.03419	8.7
58.49963	2.2
60.04515	8.1
61.02914	10.0
65.03912	2.7
67.05506	4.8
69.03429	26.8
69.07056	2.3
69.52087	5.5
69.52491	13.5
70.06587	16.2
71.04985	3.8
72.08154	4.7
73.02921	6.4
79.05492	3.7
81.03412	11.9
81.07061	3.1
84.04500	3.0
84.08134	6.6
85.02907	100.0
86.09695	17.3
87.04424	4.5
91.03947	3.9
91.05479	4.6
93.03379	6.0
95.08591	7.7
96.05192	2.3
97.02895	35.8
97.06538	2.8
98.97573	13.8
99.04437	3.3
103.05492	2.8
105.07023	3.5
107.04965	5.4
107.08563	3.5
109.02876	8.2
109.06513	2.5
111.04452	13.9
116.98661	2.8
117.03385	4.2
119.04965	2.4
121.06485	3.8
127.03914	32.5
129.10225	4.0
131.04922	5.2
134.21901	2.2
135.03502	3.8
135.04419	32.8
137.05969	13.6
138.06276	4.1
139.03902	45.5
145.02852	6.5
145.04959	38.8
146.99802	2.3
147.04414	3.0
148.03911	2.7
149.06026	4.9
153.05482	3.1
162.05441	3.6
163.03920	65.3
163.06013	7.0
163.07436	5.4
165.05487	2.6
167.07027	3.9
177.00684	3.2
177.09122	3.3
180.06438	4.8
180.08679	8.4
181.04959	88.0
190.99881	2.5
198.07590	4.1
198.11235	2.7
199.17953	2.3
214.09265	3.1
219.01775	4.7
226.63579	2.6
237.02820	2.9
337.11487	3.3
343.11978	3.0
343.46967	2.4
360.13541	8.1
360.17801	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	359.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65704	2.4
53.03944	3.1
55.01859	2.9
55.05511	28.3
56.96557	4.6
57.03433	5.3
57.07065	9.5
60.08136	5.7
60.26290	2.1
65.03947	2.2
67.05503	30.4
69.03447	10.8
69.07069	60.8
70.66859	6.7
71.04980	6.6
71.08624	3.8
79.05489	19.0
81.07054	100.0
83.04978	4.0
83.08611	13.3
85.02906	9.9
85.06542	11.6
86.09695	27.0
91.05462	10.9
93.07048	37.5
95.04989	4.7
95.08605	72.5
97.02892	3.8
97.06528	14.2
97.10176	23.2
98.97583	6.9
98.98407	2.3
99.04460	3.2
99.08102	4.9
104.10747	42.1
105.07029	17.3
107.08601	43.9
109.06512	3.3
109.10149	32.4
109.90739	2.2
109.92883	2.2
111.04401	2.8
111.08104	17.9
111.11726	11.9
112.02770	2.1
117.06985	2.7
119.08565	11.0
121.10138	27.3
123.08019	2.6
123.11714	53.5
124.99953	12.3
125.09687	3.8
129.06998	2.8
130.06532	2.4
131.04887	4.8
131.08615	2.7
133.10101	8.7
135.11725	13.8
137.05989	27.0
137.09612	11.3
137.13254	21.4
139.11157	16.7
141.12698	4.0
143.08562	4.1
143.10652	5.1
145.06360	2.0
145.10141	5.7
147.11671	6.6
148.07521	3.0
149.09604	2.3
149.12146	2.0
149.13274	44.2
151.03903	44.6
151.04967	1.5
151.11188	2.6
153.12730	6.6
155.14330	5.6
157.10049	2.2
157.12245	10.5
159.08044	4.6
159.11623	2.7
161.13243	4.9
163.14789	8.8
165.09073	11.3
169.12244	7.9
176.07011	4.8
176.10687	8.8
179.10663	2.2
184.07335	43.7
187.13365	11.6
189.09102	3.1
197.11765	2.5
203.12744	3.0
203.17914	2.4
203.36823	2.2
204.10225	6.2
205.10997	10.1
209.15475	3.2
217.08484	2.7
235.09613	23.7
237.18459	3.9
249.18410	4.2
256.13226	2.5
257.91492	2.5
263.10522	2.5
270.14938	3.7
277.25146	4.4
287.23682	4.9
291.09625	3.0
293.24692	10.2
305.24753	43.1
323.25845	18.8
328.16998	11.0
328.67108	2.6
341.13794	3.8
350.18451	3.7
359.14832	5.4
359.19592	15.6
360.17902	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	359.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65704	2.4
53.03944	3.1
55.01859	2.9
55.05511	28.3
56.96557	4.6
57.03433	5.3
57.07065	9.5
60.08136	5.7
60.26290	2.1
65.03947	2.2
67.05503	30.4
69.03447	10.8
69.07069	60.8
70.66859	6.7
71.04980	6.6
71.08624	3.8
79.05489	19.0
81.07054	100.0
83.04978	4.0
83.08611	13.3
85.02906	9.9
85.06542	11.6
86.09695	27.0
91.05462	10.9
93.07048	37.5
95.04989	4.7
95.08605	72.5
97.02892	3.8
97.06528	14.2
97.10176	23.2
98.97583	6.9
98.98407	2.3
99.04460	3.2
99.08102	4.9
104.10747	42.1
105.07029	17.3
107.08601	43.9
109.06512	3.3
109.10149	32.4
109.90739	2.2
109.92883	2.2
111.04401	2.8
111.08104	17.9
111.11726	11.9
112.02770	2.1
117.06985	2.7
119.08565	11.0
121.10138	27.3
123.08019	2.6
123.11714	53.5
124.99953	12.3
125.09687	3.8
129.06998	2.8
130.06532	2.4
131.04887	4.8
131.08615	2.7
133.10101	8.7
135.11725	13.8
137.05989	27.0
137.09612	11.3
137.13254	21.4
139.11157	16.7
141.12698	4.0
143.08562	4.1
143.10652	5.1
145.06360	2.0
145.10141	5.7
147.11671	6.6
148.07521	3.0
149.09604	2.3
149.12146	2.0
149.13274	44.2
151.03903	44.6
151.04967	1.5
151.11188	2.6
153.12730	6.6
155.14330	5.6
157.10049	2.2
157.12245	10.5
159.08044	4.6
159.11623	2.7
161.13243	4.9
163.14789	8.8
165.09073	11.3
169.12244	7.9
176.07011	4.8
176.10687	8.8
179.10663	2.2
184.07335	43.7
187.13365	11.6
189.09102	3.1
197.11765	2.5
203.12744	3.0
203.17914	2.4
203.36823	2.2
204.10225	6.2
205.10997	10.1
209.15475	3.2
217.08484	2.7
235.09613	23.7
237.18459	3.9
249.18410	4.2
256.13226	2.5
257.91492	2.5
263.10522	2.5
270.14938	3.7
277.25146	4.4
287.23682	4.9
291.09625	3.0
293.24692	10.2
305.24753	43.1
323.25845	18.8
328.16998	11.0
328.67108	2.6
341.13794	3.8
350.18451	3.7
359.14832	5.4
359.19592	15.6
360.17902	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	359.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01867	4.9
55.05512	20.4
56.96550	4.5
57.03431	3.2
57.07054	3.8
61.02900	1.9
65.03938	2.6
66.26861	2.1
67.05509	23.0
68.45509	1.9
69.03408	7.2
69.07072	29.9
70.06573	1.8
71.04973	2.6
71.57042	2.2
79.05497	15.7
81.03405	4.5
81.06602	3.4
81.07059	53.5
83.04960	5.7
83.08618	9.7
85.02885	4.5
85.06525	9.1
86.09705	4.5
91.05470	15.1
93.06490	2.2
93.07044	32.6
95.04946	7.0
95.08611	52.6
97.02882	4.3
97.06544	18.8
97.10173	18.1
98.97564	4.5
99.04467	1.8
99.08117	4.5
103.05450	3.5
104.10709	5.8
105.01857	1.8
105.07056	15.1
107.04973	2.2
107.07986	2.1
107.08604	29.6
109.06499	5.7
109.10173	18.1
111.08067	12.6
111.11725	4.0
117.06996	3.7
119.08581	14.6
121.06491	2.5
121.10146	17.6
122.03627	4.1
123.04408	2.4
123.08067	3.9
123.11718	31.8
125.00002	2.7
125.09653	6.0
127.03909	3.5
129.06969	3.0
131.04935	4.7
131.08530	6.8
133.10149	13.5
135.11707	9.4
137.05026	2.7
137.05988	48.8
137.13295	9.7
139.11139	8.9
141.12738	2.6
143.08508	4.1
143.10629	4.6
145.10097	4.1
147.11661	8.1
149.01147	2.5
149.05959	3.6
149.13271	23.0
151.03928	2.9
151.07568	2.5
151.11147	4.6
153.12694	3.8
155.08459	1.9
155.14279	3.4
157.10051	6.3
157.12222	8.0
159.08095	2.3
159.11674	3.5
161.13257	2.7
163.03880	1.9
163.07530	3.2
163.14793	6.5
169.09973	2.4
169.12303	2.4
171.11658	4.6
173.13232	5.2
175.14763	2.3
177.16348	2.1
178.05005	8.5
183.11658	2.3
184.07388	9.5
185.13210	2.4
187.13286	7.5
187.14798	3.7
197.06041	2.5
198.06390	3.1
200.07069	2.0
201.07753	10.8
202.08203	11.4
203.12712	2.6
213.16402	2.1
215.14020	2.2
225.08711	2.1
231.08138	2.4
239.76147	2.0
250.59863	5.6
277.25299	3.0
287.23679	3.7
291.09918	2.6
293.24704	6.3
305.24786	20.9
323.25937	10.1
327.17871	11.8
341.13724	3.4
341.17340	3.2
341.21167	2.8
342.17123	2.9
359.20432	100.0
360.21164	2.7
361.62863	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00515	0.9
51.06767	0.7
55.01865	1.5
55.05512	4.8
56.96572	10.0
57.03436	3.7
57.07072	0.8
61.02924	6.0
67.05172	1.4
67.05506	16.1
69.03420	4.1
69.07069	7.0
70.07409	0.8
70.08299	1.6
70.08683	2.1
71.04974	1.0
73.02914	7.0
75.01051	0.8
79.05484	3.6
81.03412	2.1
81.07065	10.5
83.08607	2.1
84.01534	2.0
84.96041	1.5
85.02920	3.8
87.04453	0.7
91.03954	2.7
91.05467	3.3
93.07036	3.3
95.08614	8.9
96.01543	1.2
97.02899	8.1
97.10173	1.1
98.97585	14.6
99.04437	1.1
100.99143	0.9
103.02321	0.9
104.01322	1.0
105.02058	1.5
105.07047	2.6
107.08579	1.8
109.02309	2.4
109.02947	0.9
109.10159	1.7
110.01277	2.5
110.97573	4.3
111.02071	1.8
112.99133	5.9
116.98623	3.4
117.02080	1.8
118.02856	1.5
119.00136	0.7
119.01810	5.0
119.08561	2.1
121.10146	1.6
124.99136	1.5
127.03918	1.6
128.98599	1.9
131.00174	19.7
131.01790	1.0
131.08524	0.9
133.10130	1.3
135.11734	1.1
137.05981	6.7
137.13254	0.8
138.02548	1.1
140.98590	1.0
141.92961	0.7
143.00175	2.7
147.03096	11.4
149.00305	0.5
149.01222	22.1
152.98592	1.9
156.03629	23.4
156.53787	1.5
158.99657	7.4
161.01222	1.2
163.07555	0.9
167.02330	2.3
167.54408	6.5
170.99673	3.3
172.02841	2.5
173.01175	1.2
177.00708	3.8
181.91278	0.8
182.03415	1.2
187.11136	1.1
189.00705	1.4
191.02287	4.4
201.00644	1.3
203.02293	2.3
217.03906	2.1
219.01768	2.7
219.05299	1.4
221.03128	0.8
228.05717	8.2
233.03244	1.0
236.90358	0.7
237.06219	1.3
248.57037	2.3
261.02728	1.5
278.14584	34.7
278.64716	7.0
279.03821	1.5
293.05533	5.1
298.65970	3.8
299.18536	0.9
300.10495	0.7
300.18875	2.7
311.06479	2.3
316.18158	1.3
317.19666	2.0
318.19885	7.3
319.19504	3.6
321.04791	1.0
336.20993	6.2
337.20450	3.2
337.27301	1.3
341.21423	1.1
350.16534	2.7
359.17230	100.0
359.37128	1.7
359.67380	25.2
379.68628	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.01863	4.4
55.05490	3.9
56.96579	6.4
57.03434	3.2
59.24028	1.3
61.02914	5.3
67.05494	3.9
69.03431	13.6
69.07050	3.3
70.06599	12.7
71.01353	1.4
71.04980	3.7
71.56397	2.2
72.08163	21.0
73.02898	4.5
79.05460	2.6
81.03417	6.2
81.07047	3.5
84.04493	1.5
84.08125	3.2
85.02911	41.8
85.66485	1.3
86.09707	12.2
87.04461	3.4
91.03946	2.5
91.05486	8.6
93.07032	5.9
95.04984	2.2
95.08589	4.3
97.02895	13.9
97.06512	2.9
98.97586	9.2
99.04455	3.0
105.07024	8.3
107.04989	2.3
107.08598	55.0
109.02871	5.3
109.06525	2.4
109.10167	9.5
110.97578	2.5
114.05536	1.7
116.98624	4.1
119.08554	3.0
120.08062	1.3
121.06496	3.1
123.08046	1.5
127.03911	9.0
131.00182	1.4
131.04950	2.9
131.08591	1.6
133.10129	22.3
135.08063	1.9
135.11711	10.5
137.06000	26.8
137.09612	7.4
138.68755	1.3
143.11803	2.0
145.04967	9.2
147.04472	1.6
149.09541	1.8
151.11209	2.8
158.99695	3.0
161.09645	8.3
163.07544	1.8
179.10657	23.4
179.12173	1.8
189.12392	1.6
195.04396	1.3
197.04814	1.9
197.11725	100.0
203.55502	1.4
215.05942	4.6
219.01703	3.6
225.17694	1.5
228.13477	2.5
233.07155	2.3
235.05476	4.0
237.02794	1.6
239.74239	1.9
241.04974	1.7
269.04379	4.8
291.10196	1.8
299.10306	1.8
313.07120	1.9
323.05524	2.1
323.13120	1.4
341.14072	2.3
359.10614	7.0
359.11899	8.4
359.16684	58.8
359.20447	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	359.17
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.05499	1.0
57.03419	0.9
61.02928	1.0
67.43964	0.7
69.03424	3.3
69.81099	3.6
73.02885	1.1
79.05505	1.7
81.07043	2.6
85.02924	8.2
86.09708	1.5
87.04471	0.8
91.05471	2.4
93.07038	5.8
95.08602	1.4
97.02895	2.5
98.20847	1.5
105.07033	5.5
107.08595	27.1
109.02874	0.9
109.10086	0.9
109.34967	0.7
119.08584	4.6
121.06508	1.3
121.10138	4.1
126.08559	0.7
133.10126	15.4
135.11757	0.8
137.05943	2.5
137.09599	1.1
145.04962	1.2
149.09630	2.8
151.11185	6.9
154.58286	0.9
161.09644	5.4
167.10684	11.6
171.10893	0.7
179.10684	15.7
197.11743	100.0
198.12093	1.4
204.23940	0.8
245.59546	0.9
298.86288	0.9
310.70682	0.9
359.16772	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03940	0.9
55.05507	1.0
57.03425	1.4
59.04979	1.0
59.58187	0.6
61.02918	1.6
67.05472	0.7
69.03441	3.2
69.21951	7.1
70.58497	0.7
70.65805	0.7
73.02881	1.0
79.05458	0.8
81.03409	2.4
81.07082	0.9
85.02908	17.0
85.03972	0.7
86.09700	2.7
91.05498	3.7
93.07037	6.1
95.04958	1.5
95.08601	0.7
97.02904	4.2
98.20796	1.5
105.07028	5.3
107.08597	17.1
109.02874	2.0
109.06503	1.1
109.10115	1.6
113.06030	0.8
114.49778	0.8
119.08582	3.2
121.06501	1.8
121.35291	0.7
123.04430	0.8
123.11694	1.1
127.03913	3.1
131.11803	0.8
133.10133	18.4
135.11702	18.3
137.06015	4.3
137.09579	1.5
145.04945	2.7
151.11142	2.0
161.09608	10.2
175.57089	0.8
179.10680	35.3
197.11736	100.0
228.13397	1.2
359.16541	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1487
Annotation	4,6,4'-Trihydroxy-2,3'-dimethoxy-3-prenylbenzophenone
Peak:m/z	Relative Intensity
53.03933	1.1
55.01875	0.6
55.05510	2.0
56.96547	1.0
57.03444	0.6
57.07071	0.6
59.21730	0.5
62.55337	0.6
62.60041	0.4
65.03940	2.5
67.05518	2.7
69.03414	1.0
69.07070	1.0
71.56940	0.6
73.33730	0.5
79.05497	1.5
81.03407	1.3
81.07045	2.2
83.05004	0.8
83.08607	0.8
85.02884	0.9
91.05502	3.4
93.03411	0.9
93.07043	2.0
95.04971	1.7
95.08606	1.5
97.02958	0.6
97.06533	1.9
97.68040	0.5
98.97592	0.8
100.11288	0.6
103.05453	0.9
105.07031	2.2
107.08576	1.2
108.02103	2.0
108.59405	0.5
109.06499	1.1
109.10185	0.9
111.04446	1.1
112.01548	0.6
116.01692	1.0
117.07017	1.0
119.04928	1.5
119.08627	1.2
121.06515	0.8
121.10162	0.9
122.03647	1.2
123.08166	0.5
123.11665	0.6
125.05987	2.2
129.06982	1.2
131.04950	0.8
131.08624	2.4
133.10112	1.2
135.11751	0.6
137.05983	18.2
141.05479	2.2
142.07736	0.6
145.06490	2.2
149.09636	0.5
151.03914	100.0
151.05009	7.7
151.07483	4.5
153.05486	8.0
157.06529	2.2
159.08087	2.4
161.06070	0.6
162.02222	1.6
162.06769	2.0
163.07544	1.0
165.05540	0.5
173.13307	0.9
174.06821	1.7
175.07613	0.9
177.09178	1.9
184.07410	0.6
185.06033	0.6
185.13226	0.6
189.09148	2.6
190.06255	1.1
191.10710	1.6
197.13329	0.7
205.08604	9.7
205.10365	0.9
214.57829	0.5
217.08624	4.3
219.08072	0.5
235.07507	1.1
235.09665	9.6
235.11861	0.8
248.08276	0.6
253.08676	0.7
261.09064	0.6
276.07974	0.5
279.10291	2.4
284.10507	0.8
285.07352	0.7
286.08212	0.6
291.10367	1.2
296.10522	1.6
311.12772	9.6
313.62009	0.5
341.13788	3.0
341.20923	1.0
350.16721	0.8
359.14377	2.5
359.22049	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	4,6,4'-Trihydroxy-2,3'-dimethoxy-3-prenylbenzophenone
Peak:m/z	Relative Intensity
53.03937	0.3
55.01864	0.4
55.05514	0.6
65.03949	1.0
67.05527	1.3
69.07082	0.4
69.29365	2.5
79.05515	0.5
81.07079	0.5
83.04987	0.5
85.02916	0.3
91.05484	0.8
93.07037	0.4
95.04966	0.7
97.02893	0.2
97.06528	0.3
105.07042	0.4
107.08642	0.4
108.02089	1.4
111.04411	0.3
111.91318	0.3
112.01597	0.4
119.04923	0.3
119.08600	0.5
121.06535	0.4
122.03591	0.2
123.04468	0.3
125.49461	0.3
128.06238	0.3
129.07028	1.2
131.04903	0.4
131.08588	0.9
137.05978	4.3
141.05484	1.2
147.04434	1.1
147.08092	0.9
149.06018	0.4
151.03914	100.0
151.04970	5.5
152.04225	0.3
157.06491	1.8
159.08061	1.8
174.06813	0.6
175.07568	0.7
176.08301	0.4
179.10652	1.4
186.49408	0.3
189.09120	1.3
191.10683	0.4
193.34373	0.3
194.15334	0.3
202.06201	0.3
203.07216	0.4
207.10233	0.6
217.08632	2.3
235.09662	58.8
236.09956	0.6
267.10355	0.4
283.09683	0.7
326.11502	0.5
341.13669	0.5
359.14841	6.1
359.21930	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.2
55.76748	0.1
57.07076	5.3
57.90852	0.1
58.06585	0.5
62.06067	0.4
64.09293	0.1
64.55811	0.1
69.07056	0.3
69.91195	0.7
70.06593	10.3
71.00816	0.1
71.08292	0.2
71.08635	2.6
75.45788	0.2
77.11416	0.2
79.05489	0.2
81.07033	0.3
83.08601	0.2
85.10171	1.2
88.07630	13.2
102.09182	3.4
106.08668	7.3
107.08565	0.2
120.69212	0.2
137.05949	0.6
189.31555	0.2
314.34222	0.7
340.35739	6.1
358.36777	100.0
359.37183	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
55.01875	2.2
55.05509	10.2
57.03445	3.1
57.07076	5.9
64.95894	1.5
65.41412	1.8
66.03007	1.5
67.05509	20.4
69.03462	2.2
69.07059	8.8
69.89645	4.1
69.90035	3.5
70.06600	11.9
71.05000	30.5
71.08634	7.1
75.25111	1.6
79.05489	12.3
81.07066	31.7
83.04987	5.7
83.08620	6.7
84.63543	1.9
85.06557	6.9
85.10214	2.0
85.49443	1.7
88.07629	12.1
91.05469	9.5
91.95447	1.8
93.07046	25.0
95.04973	5.9
95.08613	17.7
97.06532	6.0
99.08087	3.7
100.11261	2.3
102.09187	3.5
105.07030	8.7
106.08670	8.0
107.08600	8.9
109.10145	6.3
111.08153	1.9
117.07050	4.0
119.08562	5.2
121.10145	5.5
123.08090	2.8
125.09629	2.1
131.08559	7.0
133.10123	9.2
135.11694	10.4
137.06000	8.0
139.11185	9.7
144.65398	1.8
147.11671	2.4
149.13266	8.0
151.11127	2.2
157.10129	3.1
159.11685	12.3
165.12738	1.9
175.14825	2.0
177.12753	17.5
209.15364	6.6
241.17963	13.2
277.21664	12.0
291.23169	2.8
309.24283	4.4
340.35788	6.2
358.36807	100.0
374.25586	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51190	2.1
55.01871	2.6
55.05510	15.6
56.32325	2.1
57.03441	4.4
57.07067	9.1
65.03944	2.0
67.05507	29.4
69.07068	14.8
70.06583	8.5
71.00560	3.8
71.04996	34.7
71.08355	2.1
71.08637	23.2
79.05490	22.7
81.07056	37.3
83.04976	8.2
83.08616	9.0
84.90604	2.0
85.06528	5.9
88.07638	12.4
91.05479	16.5
93.07056	32.7
95.04983	8.2
95.08598	25.0
95.78691	1.9
97.06525	9.5
97.10153	4.6
99.08100	22.3
100.11261	3.5
102.09179	4.0
105.07033	13.8
106.08659	7.6
106.67287	2.1
107.08591	17.7
109.06521	3.7
109.10152	8.2
109.53030	2.0
114.25011	2.3
117.07032	5.2
119.08614	13.1
121.10136	11.0
123.08094	2.7
125.09651	2.2
129.07010	3.4
131.08563	5.1
133.10124	11.9
135.08113	2.4
135.11690	13.3
137.05937	8.2
137.09550	2.9
139.11197	12.5
139.12183	2.0
145.10141	4.3
147.11705	6.0
149.13306	11.3
151.11197	7.3
157.10164	3.0
159.11674	19.3
160.20047	2.0
161.13304	7.8
163.11194	5.0
175.14842	2.5
177.12805	16.0
179.14383	2.8
209.15375	7.4
226.17996	2.8
241.17682	12.3
259.20581	6.5
277.21649	25.7
291.23355	10.4
309.24234	7.0
340.35837	5.8
358.36801	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01872	2.3
55.05263	1.6
55.05512	19.0
56.96561	1.1
57.03437	2.0
57.31606	1.1
67.05511	11.0
68.05028	5.1
69.03432	38.1
69.06169	1.0
69.07065	10.4
70.06593	3.2
71.04993	2.8
71.56409	1.5
72.08163	15.9
79.05504	10.7
80.05012	5.8
81.03416	12.8
81.07072	11.9
82.06562	1.4
82.80576	1.2
83.04978	4.2
83.08623	17.6
84.08125	1.4
85.02910	2.8
86.09711	8.8
91.05467	6.9
93.07053	7.1
94.06591	1.3
95.04964	8.4
95.08606	4.8
96.04523	1.1
96.48102	1.2
97.02913	2.1
97.06535	9.9
97.10178	30.9
98.97584	2.6
104.10748	2.9
105.07040	6.1
107.04939	3.4
107.08597	10.8
108.08128	1.2
109.06519	2.9
109.10148	3.9
110.09673	4.8
111.08070	3.7
117.07018	2.3
118.08383	1.2
119.04974	1.6
119.08600	5.3
121.06498	1.3
121.10153	3.9
122.09673	33.6
123.08043	1.2
123.11720	2.4
124.11239	6.2
125.09639	24.0
129.07057	1.4
131.08575	4.0
133.06497	2.0
133.10133	2.4
135.08052	3.9
135.11690	1.6
136.11188	2.0
137.05972	8.5
143.10678	2.0
145.10001	1.6
147.11671	2.4
149.09570	2.3
157.10118	3.2
159.08005	1.7
162.24249	1.2
171.06795	4.4
171.10080	1.8
172.07608	1.5
175.11226	2.6
184.07375	7.6
187.13248	1.4
189.11238	12.7
193.12279	17.1
199.18088	1.7
200.07072	3.0
200.10770	4.3
201.07849	14.5
202.08723	2.3
211.13298	27.2
219.13768	1.8
223.13292	8.2
226.12204	1.4
230.11784	4.1
236.16400	3.6
237.14964	2.5
238.09412	1.2
243.09039	1.3
254.11783	1.2
254.17451	2.6
279.19604	3.7
290.21161	3.7
297.13629	7.9
298.14389	3.6
308.22189	49.2
310.23691	4.0
326.17438	26.7
326.23254	100.0
327.23611	2.9
329.16180	3.3
340.24826	70.4
358.16577	3.4
358.20120	57.5
358.25739	11.2
359.19919	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.2
55.01869	7.7
55.05517	16.1
57.03435	18.8
65.03932	3.2
67.05177	4.0
67.05506	54.2
69.03436	3.2
69.07071	88.8
69.23018	4.6
69.23413	27.7
71.05001	39.5
73.02916	6.4
79.05494	63.8
81.03418	32.5
81.07063	68.1
83.04977	7.1
83.08609	8.3
85.06525	10.6
89.08823	2.9
91.05487	39.6
93.07047	62.9
94.55336	3.4
95.04969	37.0
95.08620	28.4
97.06535	100.0
98.21552	7.3
99.08108	12.8
105.07035	33.5
107.04946	14.8
107.08575	28.2
109.06503	28.6
109.10149	6.5
111.08083	6.3
113.06023	6.6
115.05479	4.2
115.07574	74.0
117.07019	20.4
119.08586	17.3
121.06516	7.6
121.10133	18.9
123.08059	6.2
125.09644	4.8
129.07008	10.9
131.08553	23.2
133.10120	20.5
133.10951	3.4
135.08055	12.8
135.11688	14.7
137.09587	5.3
143.08548	10.6
145.10114	22.1
147.08072	6.4
147.11676	8.4
149.09618	8.4
149.13249	13.9
151.11192	4.2
157.10133	14.6
159.11722	28.4
161.09677	7.6
161.13232	5.4
163.11226	9.4
169.10112	3.7
171.11670	9.8
177.12769	17.5
181.09930	4.7
183.11813	5.8
187.11186	5.0
195.13824	7.9
201.12735	6.2
205.12250	4.1
217.15869	6.5
219.13853	6.1
233.15398	6.9
237.14734	6.5
245.18919	3.9
255.17352	3.7
273.18488	17.7
291.19641	6.5
305.21042	7.8
351.97888	3.5
356.53049	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	358.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12954	1.6
53.03935	1.7
53.24274	1.5
55.01863	2.7
55.05504	8.1
56.85383	1.7
57.03436	8.1
67.05505	23.1
69.03416	2.1
69.07069	28.3
71.04992	8.8
71.07924	4.1
73.02943	2.6
79.04645	1.4
79.05490	27.6
81.03430	10.6
81.07048	23.8
83.04977	6.0
83.08614	5.3
85.06534	3.0
91.05480	19.4
92.73187	1.5
93.07045	19.8
95.04974	11.7
95.08608	14.2
97.06528	100.0
97.10183	1.7
99.08100	4.1
102.76634	1.7
105.07038	16.2
107.04959	4.2
107.08585	11.1
109.06516	5.0
109.10159	5.3
111.08056	3.5
115.07569	17.6
117.07008	7.7
119.08589	10.2
121.06500	5.5
121.10128	6.8
123.08071	3.2
123.11848	1.8
126.20081	1.8
128.06145	2.3
129.07008	3.1
131.08546	9.4
133.06450	1.7
133.10143	12.3
135.08076	3.2
135.11691	6.1
143.08586	4.1
145.10107	6.6
147.08061	2.0
149.09608	4.7
149.13269	6.9
151.11180	5.7
153.09177	1.7
157.10156	3.3
159.11684	8.3
161.13324	2.0
163.11154	2.4
169.10138	2.0
173.13252	2.9
175.11121	1.9
177.12700	4.2
177.65111	1.7
183.11821	2.7
183.13797	2.6
195.13820	3.4
201.12668	2.0
213.12807	1.9
217.15840	2.1
221.15437	3.0
237.14810	2.8
273.18445	5.7
291.19730	3.1
305.21075	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	357.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
55.05505	1.1
56.05037	2.4
56.96566	0.9
57.03429	0.4
57.06816	0.3
57.07074	2.0
58.73155	0.2
60.50751	0.2
67.05503	3.1
68.05843	0.3
69.03427	0.4
69.07074	1.7
69.31089	0.2
69.75817	0.8
71.05000	0.5
71.08635	1.3
72.94688	0.2
73.02918	0.2
79.05495	1.9
80.05838	0.2
81.07052	2.6
82.07389	0.2
83.04990	0.7
83.08617	0.5
84.08144	100.0
85.06540	0.5
85.08495	0.6
85.10194	0.4
86.09711	0.2
87.04454	0.2
87.76355	0.2
90.15688	0.2
91.05465	1.2
92.05802	0.2
93.07033	1.7
93.07490	0.2
95.04974	0.7
95.08616	1.8
97.06535	1.1
97.07052	0.2
97.10176	0.8
98.21449	0.3
98.97582	2.0
99.08093	0.2
105.07037	1.3
106.07358	0.3
107.04984	0.2
107.08590	1.0
108.08983	0.2
109.02893	0.2
109.06527	0.7
109.10166	1.0
110.10545	0.3
111.04453	0.3
111.08074	0.3
112.07626	0.6
115.07516	0.2
116.98634	0.9
117.07017	0.4
119.06190	0.1
119.08572	0.9
121.06551	0.2
121.10094	0.4
123.08058	0.5
123.11732	0.3
125.09644	0.7
129.07028	0.4
129.10268	1.6
130.08638	9.8
131.00200	0.4
131.08569	0.5
133.06468	0.2
133.10118	1.0
134.10474	0.4
134.99687	0.2
135.08073	0.5
135.11783	0.2
137.06003	0.4
137.09612	0.3
140.00153	0.2
143.08578	0.3
145.06516	0.3
145.10107	0.2
147.11273	3.6
149.01266	0.5
149.09535	0.2
151.03923	3.4
151.05043	0.4
151.07664	0.3
151.11145	0.6
152.11523	0.5
159.08051	0.3
159.11664	0.3
175.07559	0.2
177.09381	0.2
184.14259	0.2
188.93839	0.2
189.09183	0.4
189.11182	0.2
192.06648	0.2
202.69234	0.2
203.07196	0.2
203.10738	0.2
205.08580	0.3
217.08316	0.5
253.18039	0.2
257.11288	1.0
265.11246	0.4
273.18494	0.4
283.12180	0.6
288.12231	0.3
290.18311	0.4
291.19583	0.6
293.05280	0.2
294.27902	11.2
311.12268	0.2
311.30539	0.5
325.13245	1.8
327.12369	0.3
335.20712	0.5
339.19067	0.8
343.14203	0.4
353.21533	0.2
357.13446	0.4
357.20157	8.6
357.31113	24.1
358.16452	2.0
358.20596	0.5
366.15640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2998
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03949	4.7
55.05513	58.8
57.03424	9.7
57.07075	34.9
67.05180	3.9
67.05508	67.4
69.07071	86.9
70.06570	9.2
71.04983	6.1
71.08625	21.5
71.57010	3.9
75.04456	3.2
79.05500	42.4
81.07063	69.8
83.08620	55.7
85.10182	7.8
86.09711	3.0
88.07618	9.9
91.05494	10.1
93.07042	46.6
95.04947	3.8
95.08057	5.1
95.08611	73.8
97.06557	22.3
97.10175	34.3
99.08061	3.6
105.07041	6.5
106.08666	5.2
107.08586	33.4
109.10162	39.3
111.08080	14.0
111.11709	10.5
113.09622	3.6
119.08562	5.3
121.10152	68.2
123.11713	13.4
125.09658	5.8
133.10130	5.9
135.11693	48.8
137.13239	4.2
139.11194	5.3
145.10110	7.1
147.25557	3.1
149.13271	23.0
149.56482	2.8
151.14798	6.8
153.12819	4.1
163.14833	10.3
165.16437	8.2
177.16383	8.2
191.18083	3.7
247.24226	68.4
265.25275	73.9
279.28793	3.0
283.26291	3.8
339.28931	46.5
339.34647	7.0
357.24155	5.1
357.30502	5.9
357.35559	100.0
361.17145	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2636
Annotation	Ligantrol
Peak:m/z	Relative Intensity
50.75705	2.2
53.03934	4.0
55.01857	2.0
55.05515	45.9
57.03426	2.3
57.07059	5.2
65.60213	2.0
67.05512	15.5
67.05814	3.1
69.03430	3.1
69.07073	25.0
70.53119	2.2
70.53473	7.1
71.04977	2.2
73.02924	2.6
75.43467	2.3
79.05480	8.8
81.07060	50.8
83.04978	3.0
83.08614	8.8
85.06546	6.6
86.09705	2.7
93.07048	13.3
95.04983	4.2
95.08616	39.9
97.06534	9.7
97.10175	100.0
98.97578	3.6
99.08080	4.8
101.05965	2.7
105.07027	11.2
107.08585	10.4
109.06544	3.8
109.10169	17.1
111.11747	5.7
117.07064	2.3
119.08584	7.4
121.10143	15.4
123.08076	3.3
123.11710	15.8
125.09634	15.7
125.79362	2.2
131.08569	2.8
133.10094	4.4
135.11661	7.1
135.20827	2.3
137.05966	3.6
137.13196	2.3
139.11208	13.0
143.10687	38.8
145.10127	3.8
147.11668	7.4
149.13217	4.7
151.03918	23.3
151.05006	4.1
151.07532	3.5
151.14810	7.0
153.12762	2.8
157.12248	9.2
159.11803	4.3
161.13254	3.6
162.98920	3.4
163.14784	2.4
165.09154	2.6
165.12816	5.5
171.10167	6.7
171.11539	2.8
177.09131	3.1
177.12775	3.1
179.14262	2.6
183.13850	2.5
189.11241	7.8
203.07123	2.3
222.50008	2.5
275.23621	3.6
291.22974	2.7
297.10025	2.3
303.23166	9.1
309.24139	5.8
321.24295	35.1
327.12305	4.2
339.12463	2.6
339.25418	14.2
357.13303	12.7
357.18039	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	357.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
55.05511	39.0
56.96552	6.5
57.03429	3.2
57.07064	3.3
58.00815	1.5
67.05502	13.0
69.03432	5.2
69.07069	24.4
70.06574	1.7
71.04966	3.0
71.08668	1.5
72.08153	2.4
79.05493	8.8
81.03395	1.6
81.06580	3.1
81.07053	39.9
83.04984	2.4
83.08613	6.4
85.02878	2.3
85.06532	4.6
86.09723	2.1
91.05485	6.2
93.07040	16.7
95.04993	8.1
95.08612	39.4
97.02876	3.0
97.06548	15.3
97.10171	100.0
98.21516	5.4
98.97594	3.5
99.08084	3.8
103.05473	2.0
105.07027	12.7
107.04984	2.5
107.08599	13.0
109.06509	5.0
109.10156	15.9
111.08112	2.5
116.98603	2.3
119.08592	10.4
121.10126	12.9
123.08034	2.7
123.11704	15.4
125.09629	18.9
129.06996	2.3
130.93021	1.7
131.08568	3.4
133.10130	7.0
135.08037	2.2
135.11694	5.6
137.05977	10.6
137.09596	3.0
137.13243	3.2
139.11163	8.7
143.10667	35.8
145.10130	6.1
147.11665	8.1
149.13245	6.5
151.03963	2.2
151.07515	2.3
151.14799	4.4
157.10092	3.8
157.12238	5.7
159.11670	6.8
161.13287	2.4
163.07596	1.9
165.09102	3.4
165.12683	5.5
167.07086	3.2
171.10161	5.8
172.03943	1.9
173.13309	2.8
177.12758	1.7
179.03099	1.7
179.14334	3.4
181.08658	1.6
183.08159	2.0
183.11565	2.0
185.09621	1.7
189.11143	10.4
204.06506	2.1
229.07375	1.9
243.08998	2.3
257.10587	2.2
275.23639	1.9
277.21475	1.8
285.09909	3.8
291.23166	2.6
297.10226	3.6
297.17609	2.1
303.23169	10.9
307.09729	2.0
309.24380	4.1
321.24252	28.3
325.10559	1.9
339.11981	2.5
339.25302	17.8
357.13080	6.4
357.20651	3.7
357.31009	2.2
358.20010	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.7
54.48442	1.7
55.01883	1.9
55.05512	38.6
56.96551	1.9
57.03426	2.6
57.07085	2.9
60.61274	1.9
67.05502	12.9
69.03407	5.7
69.07066	22.6
71.04996	3.1
71.56264	1.7
71.56652	2.4
72.89385	1.8
73.02895	3.8
79.05475	5.9
81.03419	3.7
81.07059	35.9
83.04984	2.3
83.08614	7.0
85.02914	5.2
85.06510	3.8
86.09699	2.4
91.05471	8.5
93.07037	14.3
93.23106	2.0
94.74026	1.8
95.04974	5.3
95.08606	34.7
97.06535	9.4
97.10172	100.0
98.97581	6.6
101.06046	2.4
105.07036	9.4
107.04952	2.7
107.08596	13.6
109.06538	2.4
109.10153	16.9
111.08064	4.5
113.89555	1.9
119.08559	10.0
121.06452	2.8
121.10171	9.6
123.08101	2.1
123.11716	15.3
125.06009	2.2
125.09622	20.9
129.07010	2.1
130.05034	2.2
131.08563	3.6
133.10127	6.2
135.11688	4.5
137.05957	6.2
137.56061	2.3
138.06291	1.9
139.11182	7.2
143.10674	38.4
145.10121	4.9
147.11693	4.7
149.13261	3.7
151.03906	20.4
151.05011	2.7
151.07535	4.1
151.11192	2.4
151.14816	5.7
153.05521	2.3
157.12239	4.9
158.99686	2.2
159.11665	3.8
161.05998	4.2
161.13260	4.9
163.03912	1.9
165.12675	2.9
171.10130	7.5
171.11531	2.1
173.13278	3.5
187.07506	1.9
189.11157	11.3
198.81779	1.8
215.07028	2.0
285.22211	2.3
303.23270	8.9
309.24249	6.6
312.97098	2.0
321.24207	30.3
326.11517	3.2
339.12231	2.1
339.25394	14.1
357.13629	8.1
357.18829	82.8
358.19907	5.6
378.73935	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	357.2636
Annotation	Ligantrol
Peak:m/z	Relative Intensity
53.03933	3.3
55.01869	3.8
55.05275	2.8
55.05515	36.9
56.96579	7.3
57.03429	4.1
57.07072	1.6
61.02914	2.5
62.85444	1.5
67.05505	14.6
69.03419	5.2
69.07068	21.9
71.04993	1.5
71.56366	2.4
73.02913	2.8
76.20576	1.5
79.05489	10.2
80.12842	1.4
81.03410	3.4
81.06599	1.6
81.07058	30.3
83.04962	2.9
83.08606	7.2
85.02895	4.2
85.06525	3.1
91.03962	1.4
91.05494	9.0
92.62181	1.8
93.07038	11.8
95.04951	5.8
95.08605	38.4
97.02878	3.0
97.06538	9.1
97.10174	100.0
98.97579	6.9
99.08065	2.2
103.05482	4.0
105.07046	9.4
107.04963	3.1
107.08585	10.8
109.02906	2.1
109.06498	3.4
109.10149	15.6
111.08062	2.7
117.07012	2.0
119.04929	1.6
119.08585	9.2
121.06475	2.8
121.10152	8.2
123.04444	1.6
123.08047	1.7
123.11713	8.3
125.09624	18.0
129.07014	1.8
131.04904	6.1
131.08589	3.8
133.10150	8.9
135.08075	2.3
135.11668	4.6
137.05984	17.6
137.09546	3.1
139.11162	5.0
143.08516	2.1
143.10674	36.2
145.10168	3.9
147.11655	3.8
149.01141	1.8
149.09650	1.8
149.13258	5.1
151.03922	3.8
151.07535	4.2
151.14798	5.1
155.70236	1.6
157.10104	3.4
157.12242	2.6
159.11702	5.1
161.09569	1.7
161.13219	3.2
161.63602	1.7
163.07547	5.2
165.09079	1.8
165.12759	3.7
167.07007	3.5
167.10741	2.8
171.10115	5.3
171.11597	3.5
173.06041	1.8
177.05577	1.6
181.08556	2.6
189.11272	8.1
203.06992	2.5
203.10641	3.8
224.08136	1.8
229.07457	3.7
233.15483	1.8
266.29074	1.6
270.02609	1.8
276.05637	1.6
277.21719	2.2
291.23373	2.1
303.15994	3.0
303.23148	6.5
309.24121	3.5
321.24234	25.7
327.11960	2.1
339.25403	14.0
348.15112	2.1
357.13019	2.2
358.16312	2.2
358.20325	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	357.1332
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
50.42502	0.9
53.03933	1.5
55.01883	1.1
55.05503	1.9
56.96544	1.0
57.03434	1.4
61.02900	1.5
65.03920	1.1
67.05499	3.6
69.03406	1.2
69.07062	2.1
69.52620	1.9
69.53027	4.7
72.22428	0.9
73.02922	1.4
75.39646	1.0
78.74700	0.9
79.05522	4.3
80.01977	0.9
81.02971	0.7
81.03403	5.7
81.07046	3.4
83.04993	1.2
83.08613	2.0
85.02894	1.8
91.03938	1.1
91.05476	4.3
93.07033	2.6
94.04167	2.2
95.04956	3.4
95.08609	2.1
97.02881	1.3
97.06522	3.5
98.97594	2.0
103.05467	2.2
105.07011	2.8
107.04946	3.1
107.08595	3.3
109.06507	3.2
109.10149	2.2
111.04442	2.0
111.08062	1.1
115.05459	2.8
117.07018	3.0
119.04966	0.8
119.08601	1.8
120.73734	0.9
121.06500	1.2
122.03638	7.7
123.04433	1.2
129.06985	3.4
131.04935	3.5
131.08583	2.4
133.02776	1.3
133.10152	1.3
133.26740	0.9
135.08081	1.3
135.11771	1.1
137.05978	100.0
139.07500	1.1
141.05518	1.7
143.04955	2.9
143.08527	1.6
144.05672	1.6
145.06512	8.1
146.03664	1.2
149.05980	3.6
149.09605	0.9
151.03909	42.9
151.05009	3.8
151.07472	1.7
153.05464	2.4
155.04865	2.0
157.06520	2.9
160.05244	5.5
161.06003	3.7
163.07602	1.6
165.05463	10.6
167.07086	1.1
167.57957	0.9
172.05157	2.2
173.11784	1.1
173.13229	1.0
174.06775	4.2
175.07544	11.3
177.05504	3.1
177.09125	2.8
181.08545	1.5
187.07529	9.3
188.04749	1.3
189.05452	5.4
189.06984	1.1
189.09099	2.8
190.06281	1.2
190.07852	1.0
191.08517	3.0
203.07062	24.9
203.10701	1.6
205.06531	3.5
205.08652	4.5
207.07997	1.4
215.07013	7.0
218.07280	3.2
219.08081	10.0
221.05959	1.5
222.06645	1.6
223.07599	1.4
224.08470	1.1
233.08029	11.0
234.04156	0.8
234.06772	4.0
235.07535	3.8
236.08307	3.0
237.09088	3.9
239.10812	1.0
246.06705	1.8
247.07530	9.1
249.09123	3.7
250.06104	1.2
251.07069	1.3
251.10684	3.7
253.08649	1.8
261.09048	5.7
262.06503	1.1
263.07022	3.5
264.07785	4.5
265.08569	5.1
266.09348	1.3
267.06482	1.3
267.09799	3.0
269.08173	2.0
275.07010	2.1
276.13873	2.0
276.63919	1.2
277.08582	11.4
278.09277	2.2
279.10178	15.7
280.10730	2.0
281.08115	1.2
282.08911	2.6
283.09677	1.2
284.10480	3.5
285.10062	2.3
289.08582	3.2
290.09320	0.9
292.07300	1.4
293.11713	1.4
294.08771	1.7
295.09552	2.8
296.10309	2.3
297.11182	25.8
297.14337	1.9
298.11938	1.5
304.80844	0.9
306.08868	2.0
307.09647	11.4
308.10434	1.5
309.11154	8.2
310.12225	1.2
311.12723	10.8
312.09869	2.7
321.11148	10.8
324.09790	1.5
327.12241	10.3
329.13538	1.1
333.19199	1.0
339.12262	27.1
339.18915	1.2
357.12973	6.4
357.20352	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1331
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
55.01876	2.1
55.05502	1.4
56.96563	1.5
57.00649	0.8
57.03448	1.2
61.02920	1.9
64.57584	0.9
65.03934	2.4
67.05492	3.8
69.03447	1.3
69.07056	1.3
69.58379	4.9
71.04980	0.8
76.05849	0.8
77.96414	0.9
79.05491	3.6
81.03428	5.2
81.07038	5.2
85.02897	2.7
91.03918	1.2
91.05498	5.1
93.07036	2.7
94.04190	2.5
95.04958	2.4
95.08615	2.9
97.02869	1.5
97.06530	4.3
97.10184	1.3
98.21508	1.0
98.97606	1.4
103.05441	2.4
105.07001	2.1
107.04958	2.9
107.08593	2.6
109.06521	3.9
109.10148	1.7
109.53776	0.8
111.04427	1.5
111.08077	1.5
113.91611	0.9
115.05447	3.5
117.07030	4.9
119.08569	1.8
121.06484	2.3
121.10140	1.5
121.86362	0.8
122.03638	7.1
123.04427	1.9
123.08056	0.8
124.79598	0.8
125.05977	2.0
127.03925	1.1
128.06203	1.2
129.06989	3.2
131.04926	3.7
131.08543	2.0
133.03448	1.0
133.10155	2.0
134.13016	0.9
135.04375	1.0
137.05978	100.0
143.04912	3.3
144.05704	1.2
145.06480	8.3
145.10089	1.5
146.03624	2.1
147.08043	1.5
147.11693	1.1
149.05971	3.6
149.09648	1.4
151.03909	43.0
151.05023	3.8
151.07538	2.0
153.05441	2.0
155.04915	1.6
157.06508	3.5
157.10104	1.1
159.07971	1.1
160.05197	6.7
161.05977	3.7
161.13335	0.9
163.07547	1.5
165.05496	10.4
165.06738	1.3
167.07018	1.3
172.05145	1.8
173.06049	1.5
174.06757	2.7
175.07565	14.5
177.05473	2.8
177.09105	3.4
181.08591	1.2
187.07571	8.4
188.04753	1.3
189.05524	5.0
189.06970	1.4
189.09138	3.3
190.06239	1.6
190.07832	1.2
191.08560	4.0
194.07343	1.3
195.08142	1.2
203.07043	27.6
205.06514	2.6
205.08592	4.7
205.10312	1.3
206.07297	1.3
207.08084	2.4
208.08905	1.9
215.07024	5.9
218.07289	2.7
219.08061	8.2
221.06015	2.5
221.08046	1.9
222.06819	1.8
224.08148	1.3
233.05873	1.8
233.08015	12.7
234.06786	2.0
235.07585	3.3
236.08437	1.7
237.09116	3.1
239.07167	1.3
246.06772	1.4
247.07590	8.3
248.08249	1.2
249.05577	1.1
249.09119	4.0
250.06223	1.7
251.07022	2.6
251.10703	3.8
253.08562	1.1
254.09364	1.3
261.09055	5.6
262.06241	2.1
263.07059	2.4
264.07782	4.2
265.08563	5.8
266.09332	1.7
267.06561	1.7
267.09952	3.0
269.08163	1.4
275.07001	1.3
276.13876	2.7
277.08566	14.6
278.09457	1.9
279.10147	15.7
281.08154	1.7
282.08878	3.0
283.09787	1.9
284.10452	4.0
285.10098	2.1
289.08588	3.9
289.18188	1.1
292.07465	1.2
293.08130	0.9
293.11871	1.3
294.08844	1.9
295.09653	3.3
296.10312	2.1
297.07761	1.5
297.11200	27.5
298.11874	2.0
304.76208	0.9
306.08752	2.3
307.09586	13.6
309.11188	9.0
311.12772	10.8
312.09857	2.5
321.11255	9.1
327.12274	10.1
329.13776	2.1
330.52646	0.9
339.12219	26.6
357.13055	6.2
357.16791	1.2
357.20468	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.3521
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
53.03920	0.3
55.05515	8.3
57.07078	1.5
58.06584	0.6
62.06084	0.3
66.20174	0.2
67.05494	0.6
69.07071	6.7
69.55318	0.4
69.55732	1.0
70.06595	11.6
71.08624	0.8
74.06101	0.3
79.05456	0.3
81.07054	0.7
83.08620	4.1
85.10188	0.3
88.07634	14.6
92.05801	0.2
93.07024	0.3
95.08613	0.5
97.10168	1.5
101.72862	0.2
102.09184	4.1
106.08671	8.4
111.11657	0.3
118.08650	0.2
150.13522	0.2
217.31952	0.2
262.22565	0.3
264.23218	0.3
294.31506	0.3
312.32614	0.6
338.34161	5.8
356.35229	100.0
357.35513	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04895	3.0
55.01876	6.6
55.05510	25.4
57.03438	4.0
59.04979	4.1
67.05509	46.6
69.06779	2.7
69.07071	29.3
69.48866	6.3
69.49279	19.7
71.04996	49.6
78.88197	3.1
79.05497	37.9
81.03426	7.0
81.07059	100.0
83.04971	10.1
83.08618	22.5
85.06554	5.7
91.05478	31.1
92.25104	3.1
93.07049	35.4
95.04967	11.5
95.08610	37.8
97.06530	13.6
97.10196	4.7
99.08109	5.2
105.07043	35.6
107.04936	9.7
107.08595	20.8
109.06525	27.6
109.10181	15.3
111.08089	8.7
113.09615	6.0
117.07017	11.7
119.08599	27.2
121.06513	7.6
121.10124	20.2
123.08085	9.5
123.11679	4.6
125.09608	4.3
129.07019	3.5
131.08583	16.7
133.10155	23.3
135.08026	5.9
135.11700	16.8
137.09680	7.4
145.10135	14.8
147.11674	20.1
149.09639	16.5
149.13272	10.4
151.11214	3.9
157.10179	5.7
159.11708	12.1
161.13347	3.4
163.11151	16.0
165.12813	7.7
173.13200	5.0
175.11208	4.4
175.14772	3.4
177.12750	11.3
221.14909	2.9
228.36594	3.0
237.27769	3.2
239.17996	5.3
241.17990	10.0
247.20509	4.4
257.18976	10.5
275.20087	94.2
289.21664	8.6
307.22687	80.5
356.35190	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	356.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.3
55.01871	4.3
55.05248	3.1
55.05507	18.4
57.07067	8.5
59.04988	2.1
67.05180	2.5
67.05508	37.9
69.03429	2.3
69.07073	19.4
69.30431	10.3
69.30853	7.8
70.06590	12.2
71.04996	72.9
71.56879	1.9
73.06548	6.9
77.63596	1.9
79.05493	29.0
81.03416	3.6
81.07059	62.0
82.55669	1.9
83.04990	4.0
83.08610	7.1
83.49427	1.8
85.06530	6.3
88.07629	14.7
91.05477	34.4
93.07042	57.1
95.04969	11.7
95.08619	23.7
97.06548	9.4
97.10184	5.3
98.09700	2.0
99.08112	4.5
100.07652	2.0
101.61273	1.8
102.09180	3.3
105.07034	27.6
106.08662	7.1
107.04941	3.8
107.08594	17.4
108.08965	2.3
109.06532	4.7
109.10136	5.9
111.08099	3.5
113.09639	8.4
117.07024	12.8
119.08587	30.3
120.08930	5.2
121.06526	19.4
121.10155	20.9
122.06841	8.7
123.08047	6.1
123.11724	3.3
129.07013	3.5
131.08566	17.3
133.10136	26.7
133.15782	1.9
135.04445	2.1
135.08026	8.7
135.11707	17.1
137.05980	3.0
137.09612	12.2
138.09969	5.5
140.21326	2.0
143.08580	2.7
145.10130	13.8
147.07867	2.1
147.11684	6.8
149.09621	6.0
149.13246	13.6
151.11197	3.9
157.10117	4.4
159.11703	22.7
161.13275	3.6
163.11198	10.1
165.09181	1.9
173.13216	3.4
175.07523	14.8
175.14731	2.4
176.07884	11.0
177.12755	73.4
178.09386	2.3
178.13084	50.2
179.10683	2.0
183.19664	2.0
184.01695	2.0
191.10675	54.0
192.11008	56.1
196.98851	1.9
209.15297	9.9
213.16443	2.2
217.15973	2.3
227.16441	4.1
229.19485	2.5
241.17990	16.1
246.09833	2.3
247.20657	2.1
249.18474	2.4
257.18991	4.4
275.20004	14.9
289.21570	6.0
299.16525	5.4
300.16766	15.5
306.12207	2.5
307.22519	2.4
321.24280	2.2
338.34195	6.8
356.15689	3.9
356.23151	19.4
356.35229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63072	1.4
53.03935	2.5
55.01862	3.8
55.05515	14.1
55.30832	1.4
56.96298	2.4
56.96566	30.8
57.03429	4.9
65.03951	2.6
66.85548	1.6
67.05502	26.3
69.03424	1.9
69.07066	19.4
69.90002	7.3
71.95254	4.6
72.04491	1.6
72.96014	2.0
74.09680	1.6
74.97581	1.8
79.05491	17.5
81.03419	2.7
81.07060	36.9
83.04968	6.7
83.08620	8.4
84.96027	4.0
85.06532	2.2
91.05476	15.3
93.07047	19.1
95.04984	10.2
95.08612	32.2
97.06522	14.1
97.10162	6.2
97.96804	3.2
98.09710	1.7
98.97630	2.2
99.16966	1.8
100.99127	1.8
105.07024	12.3
107.04979	2.4
107.08603	13.1
109.06521	5.5
109.10160	13.1
110.97578	17.1
111.08074	4.2
115.97855	2.2
117.07008	3.3
119.08574	13.3
121.06487	3.9
121.10166	8.3
123.08056	6.2
124.99038	1.8
125.05988	1.9
125.09631	4.4
128.98602	19.5
129.07027	2.5
131.08569	9.2
133.10132	13.9
135.08046	5.8
135.11693	3.9
137.02760	2.3
137.05965	3.5
137.09616	3.1
143.08615	2.1
145.10133	5.5
146.99660	7.5
147.11697	5.1
149.02815	1.7
149.05902	2.2
149.09599	2.8
151.07463	3.0
151.11197	7.2
152.00165	2.5
157.10172	2.0
159.11700	4.4
161.01216	2.5
161.13222	1.9
163.14828	1.8
169.10112	2.4
170.01161	1.9
173.13242	4.8
175.14864	2.0
185.04814	2.4
187.14880	3.2
189.09189	2.7
203.05948	2.0
203.12697	2.6
209.15405	8.0
217.12141	2.7
221.15495	1.7
223.16898	6.8
227.16188	1.8
241.11050	3.3
249.14928	1.6
263.20181	1.7
271.17026	3.0
275.23871	1.9
285.11316	2.5
289.17984	11.9
303.12662	4.2
303.19876	2.9
303.23087	14.0
306.12094	3.1
315.16290	58.5
321.20566	6.2
321.24261	3.9
331.16031	2.9
333.17346	100.0
334.17715	4.7
351.18512	20.5
356.19080	33.3
356.34485	2.9
357.19943	2.6
374.20074	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	356.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
54.54377	1.3
55.01858	3.6
55.05513	17.0
55.66622	1.3
56.96303	2.2
56.96564	32.3
57.03432	6.8
67.05502	30.3
69.03426	2.6
69.07068	16.5
70.38141	4.3
71.04977	4.2
71.95256	6.0
74.97592	1.5
79.05491	21.0
81.03415	4.4
81.06592	2.3
81.07057	39.1
83.04976	10.9
83.08613	8.6
84.96033	3.6
85.06525	2.4
86.09683	2.1
91.05482	18.2
91.91244	1.2
92.05739	1.5
93.07046	20.1
95.04960	9.7
95.08609	26.8
97.06527	14.2
97.10147	4.7
97.96823	2.1
98.09693	1.9
98.97610	2.4
99.32487	1.2
104.38302	1.3
105.00195	1.9
105.03416	1.6
105.07036	18.3
107.04953	1.8
107.08588	14.5
109.06522	6.4
109.10152	18.0
110.97567	12.7
111.08073	5.6
111.11681	1.5
113.05974	1.6
113.10568	1.2
117.06998	4.5
119.08574	13.3
121.06477	3.7
121.10127	9.7
123.08055	5.9
123.11690	2.6
125.09590	4.2
128.98605	15.6
131.08574	8.0
133.10127	17.1
135.08057	3.9
135.11676	4.9
137.02745	2.5
137.05966	3.7
137.09599	6.0
143.00177	1.6
143.08598	2.9
145.10129	6.5
146.99673	7.3
147.08028	2.7
147.11673	6.0
149.09607	3.7
151.07516	3.2
151.11197	8.3
152.00175	1.3
153.09047	1.7
161.01111	3.0
161.09584	1.7
161.13292	4.1
163.11166	2.8
163.14786	1.7
165.09137	1.6
169.10144	1.5
171.03325	3.6
171.11615	2.3
173.09552	1.4
173.13278	4.2
175.14793	2.3
177.09103	3.0
177.12651	2.0
179.10661	1.3
185.04834	2.4
187.14861	2.5
189.04379	1.7
191.14323	2.0
203.05917	1.9
203.12689	2.2
209.15376	8.8
221.15437	2.1
223.02440	1.4
223.16930	4.8
233.15334	3.3
241.11053	3.3
263.09555	2.7
265.18015	1.6
285.10840	1.5
285.22067	1.8
286.11276	1.9
289.17935	9.6
303.12665	2.0
303.23102	15.7
306.12091	3.6
313.14984	1.8
315.16287	67.3
321.20593	5.7
321.24225	2.9
324.13138	1.6
331.15771	3.9
333.17340	100.0
334.17651	2.7
338.14697	1.8
351.18393	18.9
356.19022	29.7
356.34549	2.1
357.19397	2.5
374.20010	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
54.64690	1.2
55.01870	3.5
55.05516	17.5
56.96564	11.4
57.03434	3.7
57.07077	1.8
59.04988	1.4
62.06091	100.0
67.05503	20.0
69.03430	1.8
69.07070	10.1
71.04984	2.8
71.08636	5.5
79.05498	16.3
81.03425	6.0
81.07061	21.9
83.04970	3.9
83.08631	9.5
85.06531	1.9
85.10177	2.0
91.05491	14.1
92.05829	1.3
93.07046	16.8
95.04973	5.3
95.08612	16.0
97.06535	4.5
97.10169	3.8
98.06076	1.7
99.08086	3.4
105.07038	12.8
107.04939	1.5
107.08608	10.7
109.06515	2.3
109.10172	8.1
111.08091	1.4
113.09650	2.9
116.98645	1.2
117.07025	2.9
119.08566	10.6
121.06536	2.3
121.10130	7.9
123.08094	1.1
124.11182	1.4
125.09622	3.6
127.51551	1.1
129.07002	2.3
131.08548	5.9
133.10118	7.3
135.08038	3.1
135.11670	2.1
135.40927	1.0
137.05988	1.8
137.09615	1.8
138.12779	1.4
139.11221	1.6
141.12750	2.8
143.08492	2.0
145.10124	4.8
147.11708	4.8
149.09627	2.7
150.67612	1.2
151.07564	3.1
151.11229	1.6
157.10129	3.3
159.11694	2.3
161.09561	1.3
163.03903	1.9
163.11211	2.9
165.12782	2.9
171.11705	3.0
173.11725	1.4
173.13206	1.3
175.14790	2.2
196.13351	2.2
200.16534	3.9
203.12756	1.7
208.17027	1.5
210.14850	6.1
214.14465	2.8
225.12479	1.4
226.18008	9.3
228.15897	7.6
229.07483	2.2
241.19528	2.0
246.17015	3.6
251.09605	1.3
254.17491	2.0
259.20624	2.8
262.94708	1.2
267.14200	1.5
268.14133	3.7
277.21738	4.4
289.17883	5.6
295.22736	2.2
306.17343	1.5
320.25824	18.7
331.15924	3.4
333.19083	2.9
335.20865	1.3
338.14600	1.7
338.26932	29.0
349.17007	1.2
356.15408	2.8
356.28064	10.6
367.17975	3.6
373.16977	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10347	11.3
55.01864	21.0
55.05500	46.4
56.96561	21.0
57.03429	28.4
62.06078	31.2
67.05499	44.7
69.03413	11.6
69.07062	18.8
71.28513	18.3
77.00922	13.2
79.05496	47.7
81.03416	36.7
81.07053	65.2
83.04968	40.1
83.08617	32.9
85.02894	11.8
88.55567	9.1
90.21262	9.9
91.05464	29.5
93.07046	57.2
95.04951	35.5
95.08605	48.5
97.06541	36.3
97.10161	28.7
98.97596	12.6
105.07029	44.1
107.08578	34.7
109.06455	19.2
109.10156	24.9
111.04436	29.9
111.08077	12.7
113.57847	11.9
117.07019	15.3
119.08565	42.1
120.99939	12.0
121.06476	27.3
121.10114	21.5
123.08070	14.1
125.09615	28.6
131.08583	23.5
135.08028	21.1
135.11696	16.0
137.05943	17.6
138.46988	11.4
145.10103	33.6
147.11671	13.5
149.09567	12.1
151.07628	12.3
153.12733	16.8
159.08104	19.2
163.11160	58.2
167.70251	10.1
169.09949	11.3
173.09589	24.5
181.12245	17.9
185.13318	11.8
191.10701	44.3
203.12831	16.3
209.11769	34.0
227.12700	59.3
241.14392	35.6
285.10461	13.8
289.17935	27.6
306.11734	15.1
307.19113	20.3
315.18008	24.0
320.25763	31.3
321.20563	36.4
333.19415	100.0
338.14795	18.8
338.26776	15.4
356.18958	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.5
55.01875	22.6
55.05510	46.1
56.96559	11.3
57.03438	26.1
59.05006	3.8
63.60760	3.8
67.05508	53.8
69.03416	7.1
69.07076	19.4
69.28892	16.1
69.29317	19.7
71.04974	9.9
71.08635	4.7
79.05500	37.5
81.03423	22.3
81.07069	54.3
83.01341	13.6
83.04980	35.5
83.08633	40.4
85.02904	11.8
85.06532	6.9
91.05494	27.3
93.07052	55.5
95.04994	25.0
95.08601	20.7
97.02887	5.3
97.06525	18.7
97.10169	22.0
99.04449	5.5
99.08102	7.6
105.07032	17.4
107.04977	19.6
107.08598	34.5
109.06514	16.6
109.10165	21.8
111.04436	48.4
111.08075	17.3
117.06992	12.9
119.08598	34.9
121.06499	8.1
121.10165	19.1
123.08027	7.8
123.11733	4.9
125.06003	4.7
125.09623	17.9
128.68719	4.3
131.08565	18.4
133.06447	5.8
133.10118	8.0
135.08046	18.1
135.11708	26.3
137.05988	8.0
137.09576	8.3
143.08554	5.2
145.10123	35.8
147.08012	8.2
147.11717	12.0
149.09605	9.0
149.13226	6.5
151.11212	5.9
153.09084	4.4
153.12718	25.8
154.11328	4.1
159.07991	8.6
163.07617	4.4
163.11197	62.2
173.09636	25.7
173.11743	4.0
177.09100	4.8
181.12224	31.9
181.70415	4.5
185.09612	4.7
186.72342	4.0
191.10689	49.9
195.13881	4.7
203.08662	4.9
203.12762	16.1
207.10866	4.9
208.93314	5.0
209.11711	67.5
223.13283	31.8
227.12782	100.0
229.07497	9.9
229.48256	4.0
241.14388	74.5
245.12334	6.4
261.18427	4.4
263.16370	4.9
267.09061	4.2
271.16840	10.7
281.12827	3.6
289.17978	46.1
303.19626	7.8
306.12231	8.5
307.19031	22.8
315.18222	5.8
321.20648	58.4
328.75696	4.7
333.19022	17.5
356.15295	5.9
367.17792	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	356.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	9.7
55.05495	21.2
56.96554	12.2
57.03422	17.0
67.05176	6.3
67.05506	75.0
69.03416	8.2
69.07055	19.6
79.05499	38.1
81.03404	15.3
81.07047	68.4
83.04985	65.5
83.08579	4.8
85.06541	14.4
91.05470	62.6
93.07046	52.3
95.04981	26.4
95.08599	25.0
97.06525	66.7
98.21577	8.6
105.07021	56.9
107.04910	6.3
107.08575	56.2
109.06494	21.0
109.10134	46.2
110.97556	12.9
111.04403	5.8
111.08037	17.3
113.06039	5.2
115.97736	5.4
117.07021	11.7
119.08626	11.0
121.10120	12.8
123.08009	11.4
123.11698	14.4
129.14195	4.8
131.08528	14.6
133.06480	9.9
133.10117	100.0
135.08029	11.1
137.05937	8.9
145.10159	4.9
149.09579	10.6
151.07652	5.6
151.11185	73.8
157.10077	8.5
161.09628	7.6
163.11153	8.6
173.09523	5.8
175.11189	5.4
177.09059	7.4
183.13835	11.8
193.12245	9.6
201.50684	6.1
253.15825	5.1
261.18347	8.9
289.17975	42.5
307.19003	9.9
315.16006	27.8
321.20715	15.7
331.15329	4.8
333.17178	33.7
351.18558	7.4
356.18713	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	356.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	7.1
55.01868	18.3
55.05507	100.0
57.03433	46.8
57.07071	10.4
58.45091	6.5
59.18746	8.4
65.03934	13.9
67.05502	76.5
69.03424	15.5
69.07075	57.5
70.68360	16.0
70.68731	17.1
71.04992	20.6
72.49229	7.3
79.05502	63.8
81.03411	32.5
81.07053	62.2
83.04981	19.2
83.08619	44.6
85.06573	18.2
85.08308	7.4
88.97683	8.1
91.05482	59.0
91.94906	7.1
93.07053	51.5
95.01322	22.9
95.04966	62.2
95.08591	15.2
97.06556	41.7
97.10171	57.0
105.07023	33.9
107.04950	30.1
107.08601	70.3
109.02901	13.8
109.06515	37.8
109.10175	12.2
113.06009	48.5
115.07566	10.4
117.06995	18.3
119.08576	33.4
121.02861	58.5
121.06487	42.4
121.10117	16.9
123.04436	14.8
125.09641	95.7
131.08589	22.0
133.10104	14.5
135.08080	34.7
137.09637	12.3
145.10136	15.0
147.08023	16.9
147.11662	41.0
151.07579	11.3
153.09059	16.6
157.10165	10.7
159.08058	84.7
163.07629	15.0
163.11192	12.6
173.09703	11.9
175.11285	14.9
185.09587	9.9
187.08171	9.1
193.12302	41.7
203.10939	14.8
203.12743	75.3
211.13499	9.8
217.14291	19.7
219.13893	18.0
221.11723	72.8
225.50626	7.3
233.15428	12.0
237.14934	12.4
239.12793	19.0
247.13219	39.9
251.16432	18.4
253.15961	17.9
271.16940	32.0
289.18002	67.0
303.23102	17.1
307.18985	10.4
321.20538	16.7
375.50647	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	356.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01860	3.7
56.69199	1.2
57.03419	3.1
61.02925	7.2
67.05514	1.5
68.99777	1.8
69.03085	2.1
69.03433	30.0
69.07042	1.2
70.02986	2.6
70.03387	3.8
70.06594	2.5
71.04996	3.0
72.66475	1.0
73.02917	6.1
73.06558	16.6
79.05480	2.8
81.03426	18.8
81.07051	1.7
84.08151	1.2
85.02907	100.0
87.00831	49.1
87.04454	1.4
97.02294	1.9
97.02895	29.9
97.06530	23.1
98.97576	2.9
99.04457	11.3
105.01871	81.2
108.04404	1.4
109.02887	26.1
117.01814	1.5
127.03922	65.7
129.01842	1.7
131.55803	1.1
137.06010	2.9
145.04959	29.6
147.02931	2.2
158.99721	1.5
159.02924	10.7
159.10158	1.4
176.07056	1.4
181.06189	1.5
194.05360	1.7
194.08067	3.2
213.04004	4.7
229.98677	1.3
231.05009	21.7
237.02829	1.4
249.06114	10.2
306.12094	1.8
356.13419	5.0
357.15115	3.2
369.61081	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01868	3.3
55.05267	2.2
55.05514	31.3
56.96581	13.5
57.03443	8.9
57.07081	12.0
64.00861	2.1
65.54115	1.8
67.05508	84.0
69.06738	2.8
69.07074	44.6
70.06580	2.1
71.04989	4.3
71.08623	7.5
71.95237	2.3
79.05498	28.7
81.03462	1.9
81.07059	100.0
83.04970	3.0
83.08151	2.7
83.08625	39.3
85.06551	5.0
85.10181	2.8
91.05483	22.8
93.07048	33.3
95.04957	5.1
95.08616	83.6
97.06532	15.6
97.10175	22.7
98.21514	5.4
99.08086	4.0
105.07035	15.9
107.08584	23.1
109.06530	3.2
109.09461	3.6
109.10165	48.3
110.97568	6.5
111.08133	4.6
111.11710	5.9
117.07001	3.1
119.08598	17.8
121.06496	3.6
121.10164	26.5
123.08048	2.5
123.11718	23.8
125.09628	5.6
128.98634	5.7
129.05423	2.0
129.07014	6.1
133.10139	18.3
134.87068	2.1
135.11687	17.2
137.05949	8.6
137.09612	2.8
137.13255	8.6
139.11111	2.6
141.12746	2.0
143.08565	4.5
145.06448	2.1
146.07288	6.5
146.99568	2.7
147.11729	16.2
149.05994	4.4
149.13248	17.3
151.07523	6.2
151.11250	3.0
151.14836	6.3
153.12724	2.2
155.08495	2.5
155.14348	2.9
157.10213	3.5
161.09789	1.9
161.13283	17.7
163.14867	16.0
165.16422	6.6
171.11691	3.7
173.54790	1.8
175.14792	11.9
177.09138	6.3
177.16386	3.8
179.14326	2.6
179.17976	8.0
185.13266	2.1
189.16376	5.2
193.15872	2.7
199.14838	2.7
201.09132	3.5
228.97246	2.0
241.08542	3.2
245.22662	51.7
262.09912	2.8
263.23724	65.0
284.10480	3.5
285.11069	3.3
291.10172	3.2
299.20102	2.4
305.11697	8.7
306.12494	2.8
315.16330	21.4
323.12936	4.4
333.17374	31.9
337.14215	5.4
337.27484	38.9
351.18427	8.2
355.15814	16.6
355.25992	10.0
355.33752	17.0
356.19003	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	355.284
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
54.58886	2.8
55.01875	3.8
55.05513	30.7
57.03428	5.9
57.07061	12.9
57.08847	3.0
63.87039	3.2
67.05505	73.5
67.29076	2.8
69.07069	35.3
69.85944	12.9
71.04974	8.5
71.08633	6.7
74.27709	2.9
78.06200	3.1
79.05502	25.3
81.07060	92.8
83.08615	23.8
85.06544	3.4
91.05465	27.0
93.07039	35.5
95.08608	75.8
97.06509	7.6
97.10159	11.5
105.07053	16.7
107.08580	23.8
109.06546	3.6
109.10156	40.7
111.08087	4.1
111.11671	3.3
117.06998	5.2
119.08569	19.7
121.06550	5.1
121.10164	22.8
123.11710	19.2
124.36299	3.1
129.05455	4.8
129.07001	11.1
129.07893	2.8
131.08582	8.5
133.10120	17.1
135.11694	11.8
137.05978	11.9
137.13278	6.2
137.80800	2.9
141.07001	4.0
143.08540	9.5
145.10110	5.5
147.11682	14.2
149.05916	3.8
149.13243	14.0
151.07524	4.7
151.14792	5.5
157.10069	6.2
159.11804	3.9
161.13235	9.8
163.14825	12.4
165.16383	3.2
171.11749	3.7
175.11325	4.0
175.14819	10.0
177.09073	6.6
179.17834	4.6
187.18710	2.8
189.16313	6.0
199.14861	3.3
241.08572	3.4
245.22638	31.1
258.43277	3.2
263.23676	42.0
284.10474	4.5
285.11554	3.1
305.11722	12.0
327.27051	3.3
337.14334	5.6
337.27646	24.8
355.15494	8.2
355.28528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.7
55.01875	8.2
55.05513	31.5
57.03428	6.7
57.07076	7.7
59.04982	3.1
65.03927	4.6
67.05508	95.7
69.03416	9.6
69.07065	31.7
69.28487	2.7
70.72853	7.1
71.04996	32.5
71.08614	5.4
75.76691	2.9
79.05491	53.4
81.07056	83.9
83.01325	8.7
83.04989	8.2
83.08604	20.8
85.06561	9.1
85.10172	3.3
91.05476	57.7
93.07041	72.7
95.04977	9.7
95.08610	100.0
96.76853	3.0
97.06510	15.1
97.10181	14.0
99.08060	4.1
105.07035	27.3
107.04967	5.1
107.08578	26.5
108.39844	2.9
109.06506	6.9
109.10158	70.9
111.04454	4.3
111.08083	28.9
111.11713	6.5
117.07033	9.1
119.08580	50.1
121.06502	11.3
121.10138	21.8
123.11728	16.4
125.05962	3.1
125.09655	4.7
129.07014	5.8
131.08569	10.4
133.10129	52.5
135.08063	5.3
135.11739	13.8
137.05978	19.5
137.09621	78.5
137.13216	4.7
139.07527	44.9
139.11176	4.8
143.08571	9.6
145.06442	4.9
145.10130	5.1
146.07265	6.3
147.11700	9.7
149.05983	9.1
149.09669	4.4
149.13246	8.4
151.07573	9.3
151.11192	19.5
151.14783	3.2
155.10661	5.1
157.10147	4.8
161.09584	13.0
161.13258	7.4
163.11119	3.4
163.14815	10.2
165.09180	4.3
165.16408	4.5
169.12245	29.1
171.11676	6.9
175.07608	3.2
175.14795	6.1
177.05469	6.4
177.09091	12.6
179.06978	3.3
179.10667	20.6
179.18007	5.2
181.12181	3.2
183.13802	4.4
187.07489	3.0
187.13362	5.3
189.12811	4.0
189.16283	3.5
201.09084	4.0
201.14857	47.0
211.13306	6.2
217.19569	3.4
229.14191	3.3
235.13316	3.6
241.08653	3.8
245.18982	5.8
245.22670	27.4
261.38116	3.0
262.09747	5.3
263.20056	8.3
263.23694	32.5
269.08020	3.1
270.08920	3.5
273.18521	14.4
284.10468	7.5
285.11084	4.5
291.10306	4.0
291.19547	34.0
295.13284	3.4
305.11646	15.6
305.21100	11.3
306.12671	4.2
323.12790	4.6
323.22137	35.4
337.14322	11.7
337.27615	20.5
355.15402	12.8
355.26248	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	355.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.1
55.01863	10.7
55.05304	3.1
55.05518	32.2
56.61489	2.8
57.03428	7.0
57.07070	9.6
59.05006	3.5
65.03942	4.4
67.05508	77.0
69.03421	11.1
69.07072	28.9
70.44619	3.4
71.04990	35.3
71.08634	25.0
71.26380	4.6
71.26714	4.7
73.06526	2.8
76.72906	3.1
79.05501	51.5
81.03420	7.3
81.07066	62.5
83.01347	14.5
83.04980	11.7
83.08607	24.5
85.06548	12.3
91.05483	68.6
93.06481	5.2
93.07050	68.2
95.04970	14.5
95.08616	80.2
97.06531	12.6
97.10181	12.9
99.08102	15.7
103.05438	3.3
105.07037	31.9
107.04956	8.7
107.08602	23.6
109.06516	9.9
109.10172	67.8
111.04478	3.9
111.08085	39.9
111.11739	4.0
117.07050	14.8
119.08583	58.0
121.06508	24.3
121.10135	17.0
123.08045	4.9
123.11729	7.6
125.05959	3.3
125.13282	3.7
129.07016	8.2
131.08580	10.3
133.06503	4.5
133.10139	61.2
135.08076	8.8
135.11690	12.9
137.05978	37.7
137.09627	100.0
139.07545	56.2
139.11133	4.9
143.08549	7.7
145.06468	6.4
145.10135	12.2
146.07281	11.8
147.08049	8.7
147.11681	9.6
149.05992	15.6
149.09639	8.9
149.13275	4.0
151.07578	21.2
151.11203	20.7
157.10197	7.1
157.16750	3.0
159.08092	3.3
159.11685	8.3
161.09598	19.1
161.13274	4.5
163.11259	3.3
165.05525	4.1
165.09079	4.4
167.10590	3.5
169.12236	38.6
171.11682	8.4
173.13254	3.7
175.01471	4.0
175.07588	5.0
175.11278	3.3
177.05502	8.1
177.09120	30.3
177.12682	4.3
179.06967	3.9
179.10703	28.0
183.13850	9.5
184.07295	4.9
185.13190	3.1
187.07565	3.3
187.13268	10.4
188.08466	3.3
189.12802	5.9
199.11237	4.2
199.14781	3.7
201.09102	7.9
201.14835	55.9
211.13248	7.0
217.12210	5.8
227.17979	4.5
231.07962	7.1
231.10109	6.0
235.13315	4.4
237.16365	3.5
241.08636	8.5
245.09494	3.7
245.18964	8.5
245.22627	8.1
254.09409	7.0
255.17432	5.2
261.09235	3.2
263.10938	3.1
263.20139	4.6
263.23676	4.4
269.07913	6.5
273.18475	26.7
277.21420	3.5
284.10461	18.7
285.11191	11.3
290.09219	3.8
291.10193	7.8
291.19562	52.2
295.13263	8.0
297.11386	3.8
299.25745	9.6
305.11673	33.7
305.21085	9.3
306.12466	10.1
307.09698	3.4
310.11707	4.5
322.11951	4.8
323.12875	16.3
323.22134	49.2
325.14359	6.2
337.14380	23.5
347.61218	2.9
355.15384	28.1
355.28851	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	355.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01868	1.0
55.05511	3.1
57.03426	2.5
57.07071	0.7
61.02907	2.8
67.05502	5.1
69.03145	0.6
69.03430	7.2
69.07063	6.1
70.06576	0.8
70.73219	1.8
71.01388	0.7
71.04971	1.1
73.02911	1.3
79.05482	3.6
81.03415	3.1
81.07053	4.4
83.04973	1.2
83.08620	1.7
84.08129	0.8
85.02904	37.3
85.06545	0.8
86.03210	0.7
87.04463	0.7
91.05468	5.6
93.07034	3.4
95.04982	3.2
95.08608	7.5
97.02898	6.5
97.06523	2.5
98.97610	1.7
99.04469	1.5
100.11258	0.9
105.01852	1.0
105.07030	8.2
107.04946	2.2
107.08581	3.9
109.02867	3.7
109.06496	1.0
109.10146	9.6
110.68498	0.6
111.04414	0.7
115.05444	1.0
115.68832	0.5
116.98636	0.7
117.07008	1.2
119.04894	0.9
119.08581	32.5
121.06506	1.6
121.10130	3.1
122.03625	0.9
123.04478	0.7
123.11694	1.0
127.03914	5.9
128.04230	0.9
129.06958	0.9
131.08562	2.6
133.10132	32.2
134.10866	1.2
135.11722	3.8
136.07544	0.6
137.05984	10.5
137.09612	3.7
143.08585	1.1
145.04997	4.2
145.06056	0.6
145.10161	3.9
146.07294	0.6
147.04373	0.6
147.11685	8.1
149.01215	0.9
149.05981	0.7
149.13287	1.6
151.03873	1.0
151.07520	3.2
151.14862	0.8
155.10719	0.7
157.10120	0.7
159.11667	1.0
160.12488	1.2
161.13214	0.8
163.06003	1.5
167.07083	1.5
170.07265	1.2
171.11734	1.0
173.13260	4.5
175.07553	1.2
175.14824	100.0
176.10750	0.7
176.15178	1.2
177.09164	2.1
187.14822	2.1
189.09045	1.0
189.16348	0.7
191.14343	1.2
193.15881	28.7
199.14699	0.9
201.09088	1.6
217.12193	0.6
217.15913	1.2
224.08072	1.5
229.14200	0.9
231.08157	1.0
231.10112	4.1
233.50262	0.6
235.13260	0.7
247.07510	0.7
249.09000	0.9
255.06332	0.6
258.09381	1.6
259.17123	0.7
263.07153	0.6
263.12930	0.9
265.08539	1.2
274.10648	0.7
277.08527	1.2
281.09335	0.8
284.10410	1.1
291.10135	1.3
296.10464	1.9
301.17917	2.0
305.11691	2.1
313.10690	1.5
319.18945	2.6
323.12808	2.5
337.10776	1.0
337.14291	1.4
337.20090	2.6
355.08188	1.4
355.11884	0.8
355.16711	4.4
355.21255	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	355.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01860	2.1
55.05508	2.4
56.96567	1.8
57.03431	4.5
57.07078	2.0
61.02917	3.2
67.05508	7.8
69.03425	10.6
69.07072	9.0
69.48825	0.9
70.06585	1.5
71.04984	1.5
71.15833	0.9
73.02927	1.3
73.36117	1.1
79.05489	3.0
81.03431	4.9
81.07053	8.0
82.06531	1.3
83.04984	1.6
83.08618	2.4
84.08123	1.6
85.02904	46.5
85.06536	2.3
91.05463	6.6
93.07043	5.5
95.04977	4.5
95.08607	13.3
97.02879	8.6
97.06537	2.6
98.97562	1.5
99.04453	2.8
103.03932	1.2
103.05502	1.1
105.01883	1.8
105.07050	10.0
107.08622	6.0
109.02879	5.7
109.10157	14.5
111.04424	1.7
115.02786	1.0
115.05462	1.1
117.07030	1.2
119.04927	1.1
119.08584	34.9
121.06525	3.5
121.10136	4.8
122.03731	1.4
123.08129	1.1
123.11718	1.7
127.03934	9.9
128.04259	1.3
129.07047	1.5
131.04900	1.4
131.08556	2.1
133.06474	1.0
133.10121	28.8
133.11086	1.6
134.10924	1.4
135.08025	1.1
135.11746	5.0
137.05977	10.8
137.09659	4.3
139.11200	3.7
145.04974	5.0
145.06458	1.2
145.10133	4.0
146.07324	1.2
147.04453	1.5
147.11684	8.2
149.01202	1.6
149.05959	2.5
149.09634	1.3
149.13269	2.3
151.07526	2.7
151.14783	1.5
153.45538	1.2
155.10718	1.2
157.06541	1.2
157.10056	1.1
158.10963	1.4
159.11710	1.4
160.12471	1.6
163.05995	1.5
172.67517	1.1
173.11874	1.9
173.13184	5.5
175.07585	1.4
175.14827	100.0
177.09160	3.2
185.09398	1.0
187.14815	2.4
191.14267	1.5
193.15892	31.3
201.03793	2.3
203.05417	1.4
217.15822	1.1
224.08084	4.7
229.14259	2.4
235.16904	1.1
254.09508	1.1
279.10504	1.2
279.61111	1.4
284.10492	1.6
285.11462	1.8
291.10104	1.4
301.09561	1.2
301.17978	2.4
303.19092	1.1
305.11658	3.6
306.12393	2.0
313.10760	1.8
319.19138	3.3
323.12927	1.2
337.14154	2.0
337.20181	2.4
337.23907	1.6
355.17297	76.7
355.21054	6.2
356.17581	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.7
56.96570	0.7
57.03423	2.2
61.02902	1.4
67.05508	5.0
68.04965	0.8
69.03423	3.3
69.07056	2.8
70.06611	1.0
70.07366	0.8
71.05006	0.8
73.02940	1.0
79.05483	2.1
81.03408	1.8
81.07051	2.7
83.04963	1.4
85.02907	9.4
85.06509	0.9
91.05473	2.7
93.07029	3.1
95.05006	1.0
95.08591	3.6
97.02893	4.1
97.06522	2.6
97.10176	0.9
98.97604	1.6
103.05483	0.9
105.07042	3.5
107.08591	1.8
109.02871	1.0
109.10152	5.7
111.04478	0.8
119.08566	8.9
121.06491	1.7
121.10129	1.5
126.06622	1.2
127.03889	1.3
131.00188	1.2
131.04881	0.9
133.10138	7.3
135.11734	0.9
137.05981	5.2
137.09662	1.2
145.04933	1.7
145.10152	1.8
146.06030	1.5
147.03130	0.9
147.04382	0.9
147.11639	1.8
149.01198	1.1
149.06015	1.3
151.07567	1.8
158.12532	1.1
161.02913	1.2
173.11758	0.9
173.13185	1.0
175.14816	24.3
177.09131	3.1
179.06989	1.3
187.07524	1.0
187.14833	0.8
189.09106	0.9
193.15906	7.2
201.03703	10.9
201.05513	1.1
203.05313	4.5
224.08064	5.7
224.58237	1.2
229.14290	1.3
241.07480	1.5
271.11612	2.6
277.09146	0.8
277.12256	0.8
284.10464	1.4
285.11224	0.9
291.10281	1.7
305.11621	3.1
337.14206	1.1
355.17255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1729
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
55.05519	1.2
57.03420	0.6
58.42744	0.6
67.05483	1.9
69.03422	1.6
69.11568	0.5
70.06601	1.0
71.56199	0.5
71.56577	0.9
72.15653	0.6
81.03426	1.0
81.07050	0.7
82.06596	0.6
83.08606	0.7
83.48988	0.5
84.08125	2.2
85.02908	1.4
87.29537	0.5
91.05440	1.3
93.07012	1.1
97.06565	1.0
98.97591	0.9
100.11263	0.9
105.01888	0.6
108.89071	0.5
109.02896	0.6
109.10138	1.5
110.64425	0.6
119.04931	0.6
119.08596	0.9
121.06501	0.8
127.03849	0.7
132.37303	0.5
137.06012	2.7
147.04343	0.7
149.05974	0.6
151.07600	0.7
170.09016	0.5
175.11070	0.6
177.09184	0.7
182.15417	0.8
182.77107	0.7
187.07561	0.6
193.08429	0.7
201.03705	12.2
201.05493	2.8
203.05305	6.8
210.14931	1.8
224.08122	0.5
228.16045	0.9
305.08325	0.6
305.11783	2.1
337.10815	0.7
337.14627	1.0
337.21387	0.8
355.17282	100.0
356.17715	1.4
369.35287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1025
Annotation	Scopolin
Peak:m/z	Relative Intensity
53.03934	0.2
56.96561	0.6
59.04977	0.2
61.02919	0.5
62.49306	0.2
65.07391	0.2
69.03429	1.0
69.07051	0.3
70.06592	0.7
70.79637	0.4
70.79974	0.4
72.08156	0.2
73.04764	0.4
79.05505	0.3
81.03403	0.6
81.07045	0.4
84.04496	0.2
84.08163	1.1
85.02905	1.9
86.09695	0.5
91.03941	0.2
91.05449	0.5
94.04204	0.2
97.02896	1.2
97.06554	0.4
98.97598	1.5
99.04440	0.3
101.00863	0.2
105.03374	0.8
105.07034	0.3
107.08665	0.2
109.06469	0.4
110.97562	0.5
116.79327	0.2
116.98608	0.4
117.07076	0.2
117.89603	0.2
119.08571	0.2
120.08058	0.3
121.06525	0.4
121.71222	0.2
122.03652	0.9
122.06010	0.7
123.11681	0.2
127.03919	0.7
129.07040	0.2
133.02855	15.0
134.03664	0.2
135.04466	0.3
137.05981	4.5
145.02905	0.2
145.04945	0.4
147.04440	0.5
147.08118	0.3
149.05984	1.2
150.03111	0.5
150.05504	0.5
151.07526	0.7
158.99696	0.5
161.77322	0.2
163.03905	0.8
165.05463	2.4
165.09039	0.2
168.06473	0.3
174.05461	0.3
175.05838	0.2
175.07426	0.3
177.00706	0.2
177.05432	0.3
177.09055	1.2
178.02612	9.1
186.36877	0.2
193.04968	100.0
194.05296	0.8
201.09340	0.2
203.10533	0.3
219.01743	0.5
221.01355	0.3
237.02792	0.8
262.09970	0.3
284.10492	0.8
285.11316	0.3
305.11697	1.1
307.09531	0.3
323.12836	0.4
337.14331	0.9
338.12186	0.3
355.10077	3.3
355.13901	2.2
365.05261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	16.0
61.02905	2.8
67.05503	4.6
69.03416	9.5
70.53510	5.6
70.53883	5.8
73.04731	4.7
81.07046	4.3
84.96021	7.9
85.02916	15.8
91.05800	8.5
97.02879	7.1
97.06564	3.2
98.97020	4.3
98.97592	56.8
104.34755	2.8
110.06042	17.8
110.97575	22.7
112.99109	3.8
116.98618	18.2
121.06474	4.4
126.05486	5.7
127.03924	3.9
128.98622	21.9
134.99634	5.3
136.07576	44.9
137.05931	14.4
143.00124	5.6
145.04878	2.5
146.07227	4.2
146.99615	9.2
149.06001	3.7
151.07529	10.1
158.99654	8.9
161.01176	6.7
161.02989	4.5
163.03825	5.5
164.07074	100.0
165.05511	3.2
170.99641	5.3
177.00706	6.6
177.05527	4.1
177.09123	11.7
182.08128	81.1
187.04390	3.1
189.00746	4.3
193.04837	9.4
196.85107	2.9
199.02675	3.5
201.00691	4.4
206.05766	5.6
211.02686	5.6
219.01764	56.2
224.44080	2.7
229.03847	6.0
237.02837	71.1
238.03738	4.1
255.03816	3.5
265.12366	2.8
270.08710	3.8
284.10382	6.1
285.00864	9.3
285.11356	4.8
295.13159	3.4
305.11664	14.2
306.12311	5.2
323.12796	4.8
325.06000	8.8
337.14319	9.0
343.06732	3.1
355.06583	31.7
355.15347	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	354.3365
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05265	0.8
55.05510	10.9
56.05026	1.6
57.05803	1.9
57.07078	12.3
58.02951	2.2
58.06600	18.1
60.04533	3.5
65.04639	0.5
67.05504	6.8
68.05041	0.6
69.07068	18.3
70.02953	2.9
70.06590	7.4
70.48399	0.5
71.04980	0.9
71.08635	8.8
72.04511	2.8
73.09552	0.5
74.06065	2.7
79.05479	2.0
81.07055	12.3
82.06577	2.2
83.04965	0.9
83.08614	10.0
84.08150	5.6
85.06553	0.7
85.10173	3.5
86.06063	5.8
86.24541	0.6
87.04444	0.6
87.06841	2.8
88.07652	0.6
93.07045	2.2
94.06561	0.6
95.08607	12.6
96.08115	0.6
97.06542	1.0
97.10168	7.7
98.09695	1.2
99.08112	0.7
100.07621	0.5
105.07047	0.7
107.08589	1.5
108.08112	0.8
109.06560	0.8
109.10154	7.5
111.08041	0.6
111.11720	3.8
112.07613	0.9
112.11189	0.8
121.10159	0.8
122.09600	0.5
123.08062	0.5
123.11700	4.4
125.13258	1.3
126.09144	0.6
137.05933	0.7
137.13269	1.6
149.13249	0.7
151.14865	0.7
171.23160	0.5
177.09047	1.2
183.78252	0.5
203.29706	0.4
244.63982	0.5
256.86987	0.6
268.29965	1.6
274.57938	0.5
274.60956	0.6
294.31577	2.9
305.11758	0.6
306.31552	3.7
307.29996	2.1
308.33090	3.7
318.31757	0.8
324.32565	1.2
326.34131	5.2
336.32617	11.4
337.30975	1.4
354.33661	100.0
355.33945	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09771	1.2
55.05513	13.9
56.05026	6.2
57.07076	7.2
58.02956	7.2
58.06599	13.4
60.04525	2.3
67.05506	25.5
69.06687	1.6
69.07067	32.0
69.65606	7.4
70.06595	69.2
71.04976	2.5
71.08617	5.7
72.08158	2.1
74.06071	1.3
79.05488	8.6
81.07062	34.3
82.06577	7.5
83.04970	1.7
83.08630	11.9
84.04509	11.9
84.08127	6.0
85.10168	2.5
86.06037	2.4
86.09702	2.9
91.01405	1.3
91.05472	4.0
93.07036	11.1
94.06557	4.0
95.04954	2.7
95.07977	2.1
95.08607	38.9
96.08133	2.6
97.06533	2.2
97.10184	6.9
98.06055	1.6
99.44542	1.4
105.07014	2.8
105.65268	1.7
107.08611	7.0
109.10165	10.3
111.11733	2.4
119.08610	2.8
121.10143	5.6
123.08061	4.3
123.11716	1.6
133.10063	2.3
134.27629	1.4
135.08032	1.7
135.11667	3.6
140.14336	5.1
145.10109	2.8
151.14783	2.5
152.14369	5.5
162.12770	4.9
163.11217	2.8
166.15962	1.5
168.17490	84.5
172.02338	1.4
180.13814	16.1
208.16969	2.0
212.16461	100.0
240.19580	7.0
265.25241	1.6
294.28073	1.7
294.31512	2.0
297.27896	2.8
304.26291	1.3
305.11591	2.8
305.25244	1.4
308.33084	1.8
312.29025	1.7
322.27460	2.1
336.29163	2.8
336.32593	4.8
354.29947	68.8
354.33743	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	10.4
56.05029	1.4
57.07068	2.7
58.75798	0.8
59.13175	0.7
60.04530	22.7
60.64207	0.8
67.05506	10.8
69.06738	0.9
69.07077	14.5
69.70653	4.3
71.08602	2.1
79.05489	2.9
81.07061	12.2
83.08628	10.6
85.06564	1.1
88.69167	0.8
89.93346	0.9
91.05464	3.1
93.07041	3.4
95.08620	12.3
97.06560	1.4
97.10180	5.8
101.28974	0.8
103.07567	0.8
105.07013	2.9
107.08575	3.5
109.10166	7.0
111.11721	1.7
112.84740	0.8
119.08591	2.6
121.10162	3.8
122.35121	0.7
123.11694	2.4
128.14346	1.1
133.10141	3.5
135.11726	1.2
137.05978	1.0
137.09631	3.0
142.15916	8.5
147.11694	2.7
149.13280	0.9
151.07497	1.2
151.11133	0.8
154.12257	4.4
161.13290	2.6
163.14867	1.3
175.14827	1.6
182.19102	0.9
186.14906	3.1
211.95721	0.9
245.22607	3.9
262.25333	0.8
263.23779	5.3
280.26407	7.8
305.11475	0.9
312.28943	15.4
322.27414	2.9
354.30038	100.0
355.15393	1.5
355.30579	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.0
59.17545	6.3
63.89438	6.1
64.52024	6.6
67.05496	21.5
69.07080	14.4
71.08623	17.9
79.05476	21.1
81.07052	32.2
91.05482	12.9
93.07043	25.4
95.08600	18.9
99.08089	22.5
101.68851	6.7
107.08577	16.9
109.10218	7.6
121.10141	14.6
131.08577	10.2
135.11702	16.6
137.05980	19.6
151.11197	11.1
161.13243	12.2
179.14355	72.6
229.07579	11.6
263.10989	8.1
277.21609	100.0
305.11588	10.4
309.24289	23.5
337.14285	10.5
354.40762	9.5
355.15088	9.8
355.27921	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	354.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.7
56.96561	0.7
57.07078	5.7
59.05005	36.1
61.02924	0.7
64.64423	0.4
67.05514	2.7
69.99363	1.2
72.22200	0.4
79.05493	1.5
80.05823	0.5
81.07066	2.3
82.07399	0.7
82.56619	0.4
83.08617	1.8
87.04474	11.3
89.06027	3.0
91.05472	0.5
93.07040	1.8
95.08625	2.3
96.08932	0.6
96.43282	0.4
97.02890	0.6
97.06564	1.1
100.11258	1.1
101.09666	3.7
103.07587	100.0
105.07030	0.8
107.07095	1.3
107.08607	0.9
108.08970	0.5
109.10162	0.8
109.56814	0.5
119.07052	4.3
119.08570	0.5
121.10092	0.9
123.11715	0.5
124.11999	0.5
133.10127	0.6
135.11691	0.7
136.12021	0.6
137.05988	0.9
140.53355	0.4
142.12349	0.6
146.10445	0.7
149.13338	0.5
159.11674	0.6
163.13290	3.0
175.13295	6.2
241.07600	0.5
259.08646	0.7
261.22089	0.7
262.22430	2.3
267.09094	0.6
281.10721	0.8
285.10110	0.9
287.08035	1.1
313.09540	0.5
317.17801	0.8
336.25717	0.6
354.17313	0.8
354.27219	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2638
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
53.03940	1.6
55.01875	2.7
55.05514	17.5
56.05025	2.7
56.96553	3.7
57.03415	1.2
57.07080	2.1
60.04528	6.8
61.02916	1.3
65.03928	1.4
67.05505	18.5
68.05016	1.9
69.03426	1.6
69.07078	10.0
70.06589	1.7
71.04976	2.3
71.08635	9.3
71.56863	1.2
73.02927	1.6
74.07601	1.3
79.05495	15.6
80.05015	2.7
81.03413	2.3
81.07065	19.4
82.06570	2.8
83.04968	3.8
83.08620	12.0
85.02933	1.1
85.06577	1.1
91.05486	9.8
93.07046	19.6
94.06556	3.8
94.07404	1.2
95.04971	4.5
95.08607	9.8
96.08129	2.6
97.06552	2.4
97.10174	6.3
99.08101	5.7
100.11259	100.0
105.07035	8.5
106.06612	2.0
107.08613	9.9
107.46329	1.1
108.08172	1.7
109.10157	6.1
111.08086	2.0
117.01658	1.1
117.07004	1.9
119.08591	7.7
121.06548	1.6
121.10152	4.3
123.11774	1.6
124.11288	1.2
125.09655	3.7
126.12793	2.9
131.08496	1.8
133.10156	4.1
135.08041	1.5
135.11684	3.5
137.05925	1.5
137.09613	1.4
138.12796	4.3
140.14352	1.5
142.12283	25.9
145.10101	2.8
145.56667	1.3
147.11726	3.6
147.38411	1.1
149.09668	1.4
149.13260	3.5
150.12801	3.2
151.11186	3.2
152.14337	3.2
153.09111	1.2
154.12280	2.5
157.10075	1.6
159.11629	1.7
161.13304	2.5
163.11230	6.3
164.14360	1.8
165.12836	1.9
171.11700	2.0
172.13307	2.0
173.13290	1.6
177.12743	10.1
179.14348	1.9
180.13838	1.9
189.11192	2.5
194.30717	1.2
198.14977	2.1
224.16260	1.4
241.19562	1.6
258.22147	1.8
259.20566	5.7
267.08896	1.8
269.10663	2.0
274.21649	6.6
276.23227	20.2
277.21609	24.0
285.10083	1.5
292.22797	4.3
294.24289	68.8
295.22662	3.6
299.51453	1.2
312.25189	2.1
317.18045	2.8
318.24423	4.7
333.17703	1.8
336.25360	17.4
351.18423	3.7
354.26428	69.8
355.26910	1.9
369.19592	2.5
378.98962	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74586	1.6
53.03950	2.1
55.01859	3.1
55.05298	1.6
55.05512	15.4
56.05043	3.2
56.96571	3.4
57.03438	2.7
60.04531	8.9
67.05509	29.2
68.05836	3.2
69.07076	10.0
69.91518	5.8
70.06596	1.7
71.04995	2.0
71.08632	6.4
79.05496	20.6
80.05025	1.7
81.03422	3.8
81.07061	28.1
82.06594	3.0
82.07394	3.7
83.05003	3.4
83.08615	8.7
85.02874	1.9
85.06549	2.6
91.05485	10.1
92.05821	1.9
93.07051	21.3
94.06560	3.9
94.07401	3.9
95.04964	9.2
95.08605	16.1
96.08134	2.2
96.08952	4.6
97.06515	2.7
97.10173	4.4
98.09716	1.9
98.20822	2.0
99.08089	4.7
100.11262	100.0
101.08826	1.5
102.78455	1.4
105.07015	10.2
107.04965	2.5
107.08585	16.0
108.08134	4.9
108.08910	2.7
109.06512	5.0
109.10165	9.0
117.07028	3.2
118.31268	1.3
119.08618	8.4
119.09339	1.6
121.10168	7.9
122.09666	1.7
122.10508	3.9
122.31173	1.5
123.11739	3.2
125.09637	4.6
126.12791	3.5
131.08560	5.8
133.10146	6.6
135.08014	2.2
135.11713	5.9
137.05957	3.0
137.22232	1.6
138.12761	3.7
140.14325	3.0
142.12283	24.5
145.10095	2.7
147.11681	3.8
149.09631	1.6
149.13284	5.6
150.12779	2.9
151.11140	2.8
152.14343	1.8
154.12279	2.9
155.10320	1.4
159.11719	2.3
161.13254	4.2
162.13612	1.6
163.11198	3.9
173.13329	2.2
177.12735	2.6
179.14331	2.4
181.28369	1.6
192.14032	1.6
206.15392	1.8
231.21094	2.2
244.21463	2.4
246.22261	1.7
255.09354	2.2
257.11359	1.7
259.20636	7.3
262.22440	14.0
273.18530	4.1
274.21759	5.9
276.23248	22.7
277.21628	28.2
281.93063	1.7
288.05695	1.6
291.19586	9.2
292.22806	4.4
294.24304	69.3
295.22559	2.4
305.11465	1.8
315.98276	1.8
318.24164	5.1
326.14691	2.9
336.25351	15.0
337.14554	2.4
354.17358	3.9
354.26434	76.5
355.18683	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	354.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97462	4.9
55.01863	7.0
55.05498	20.4
56.96550	13.9
57.03435	19.6
60.04517	5.7
61.02901	7.0
67.05235	4.9
67.05509	48.8
69.03426	7.5
69.07063	23.2
71.08634	9.4
71.56875	7.7
71.57238	5.4
76.41695	4.3
79.05493	45.3
80.05843	8.3
81.03452	12.4
81.07053	51.6
82.06559	6.6
82.07383	7.6
83.08606	12.2
85.02882	9.9
85.06533	17.3
91.05481	41.3
92.05806	8.4
93.07037	43.9
94.07357	16.8
95.04955	29.4
95.08614	24.2
96.08970	6.9
97.06564	9.0
97.10156	9.7
98.97585	8.8
99.08049	4.7
105.07026	26.5
106.07371	15.9
107.04958	6.6
107.08578	32.5
108.08924	9.6
109.06503	36.5
109.10131	8.5
113.06013	46.2
117.07001	11.3
119.08572	22.7
120.08920	12.2
121.10140	21.4
125.09638	9.8
126.12797	5.8
129.07002	6.4
131.08551	15.6
132.08943	6.4
133.10132	16.4
134.10461	11.1
135.08047	27.6
135.11687	11.6
136.12102	6.2
137.05962	22.8
145.10135	9.8
147.11682	14.1
148.12022	14.9
149.06020	6.0
149.09563	5.4
149.13283	9.1
151.07533	9.9
157.10135	8.2
161.09682	7.7
161.13239	8.2
162.13556	7.3
163.11127	7.4
163.13828	5.2
171.11679	8.7
172.12093	5.2
177.09178	9.6
177.12718	5.5
201.09077	6.5
203.10643	8.1
217.15836	8.3
259.20593	12.9
260.20969	16.3
261.21329	9.5
262.21460	17.1
273.18524	20.5
276.23141	16.4
277.21521	19.5
287.11710	4.9
291.19540	100.0
292.22641	6.9
294.24313	58.3
331.17474	10.1
336.25238	8.0
354.17239	22.2
354.26312	91.5
355.18433	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	354.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	25.6
56.03546	10.2
57.07068	14.0
58.72683	9.8
66.21305	10.2
67.05500	53.0
68.05862	13.7
69.07066	23.3
71.56750	17.7
73.06559	31.1
73.46237	9.9
79.05489	14.3
81.07056	62.4
83.04983	23.2
85.06564	12.6
91.05460	21.1
93.07034	32.0
94.07394	18.3
95.04971	18.1
95.08588	34.9
105.07016	31.4
106.07378	20.6
107.08598	26.2
109.10162	15.0
119.08522	15.9
123.04446	28.9
124.04809	16.4
131.08604	18.0
133.10139	57.7
134.10414	12.4
137.05974	19.2
151.11169	48.8
177.09189	19.4
179.17882	12.2
183.13803	24.3
262.18817	15.6
272.17343	16.1
289.17651	20.2
290.18240	98.4
291.10272	13.0
305.11841	22.1
320.92282	11.1
322.20831	100.0
354.41122	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	354.1181
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.03937	0.7
55.05502	0.8
56.96557	1.2
57.03437	1.1
59.04985	0.4
61.02914	1.4
67.05497	0.9
69.03431	4.2
69.07066	1.0
69.43810	2.5
70.06582	0.9
71.04980	0.7
72.08120	0.5
73.02909	1.3
79.05499	0.7
81.03417	1.2
81.07038	0.8
83.08622	0.5
84.04505	0.6
84.08109	1.1
85.02428	0.6
85.02910	8.1
87.04459	0.9
91.05487	2.7
94.06577	4.4
95.04974	0.6
97.02888	2.6
97.06518	0.8
98.97587	3.1
99.04477	0.5
99.08185	0.5
103.05465	0.6
109.02894	0.7
110.97549	0.9
115.07568	3.1
116.98637	1.0
117.05746	0.5
118.06536	5.3
119.24821	0.4
120.08082	0.7
122.06054	4.7
127.03917	1.7
128.98636	0.6
131.04927	0.6
131.07289	0.4
133.02835	0.8
134.06075	0.6
136.07516	0.6
139.11157	0.9
145.05040	1.6
146.06010	14.7
147.04439	0.7
147.06799	0.7
148.07608	0.7
150.05502	1.2
157.08614	1.9
157.12279	0.5
158.99713	0.6
162.05510	1.1
164.07074	5.8
174.05515	100.0
174.75015	0.4
175.06128	1.2
175.09683	1.3
176.03287	0.4
176.07092	0.8
187.06084	0.4
191.03882	0.5
192.06560	50.0
193.04984	5.0
217.53859	0.4
218.05232	0.8
219.01785	0.8
237.02870	1.1
239.02197	0.7
274.28162	0.4
279.03867	0.4
336.10904	1.1
337.11084	0.5
354.11862	55.4
365.05438	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03946	2.6
55.05510	15.5
57.03431	4.8
57.07061	4.9
67.05504	90.0
69.03419	1.6
69.07065	13.8
71.04998	3.5
71.08627	3.5
71.42549	2.5
72.02567	1.4
72.87090	1.4
75.04456	1.6
79.05062	2.7
79.05492	40.0
81.07055	100.0
83.05017	2.2
83.08609	6.8
85.06548	2.9
91.05485	20.0
93.07041	52.8
95.05001	2.8
95.08607	73.9
97.06548	4.5
97.10152	2.9
99.08063	1.6
100.50303	1.3
105.07020	15.8
107.08592	35.4
109.06521	2.5
109.10158	41.8
111.11664	2.0
113.09633	2.3
117.07034	10.5
119.08572	15.7
121.10143	30.4
123.08055	2.6
123.11709	21.7
131.08563	20.8
133.10139	14.9
135.08116	1.7
135.11678	25.0
137.13271	9.4
140.44531	1.4
143.29129	1.4
145.10130	17.4
145.67862	1.4
146.22038	1.4
147.11685	10.6
148.52534	1.5
149.13261	21.3
151.11125	2.3
151.14828	2.6
157.10126	2.1
159.11693	17.3
161.13289	11.8
163.14821	15.0
165.12784	1.8
173.13260	19.0
175.14821	3.2
175.77965	1.8
177.16393	5.3
179.14400	2.9
187.14876	10.4
201.16357	4.0
233.22604	3.6
243.21077	28.1
261.22147	96.9
279.23120	7.8
317.24728	2.6
335.25888	18.2
353.26913	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62519	1.2
53.03933	5.0
55.05511	12.6
57.03418	3.7
57.07068	5.0
59.57197	1.4
65.03917	2.4
67.05505	72.7
69.07076	13.6
69.28546	1.4
69.91182	7.5
71.04982	2.3
71.08626	6.1
79.05495	53.1
81.07059	79.1
83.05003	2.3
83.08611	8.6
85.06548	3.9
85.10161	2.1
85.18192	1.3
91.04907	1.5
91.05480	24.7
93.07048	67.9
95.04977	3.6
95.08611	66.5
95.48254	1.5
97.06534	4.3
97.10163	3.5
99.08076	6.4
105.07027	21.1
107.08596	45.3
109.06465	2.1
109.10162	26.6
111.08094	2.5
113.09654	4.6
117.07021	9.9
119.08585	16.3
121.10147	36.5
123.11705	9.9
131.08569	22.5
133.10121	13.5
135.08034	2.3
135.11681	27.2
137.09615	2.6
137.13243	6.5
145.10110	16.8
147.11684	13.5
149.09599	3.9
149.13271	21.8
151.14812	3.7
154.62006	1.4
157.10118	1.8
159.11702	13.7
161.13231	11.4
163.11180	1.8
163.14822	21.3
164.42961	1.5
165.16469	1.7
171.11678	1.5
173.13277	15.1
175.14833	5.2
177.12788	2.7
177.16402	9.2
179.14371	2.4
187.14818	10.2
191.14278	2.1
201.16388	3.5
205.15881	2.4
215.17961	2.2
233.19086	1.9
233.22629	8.8
235.84544	1.4
243.21104	36.6
261.22159	100.0
262.22440	1.6
263.23621	1.5
276.20428	2.1
279.22995	3.1
293.23093	1.9
315.49707	1.4
325.14200	1.6
335.26074	8.2
353.26425	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03933	3.5
55.05512	14.1
57.03440	4.8
57.07061	5.4
65.03935	4.2
67.05506	98.8
69.07063	16.7
71.04982	2.8
71.08617	2.6
79.05496	56.2
80.05000	2.5
81.07057	100.0
82.12359	2.2
83.04973	2.9
83.08627	10.6
85.06538	5.1
85.10168	2.9
91.05476	29.4
93.07042	76.4
95.04965	7.3
95.08607	85.8
97.06518	7.5
97.10190	3.6
99.08099	4.4
105.07032	26.8
106.94122	2.0
107.08593	47.2
109.06566	3.3
109.10161	34.6
113.09628	2.8
117.07012	14.1
119.08585	23.7
120.77915	1.9
121.10139	36.4
123.08068	2.1
123.11713	13.1
125.09644	2.7
129.06943	2.9
131.08583	25.4
133.10143	14.5
135.08049	5.6
135.11696	30.8
137.09570	2.5
137.13237	6.8
143.08537	2.4
145.10147	20.3
147.11711	13.5
149.09608	5.9
149.13263	21.8
151.14856	4.0
157.10112	6.6
159.11697	18.2
161.09604	3.4
161.13264	14.3
163.11214	3.5
163.14792	19.8
165.16446	2.2
171.11787	2.5
173.13225	18.5
175.14766	3.1
177.12773	2.5
177.16411	7.6
179.14355	2.5
187.14792	10.9
197.13293	2.4
201.16495	2.3
215.14296	4.2
215.17938	2.1
223.15143	2.7
233.22595	8.8
243.21077	38.9
261.22156	90.6
275.19986	4.4
276.20444	3.2
279.23291	3.2
293.23016	4.5
295.20535	1.9
325.14203	4.3
335.26111	13.5
353.25058	12.9
357.92010	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03952	2.7
55.05510	17.6
56.27136	1.7
57.03443	4.4
57.07072	7.1
63.97102	1.9
64.06128	1.6
65.03950	4.3
67.05506	88.8
69.07074	20.0
69.68909	10.1
71.08625	5.1
72.71907	1.9
72.72355	1.7
73.05981	1.5
79.05495	56.6
81.03391	2.9
81.07062	100.0
83.05000	2.4
83.08620	13.0
84.91116	1.8
85.06538	6.7
85.10173	2.1
91.05477	31.7
93.07047	67.4
93.07640	3.8
95.04954	3.2
95.08609	79.5
97.02936	2.7
97.06532	6.4
97.10173	3.8
99.08100	5.3
105.07039	20.3
107.08599	43.1
109.06528	3.9
109.10168	35.5
109.10916	1.9
111.08097	3.4
113.09653	3.0
117.07026	10.0
119.08573	13.5
121.10151	39.7
123.08098	2.4
123.11713	13.2
125.09620	2.6
131.08549	25.8
133.10136	14.6
135.11694	27.9
137.09602	4.4
137.13252	7.9
143.08571	2.0
145.10138	15.5
147.04034	1.6
147.11688	14.4
149.09654	2.6
149.13268	23.5
151.14882	3.5
159.11732	15.0
161.13232	12.1
163.11143	2.9
163.14822	18.4
171.11656	2.1
173.13269	17.1
175.14842	6.3
177.12804	3.3
177.16415	8.4
179.14339	2.2
187.14853	9.6
191.14354	3.1
201.16412	2.9
202.42223	2.0
205.15865	2.3
233.22641	9.3
243.21103	37.2
261.22156	86.2
279.23111	6.4
293.22977	1.8
325.14462	3.9
335.25891	16.2
353.22946	7.3
353.27133	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90973	1.5
53.03942	3.4
55.05307	1.3
55.05516	15.1
57.03432	2.9
57.07067	4.5
65.03933	2.1
66.92641	1.6
67.05505	73.3
67.99538	1.4
69.07073	11.1
70.01355	6.6
71.04996	1.6
71.08614	3.7
77.03848	1.5
79.05495	46.2
79.05961	2.3
81.07057	80.2
83.04983	1.7
83.08620	6.8
85.06538	3.2
91.05472	23.1
93.07046	65.2
93.07636	3.4
95.04954	3.1
95.08608	62.3
97.06537	3.6
97.10146	4.2
99.08073	3.9
101.78579	1.4
105.07036	18.4
107.08600	39.4
109.06537	1.7
109.10157	26.7
113.09634	3.1
117.07004	10.4
119.08577	13.8
121.10142	31.2
123.11683	12.8
125.09572	2.0
129.65150	1.4
131.08577	20.3
133.10146	8.3
135.11697	27.5
137.09692	1.7
137.13271	7.7
139.11176	1.7
145.10136	15.3
145.62743	1.7
147.11699	9.0
149.13264	20.5
151.11189	1.7
151.14825	3.6
153.12698	2.0
159.11684	12.9
161.13248	10.5
163.14822	12.9
165.12741	2.0
173.13266	14.8
175.14861	4.6
177.16373	6.8
187.14848	9.3
191.14262	1.8
201.16379	3.9
220.28786	1.5
229.07715	1.8
233.22542	7.4
243.21094	32.9
261.22134	100.0
266.39746	1.3
272.11221	1.5
279.23108	1.7
296.18137	1.5
335.25702	10.9
353.26846	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03941	2.4
53.38037	1.4
54.16876	1.7
55.05516	12.4
55.06609	1.6
57.03434	5.4
57.07058	4.5
65.03941	1.8
65.60358	1.5
67.05506	76.8
69.07068	10.2
70.01431	7.0
71.04978	2.8
79.05490	44.9
81.07055	76.1
83.03259	1.7
83.08618	7.3
85.06544	2.1
91.05477	19.1
93.07043	51.6
94.51581	1.8
95.05013	2.2
95.08607	55.5
96.46410	1.4
97.06519	2.1
97.10125	2.9
99.08077	2.5
105.07027	14.0
107.08607	32.7
109.10155	26.8
117.06993	10.1
119.08562	13.0
121.10138	30.1
123.11717	17.3
131.08572	16.9
133.10115	12.0
135.11694	23.2
137.13272	5.7
145.10126	16.5
147.11691	9.4
149.13272	16.5
151.14845	1.8
159.11723	14.1
161.13252	10.2
163.14830	13.7
173.13252	13.6
175.14781	4.5
177.16393	6.0
187.14777	9.5
201.16382	2.9
219.79861	1.7
229.49223	1.8
233.22610	5.2
243.21066	27.1
261.22150	100.0
263.23779	2.2
279.23145	2.3
335.25894	12.4
353.26868	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75572	0.8
53.03947	1.7
53.16646	0.7
55.05515	12.7
57.03441	6.9
57.07070	3.8
65.03941	1.9
67.05506	93.0
69.07065	10.6
70.52779	0.9
71.04986	2.1
71.08636	1.1
72.87550	0.8
75.04467	1.6
77.03931	1.0
77.80784	0.8
79.05495	37.6
81.07057	95.4
83.05017	1.2
83.08624	7.3
85.06565	2.2
91.04968	1.6
91.05482	19.4
93.07044	54.1
95.04955	2.1
95.08609	75.7
97.06548	2.9
97.10153	4.7
99.08093	2.7
105.04552	0.9
105.07028	15.9
107.08591	33.9
109.06508	2.1
109.10161	42.0
111.08145	1.4
113.09621	1.9
117.07035	9.8
119.08578	13.2
121.10145	31.1
123.08051	1.3
123.11708	20.7
125.09625	1.8
131.08571	20.0
133.09224	1.5
133.10141	13.8
135.11700	28.8
135.99963	0.9
137.09616	2.7
137.13232	7.3
139.11198	1.6
141.09299	0.8
145.10121	15.3
147.11682	10.4
149.09612	1.1
149.13263	19.8
151.11147	1.2
151.14804	3.1
153.12764	2.0
159.11713	14.3
161.13284	10.5
163.11182	1.3
163.14833	13.1
165.12776	2.6
173.13258	15.4
175.14828	4.5
177.12825	0.9
177.16426	5.5
179.14299	1.0
187.14841	9.3
191.14355	1.0
199.48123	0.9
201.16403	3.7
201.23454	1.0
205.15883	1.4
215.17978	1.1
219.17473	1.6
233.22792	4.3
243.19284	0.5
243.21086	25.7
261.22141	100.0
279.23163	9.2
317.24655	1.6
335.25784	15.9
352.41858	0.9
353.26889	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.17530	2.4
53.03941	2.9
55.01873	2.6
55.05517	16.5
56.96561	3.4
57.03420	3.7
57.07050	5.0
58.58113	1.9
67.05508	88.0
69.07071	16.4
71.04975	4.1
71.08627	3.8
71.56590	3.2
77.96951	3.2
79.05495	50.2
81.03378	2.0
81.07061	89.6
83.08616	10.4
85.06548	5.2
86.19802	2.2
91.05481	24.7
93.06479	3.8
93.07047	63.8
94.07351	2.6
95.04985	4.9
95.08604	74.1
97.06527	7.9
97.10189	5.5
99.08108	5.4
103.98486	2.3
105.07034	26.0
106.07381	4.3
107.08591	43.6
109.06554	3.0
109.10151	35.4
113.09660	2.2
117.07011	10.2
119.08572	22.8
121.10151	41.8
123.08078	5.4
123.11713	21.9
131.08574	21.3
133.06470	2.3
133.10130	18.2
135.11684	31.7
137.09636	3.3
137.13255	8.4
143.08635	2.3
145.10120	21.2
147.11690	13.2
149.13261	22.3
153.12758	2.5
157.10182	4.1
159.11685	14.2
161.09659	3.0
161.13242	11.3
163.14856	17.8
173.05492	2.6
173.13237	17.1
175.14871	4.3
177.16393	4.8
183.11647	2.2
187.14841	8.9
201.16406	3.5
233.22658	5.1
243.21141	26.0
261.22147	100.0
276.13034	2.3
279.23108	4.1
295.20566	2.6
328.25940	2.2
335.15689	4.7
335.25964	11.0
349.16611	2.2
353.17014	99.1
353.27063	33.2
354.26257	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	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.2
55.05511	14.9
57.03433	3.6
57.07071	5.9
67.05506	78.5
69.07056	9.7
70.08804	9.2
70.67665	2.2
79.05497	47.1
81.07060	86.5
83.08600	6.6
91.05482	21.4
93.06485	3.6
93.07047	61.9
95.08611	73.6
95.79832	2.4
97.06515	2.8
97.10135	3.9
105.07043	18.4
107.08584	35.2
109.06547	2.6
109.10159	38.3
111.08094	3.4
113.09633	2.5
117.07020	9.8
119.08589	12.7
121.10135	32.2
123.11693	14.1
131.08575	18.4
133.10109	15.3
135.11694	31.0
137.13249	6.5
145.07486	2.1
145.10110	16.4
147.11696	11.0
149.13277	21.2
151.14824	2.7
153.12775	2.4
159.11691	13.4
161.13245	9.7
163.14873	11.5
168.79393	2.1
173.13269	18.2
175.14853	3.6
177.16386	5.6
187.14818	11.1
191.81207	2.1
233.22562	2.8
243.21147	23.6
261.22141	100.0
279.23160	6.3
335.25818	10.8
353.26880	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03942	2.1
55.05512	12.9
57.03441	5.2
57.03658	0.9
57.07086	5.2
57.22046	0.8
61.70923	0.9
65.03929	3.4
67.05505	88.9
69.07063	12.6
69.84814	4.2
71.04990	2.2
71.08613	1.5
73.37392	0.8
73.47437	0.8
75.04468	1.8
77.03883	1.3
79.05493	42.2
81.07054	100.0
83.04974	2.0
83.08615	6.8
85.06528	2.5
85.23140	0.9
91.05478	18.5
93.07041	53.3
95.04960	2.5
95.08606	74.3
95.24682	0.9
97.06510	3.3
97.10165	3.3
99.08084	2.6
105.07027	15.8
107.08596	35.0
109.06483	1.6
109.10153	37.6
111.08074	2.2
117.07019	9.2
119.08584	14.5
121.10147	31.3
123.08086	1.6
123.11706	20.3
124.77258	0.9
125.09618	1.2
129.07089	0.9
131.08568	17.7
131.81752	0.8
133.10132	12.1
134.06290	0.9
135.11684	26.9
137.09625	2.4
137.13260	9.8
137.39604	0.8
139.11208	1.4
145.10123	15.3
147.11671	11.6
149.13261	19.8
151.11192	1.8
151.14801	3.1
153.12711	0.8
159.11684	12.7
161.13261	8.6
163.14828	13.6
165.12827	2.4
173.13263	15.0
175.14771	3.8
177.12741	1.3
177.16415	5.9
179.14365	1.4
187.14801	9.5
191.14342	1.9
201.16399	3.8
205.15982	1.5
215.18024	1.1
219.03528	1.0
226.77666	0.8
233.22675	3.7
243.21075	24.6
245.22578	1.2
261.22137	98.5
279.23132	6.1
317.24609	1.3
335.25793	17.5
353.26889	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	353.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55538	6.5
52.07272	7.0
55.05507	19.0
63.98917	8.0
66.23599	6.2
67.05522	22.0
69.07069	36.1
69.60152	15.3
69.60565	33.2
79.05502	15.3
81.07058	32.0
83.08650	12.1
91.05502	28.3
93.07036	44.6
95.04977	13.7
95.08617	80.2
105.07058	51.2
107.08608	45.4
109.10188	30.8
111.08094	40.6
117.07037	10.6
119.08585	100.0
121.10151	63.1
123.08069	7.3
123.11744	15.2
131.08591	24.8
133.10156	40.3
135.08076	17.5
135.11710	11.1
137.05980	71.5
140.28731	6.3
142.07813	8.2
143.08609	19.8
145.10159	34.0
147.08096	23.1
147.11731	16.9
149.09650	16.9
149.13293	7.5
155.08638	8.8
157.10146	34.3
159.08090	12.2
159.11717	27.6
161.09645	12.4
161.13304	17.0
169.10150	9.8
171.11749	15.8
173.13321	9.7
175.14879	21.6
177.09076	11.5
177.16357	40.6
183.11702	17.7
184.39226	7.9
185.13196	11.0
189.16414	22.5
195.11723	8.9
197.13315	11.5
199.14781	8.5
201.16348	8.3
211.14822	12.6
211.16760	7.1
215.17883	8.4
229.12152	10.2
261.75204	7.3
267.21179	10.0
284.17432	7.1
335.12738	8.8
353.24899	60.6
353.28601	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	353.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	8.0
54.59881	3.1
55.01859	5.4
55.05505	17.2
57.03435	12.2
57.07075	3.1
67.05508	74.7
69.07068	11.8
69.74796	15.4
79.05495	42.6
81.03420	12.2
81.07057	100.0
83.04992	33.9
83.08614	5.8
85.06541	8.8
91.05490	28.5
93.07050	64.8
95.04989	7.8
95.08607	68.1
97.06528	6.4
98.21395	5.7
99.08092	7.2
101.06004	7.8
105.07043	21.1
107.04967	27.2
107.08595	33.2
109.06534	10.5
109.10162	27.5
111.04473	32.2
111.08082	8.3
117.07009	14.3
119.08590	18.7
121.06509	3.0
121.10133	26.2
123.08087	5.8
123.11706	17.2
127.07523	3.4
129.07010	4.0
131.08566	23.6
133.10117	17.5
135.08054	6.5
135.11696	37.1
137.09584	3.0
137.13199	5.3
141.07025	3.5
145.06532	7.1
145.10130	17.5
147.08096	3.8
147.11745	6.2
149.13260	23.6
157.10101	4.8
159.08084	8.2
159.11728	24.9
161.09689	6.5
161.13264	6.7
163.14815	6.7
169.10120	5.0
171.11636	3.7
173.13274	14.0
177.12775	19.3
187.11172	15.1
187.14861	9.5
189.05818	3.1
205.12270	8.8
205.15913	5.9
206.19745	3.6
209.15373	10.0
233.15393	8.5
233.22620	5.5
237.14917	3.5
243.21114	19.4
253.15924	3.8
255.16023	8.8
261.18610	9.5
261.22116	72.6
271.16885	9.3
289.17981	44.2
293.20972	3.4
303.19510	18.4
307.91983	2.8
321.20593	31.5
335.25848	10.4
353.26996	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	353.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01863	6.9
55.05510	19.4
57.03419	2.0
57.07061	2.6
67.05175	2.8
67.05506	30.8
69.03430	2.8
69.07056	9.6
70.73161	2.2
70.73528	4.9
73.06554	40.3
79.05489	17.5
79.58372	1.5
81.03406	4.8
81.07057	27.3
83.04975	20.1
83.08607	3.6
85.06541	4.3
91.05471	16.2
93.07047	17.1
95.04987	13.0
95.08602	12.9
95.88565	1.5
97.02889	5.6
105.07013	15.2
107.04955	5.9
107.08606	14.3
109.06519	5.7
109.10163	11.9
111.04456	3.7
111.08087	3.5
115.07608	1.8
117.07022	5.5
119.08575	9.4
121.06481	4.1
121.10152	5.6
123.04430	44.0
123.08105	3.8
123.11690	3.0
131.08588	10.1
133.10088	11.9
135.04324	2.0
135.08041	4.8
135.11707	5.2
137.02359	2.5
137.05988	4.7
137.09604	3.6
143.08562	2.8
145.06482	2.0
145.10097	5.0
147.08054	4.3
147.11705	3.3
149.05997	5.5
149.09546	2.1
149.13261	2.9
151.07532	6.3
151.11192	8.0
155.08426	1.8
156.79079	1.7
157.10126	2.5
159.11702	6.0
161.09621	3.5
161.13132	2.4
163.07567	6.3
163.11250	2.1
165.09088	8.6
169.10176	3.7
171.11739	2.6
173.09737	1.9
173.13139	2.4
175.11125	2.4
177.09106	3.1
177.12761	4.9
179.07033	10.3
187.11076	3.8
205.12241	2.8
207.13849	2.8
219.13789	15.3
233.11722	6.1
235.13295	8.9
247.13272	5.2
249.14868	2.8
261.18509	7.2
261.22116	1.8
271.16968	12.8
279.15891	7.4
289.17972	95.6
293.21359	2.2
321.20590	100.0
353.23209	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	353.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76789	0.4
55.05499	1.3
60.04524	0.7
62.90110	0.4
67.05512	2.0
69.07038	1.2
69.58538	2.0
70.07393	0.4
79.05504	2.3
80.04993	1.3
80.05849	0.5
81.07032	1.3
83.08607	0.7
91.05472	1.3
93.07004	1.3
93.41912	0.4
94.06600	0.4
95.04948	0.4
95.08598	1.0
97.06522	2.1
97.10139	0.7
105.07018	1.2
107.08568	1.2
108.08891	0.8
109.02836	0.5
109.10135	0.8
119.08575	0.8
120.08084	0.4
122.10416	0.5
133.10049	0.5
134.10445	0.6
145.10129	0.6
147.11676	0.4
179.18584	0.4
213.09628	0.4
215.10840	0.4
223.15282	0.8
271.13873	0.6
275.22043	1.0
276.20407	1.7
291.21738	0.6
293.23077	3.5
325.14426	1.6
335.24445	0.6
353.14322	2.2
353.22928	100.0
354.23346	1.3
368.09821	0.4
371.22675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77155	1.7
53.03945	2.1
55.01858	2.4
55.05514	12.4
56.96556	2.4
57.03439	2.6
57.07076	71.0
58.11169	1.6
59.04979	3.7
67.05508	11.5
69.03438	10.7
69.07070	25.0
69.32167	5.3
69.32598	11.3
70.06590	4.1
70.07387	3.2
71.04979	5.5
71.08636	3.2
73.02921	3.7
77.61961	2.1
79.05492	6.5
79.23873	1.9
80.05836	2.4
81.03413	4.0
81.07059	41.6
82.07377	3.2
83.05000	3.9
83.08616	4.1
85.02905	16.0
85.06547	35.8
86.03223	5.8
86.09694	3.4
87.00826	5.9
91.05479	5.7
93.07027	4.6
94.07384	2.4
95.04955	2.9
95.08611	31.6
97.02879	8.4
97.06525	5.7
97.10175	20.3
97.80319	2.0
98.03224	4.4
98.20725	2.2
98.97606	3.1
99.04451	3.2
99.07483	3.2
99.08098	41.7
105.01849	8.0
105.07035	4.3
106.02177	3.2
107.08642	9.0
109.02889	2.9
109.06506	3.2
109.10123	2.3
111.08081	2.4
111.11719	2.5
116.61451	1.9
117.07039	2.3
119.08599	5.8
121.06524	2.2
121.10169	4.0
127.03934	10.9
128.04239	4.5
131.08571	4.7
133.10121	5.3
135.04395	3.3
135.08011	4.0
135.11678	4.8
137.05940	3.5
137.09711	1.9
137.13257	26.1
145.04936	6.7
145.10124	3.3
146.05283	5.2
147.11656	4.8
149.09648	2.2
150.13667	1.9
155.14313	100.0
164.07063	3.8
173.13235	8.9
173.15373	25.0
175.14848	4.4
179.14427	2.0
182.08159	2.6
185.13170	2.2
191.14372	8.5
191.16414	65.9
196.14258	2.6
213.14868	3.3
214.15186	5.6
217.04971	5.2
261.13165	2.8
293.06363	2.4
317.15970	2.7
328.27643	2.2
335.17041	13.3
353.06494	4.2
353.10330	2.2
353.15463	7.9
353.19620	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	353.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20172	1.0
54.04039	1.1
55.05497	3.1
56.01163	1.1
57.03430	1.2
57.07058	1.2
59.01981	0.9
60.15734	1.0
61.02903	1.0
67.05176	1.3
67.05509	19.5
69.03442	5.4
69.07063	9.8
69.56186	7.1
70.06587	1.6
71.04995	63.5
72.08107	1.4
79.05490	3.4
81.03397	1.4
81.07056	83.8
83.04971	1.0
83.08605	1.9
84.04512	1.3
84.08142	1.7
85.02897	11.7
85.06092	1.2
85.06547	16.9
86.09685	1.5
91.05449	1.9
93.07051	1.9
95.08608	63.2
97.02883	3.6
98.21493	1.5
99.04451	2.1
99.08093	1.6
105.01882	1.8
105.07005	1.4
107.08584	1.1
109.02845	2.0
109.10155	8.9
111.11720	2.1
119.08520	1.0
120.08104	1.2
121.06509	2.6
121.10096	1.2
127.03894	3.3
128.25813	1.2
131.08620	1.3
135.04387	1.1
136.07561	1.8
137.13261	18.8
145.04913	2.2
152.04779	1.0
152.07057	2.0
155.14310	100.0
156.10930	1.3
159.08319	1.7
162.05437	1.5
164.07051	3.2
173.15376	33.0
191.16435	28.0
204.10153	1.4
209.11658	1.1
250.74617	1.1
260.72269	1.1
263.07346	2.2
289.11960	1.5
308.52408	1.1
315.16901	1.2
335.12158	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	353.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01865	4.0
55.05500	5.2
56.96591	1.5
57.03440	3.6
61.02917	1.4
67.05498	4.3
68.36759	1.3
69.03431	22.7
69.07077	11.5
69.70377	2.2
69.70792	5.6
70.06599	1.9
71.04996	3.4
79.05485	4.7
81.03414	7.5
81.07054	6.1
83.04963	9.3
83.08620	2.9
84.08161	2.4
85.02905	23.4
87.04449	1.8
91.05476	5.6
93.07049	8.8
95.04981	2.5
95.08608	11.2
97.02905	7.5
97.06519	16.3
98.97588	2.2
99.04456	4.7
105.07034	6.1
107.08598	19.9
109.02872	3.8
109.06509	3.3
109.10156	5.6
111.08075	2.5
115.03992	1.6
117.07011	2.6
119.08586	12.4
121.06499	13.8
121.10134	15.2
123.08081	3.0
127.03931	8.4
131.08546	8.7
133.10143	11.0
135.08052	13.7
135.11674	12.1
136.06200	1.4
137.05988	2.8
137.09599	2.7
143.08580	2.0
145.04962	4.2
145.10135	7.1
147.11676	9.2
149.09628	5.8
149.13255	7.1
150.27127	1.3
157.12202	1.7
158.10933	4.4
159.08109	1.7
159.11659	2.3
161.09656	1.8
163.07423	1.7
163.11194	3.4
163.14822	7.7
171.11664	1.5
173.13263	21.9
175.14844	3.7
176.12074	1.9
189.12794	5.0
191.10645	4.4
191.14313	100.0
193.15831	1.5
203.14395	2.8
219.01849	1.4
295.12054	1.5
323.82800	1.5
326.48672	1.4
335.18408	2.9
353.15607	9.7
353.19601	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
53.94590	1.1
55.01877	5.9
55.05503	4.2
57.03419	3.4
61.02926	1.5
67.05498	4.3
69.03436	23.1
69.07072	7.5
70.06581	1.7
71.04987	2.4
71.07443	2.7
73.60290	1.1
79.05491	4.0
81.03427	6.8
81.07050	4.1
83.04974	9.0
83.08610	1.3
84.08073	1.5
85.02912	20.3
87.04484	1.5
91.05485	6.2
93.07070	9.5
95.04962	2.8
95.08609	11.2
97.02886	5.3
97.06536	14.7
98.97585	2.6
99.04475	3.0
105.07049	9.0
107.08611	20.0
108.69895	1.2
109.02871	3.0
109.06499	2.5
109.10155	4.7
111.08112	1.7
117.06998	2.8
119.08578	8.4
121.06513	12.0
121.10150	19.0
123.08047	3.6
123.11729	1.3
127.03936	6.9
131.08588	9.7
133.10147	11.7
135.08076	14.2
135.11713	12.4
137.09613	2.2
143.08571	2.7
145.04927	4.1
145.10138	5.6
147.11711	11.5
149.09636	5.8
149.13252	5.3
158.10927	4.9
161.09589	3.9
163.11156	2.6
163.14847	6.7
173.13263	21.1
174.74629	1.2
175.14836	3.6
185.06329	1.1
189.12794	3.2
191.14316	100.0
193.15814	2.8
203.14468	2.2
205.33755	1.3
307.91046	1.2
335.18668	2.6
353.10114	2.0
353.15564	4.3
353.19598	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	353.0844
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
53.76759	1.0
56.96559	3.5
57.03414	1.1
61.02922	1.4
64.94706	0.9
68.11754	1.0
69.03417	3.6
69.80000	5.5
74.06104	1.1
76.81303	1.0
81.03429	1.8
81.07040	1.1
85.02910	5.9
97.02886	3.9
98.97583	4.2
110.97585	2.0
116.98665	2.2
127.03933	1.8
128.98636	1.2
135.04419	1.7
136.07564	1.3
137.05946	1.4
145.04916	1.1
146.68982	1.1
149.01273	2.5
151.03909	5.7
158.99725	1.3
185.04283	2.1
217.04982	1.2
219.01802	1.6
233.03117	1.3
237.02824	1.9
251.04022	1.9
260.13034	1.2
269.05151	1.2
270.32953	1.2
293.05386	1.4
305.05109	1.3
317.11227	1.2
319.88049	1.3
335.12570	1.7
336.10681	1.3
353.08429	100.0
353.12906	3.8
354.09024	1.6
371.07928	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2846
Annotation	Melophlin F
Peak:m/z	Relative Intensity
53.03947	2.1
55.05516	7.6
56.05028	1.6
57.07057	2.7
58.02968	5.4
58.03194	0.9
58.06598	2.6
67.05510	23.3
69.07069	10.3
70.06591	33.1
70.86433	3.0
71.05018	1.3
71.08629	2.0
79.05496	14.5
81.07056	21.9
82.06581	10.2
83.08601	3.6
84.04483	4.9
84.08145	2.6
86.09698	1.8
86.36446	1.0
91.05491	5.8
93.07046	14.2
94.06561	6.1
95.08614	17.8
96.08129	9.5
97.06522	2.0
97.10173	3.1
100.11288	1.3
105.07015	4.0
107.08582	6.5
108.08109	2.5
109.08952	1.6
109.10158	11.9
114.12797	4.1
119.08565	4.6
121.10155	5.3
123.08086	2.2
123.11720	2.5
126.12798	32.3
131.08604	1.6
133.10138	2.3
135.11703	3.3
137.13228	1.9
138.12804	1.6
143.08638	1.0
144.71405	1.2
145.10132	2.5
147.11682	1.5
149.13251	3.2
150.12978	1.1
151.11142	1.3
152.14342	1.7
152.22102	1.1
154.12283	9.7
156.13855	1.9
161.13339	2.5
162.12775	2.5
166.15912	29.2
166.17259	2.2
168.13858	1.3
171.05145	1.0
173.13322	1.6
180.13847	5.7
187.15036	1.1
200.16400	1.8
205.15889	1.2
212.16464	31.4
220.16870	5.4
240.15845	6.0
250.18060	1.8
252.19591	36.2
263.23553	1.3
292.26306	1.3
293.24719	1.9
302.24606	1.3
303.23157	1.8
305.24701	1.6
307.26617	1.1
310.27359	1.5
317.24768	1.4
320.25903	1.3
322.27536	1.9
334.27518	5.9
335.29373	3.9
352.28461	100.0
353.28696	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02891	6.5
53.03928	10.7
55.05500	12.3
63.23981	7.0
67.05505	35.6
69.07063	16.3
70.28652	30.4
79.05500	24.7
81.07065	40.6
82.07394	8.2
83.08642	9.8
91.05487	24.8
93.07037	33.9
95.04948	18.5
95.08582	26.5
97.06532	11.2
105.07032	29.0
107.04943	10.5
107.08594	18.9
109.06541	10.0
117.07033	8.5
119.08604	18.1
131.08572	21.5
133.10121	20.0
135.08058	13.3
135.11670	18.1
145.10056	14.6
147.11671	9.1
154.94060	8.5
159.11650	11.3
172.13635	7.8
177.12807	14.1
219.17456	17.0
257.19009	17.7
268.45813	7.3
275.20114	100.0
307.22644	30.4
308.74844	8.1
320.23071	17.9
352.24136	27.5
353.76532	8.7
361.31363	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	352.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.7
53.03939	3.0
54.46961	0.8
55.01865	2.5
55.05510	20.0
56.05042	1.6
56.05830	2.8
57.03435	6.1
57.07063	2.3
58.06595	1.0
58.07406	1.0
59.04989	0.8
60.04519	6.9
60.43078	0.7
63.45707	0.8
65.03941	2.0
67.05506	40.8
68.05836	9.7
69.03423	1.7
69.07067	19.6
70.06567	1.0
70.07394	2.9
71.04984	3.1
71.08623	2.8
71.30534	0.8
71.57152	1.1
72.08968	1.1
75.04459	1.1
79.05495	46.8
79.85305	0.8
80.05030	11.7
80.05823	13.1
81.03429	2.0
81.07057	39.9
82.06590	1.5
82.07392	11.6
83.04974	3.5
83.08620	8.6
84.04483	0.8
84.08933	2.0
85.06538	3.0
86.06890	1.2
91.05481	36.6
91.13383	0.7
92.05812	11.6
93.07043	52.0
94.06565	4.6
94.07375	20.2
95.04968	6.3
95.08610	24.6
96.05297	1.0
96.08136	1.7
96.08941	8.7
97.06520	4.1
97.10175	6.4
98.09696	1.1
98.10468	0.9
98.97555	0.8
99.08089	5.4
100.08426	1.6
100.11240	1.1
103.05476	1.1
104.89332	0.7
105.04531	0.9
105.07033	38.3
106.06614	1.2
106.07346	16.3
107.04964	1.4
107.08598	35.2
108.08128	2.2
108.08916	12.7
109.06522	3.0
109.10162	11.1
110.06827	0.9
110.10493	3.3
111.08073	1.5
112.07600	0.7
113.09634	0.9
117.07014	7.3
118.07346	4.0
119.08582	31.5
120.08128	1.6
120.08914	17.5
121.06496	1.8
121.10143	19.7
122.09651	1.3
122.10475	10.9
123.08068	2.0
123.11709	2.2
124.12077	1.6
125.09632	3.6
129.06996	4.2
130.07364	3.0
131.08575	11.6
132.08913	7.3
133.06535	0.9
133.10138	25.4
134.09547	1.8
134.10466	16.8
135.08035	2.1
135.11676	15.6
136.08423	0.7
136.11134	0.9
136.12038	15.0
137.06013	0.8
137.09637	1.8
138.09953	0.8
143.08546	3.8
144.08885	4.2
145.10126	10.9
146.10443	7.4
147.11685	23.5
148.10999	1.2
148.12056	16.7
149.09619	3.3
149.13266	11.6
150.10085	1.2
150.13658	8.1
151.11186	2.1
153.09106	0.9
157.10124	5.4
158.10454	3.7
159.11703	9.7
160.12070	5.8
161.09668	2.2
161.13254	13.9
161.70668	0.8
162.10025	1.1
162.13618	15.9
163.11191	3.8
163.14867	3.4
164.11540	2.0
164.15170	2.7
165.12799	1.1
171.11653	4.8
172.12022	7.1
173.11870	1.2
173.13193	4.1
174.13641	4.7
175.11192	1.6
175.14842	5.2
176.15208	9.8
177.12790	3.8
178.13084	2.1
179.14380	1.3
185.13290	2.9
186.13589	6.2
188.15179	2.2
189.11197	2.0
189.12756	1.2
190.13075	1.4
190.16708	1.1
192.13857	1.5
199.14894	1.8
200.15205	4.7
203.14406	1.2
204.13742	4.6
206.15440	3.4
207.13849	1.1
210.14955	2.3
213.16431	1.3
214.16689	2.0
216.18303	1.2
217.19463	1.3
218.19930	2.4
222.14839	6.3
223.15570	0.9
224.16493	3.0
231.21089	1.5
232.17778	1.7
232.21439	6.2
236.16608	1.0
239.17912	1.3
241.19485	4.8
242.19888	23.0
257.19000	5.4
259.20572	10.8
260.20920	60.1
272.20200	1.0
274.21661	7.6
275.20053	16.8
277.21603	1.5
278.21976	15.9
290.21164	2.1
292.22711	33.6
316.22943	2.1
325.14392	1.0
334.24094	15.0
352.21844	4.4
352.25330	100.0
353.26089	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98827	1.2
53.03947	2.2
55.01867	3.7
55.05511	11.9
56.05027	4.2
56.96568	2.1
57.03436	3.0
57.27563	1.2
58.06612	1.9
60.04532	12.1
67.05177	1.8
67.05509	24.7
68.05019	2.7
68.05834	3.4
69.03439	1.7
69.07073	21.5
70.06590	2.7
71.04991	1.4
76.04445	1.2
79.05499	27.8
80.05023	25.7
80.05789	1.4
81.03414	3.0
81.07062	22.3
82.06601	3.0
82.07381	3.8
83.04976	3.3
83.08620	7.0
84.08127	2.1
85.06554	2.9
91.05487	21.4
92.05791	2.6
93.05819	1.5
93.07047	23.5
94.06570	11.3
94.07381	4.2
95.04966	6.3
95.07329	1.8
95.08608	14.8
96.08125	2.2
97.06538	3.8
97.10172	9.8
98.09749	1.4
98.21526	2.9
99.08138	1.6
105.06393	2.5
105.07039	25.1
106.06632	2.5
106.07320	2.1
107.04935	2.4
107.08592	22.8
107.67803	1.3
108.08120	4.9
108.08943	4.0
109.06529	2.8
109.10155	9.0
111.08067	3.1
113.06061	1.6
117.06996	5.8
119.06094	1.6
119.08591	24.0
120.08139	3.1
120.08942	3.6
121.06493	2.2
121.10165	11.7
122.10486	1.8
123.08093	2.5
123.11725	1.2
124.11235	3.1
125.09613	6.9
129.07022	2.1
131.08589	8.9
132.08896	1.9
133.10114	13.5
134.09630	1.8
134.10516	2.6
135.08035	3.2
135.11700	5.7
136.11185	3.4
136.12102	2.4
137.09613	3.3
143.08560	2.8
145.10127	8.1
147.11708	10.9
148.12091	2.7
149.09674	3.7
149.13237	2.2
157.10152	2.6
159.11719	5.6
161.13266	5.1
162.13744	1.8
163.11247	3.3
164.14305	1.9
171.11687	3.3
173.13310	3.4
177.12799	3.8
182.88930	1.4
189.11224	4.2
192.13864	1.5
197.13275	1.5
198.14903	2.5
204.13850	11.4
206.15479	4.2
207.13866	1.6
208.63568	1.2
210.14937	4.1
214.00961	1.4
222.14880	17.5
223.15736	2.2
224.16539	5.0
229.19650	1.5
236.16519	2.0
239.18005	2.2
242.19856	5.3
257.18997	7.6
259.20752	1.9
260.20914	11.7
274.21640	16.6
275.20090	36.9
276.20752	1.5
278.21973	2.8
286.34387	1.2
290.21246	4.4
292.22720	66.6
293.21024	3.2
310.23773	1.6
316.22708	3.5
334.23828	16.0
352.24976	100.0
353.16974	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	352.179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
53.53997	1.7
55.01868	3.6
55.05512	14.4
56.05027	2.0
56.96559	3.3
57.03431	3.4
58.99569	5.1
67.05504	41.1
69.03416	5.9
69.07064	12.4
69.34073	1.5
70.01510	8.3
70.06580	5.4
70.95227	1.5
71.04992	18.8
72.08131	2.3
73.02875	2.0
74.00668	16.8
76.02209	7.1
79.05494	24.8
81.03432	8.0
81.07056	72.8
83.04980	23.2
83.08651	8.9
84.08157	2.4
85.02898	9.2
85.06539	8.5
87.04446	2.3
88.03967	6.4
91.05479	18.6
93.06479	2.7
93.07046	39.8
95.04948	4.7
95.08607	34.8
97.02872	4.1
97.06535	29.8
97.10159	5.3
98.97575	9.1
99.02628	2.0
99.04470	2.2
99.08092	4.2
105.00072	3.4
105.07031	15.4
105.40315	1.8
105.72639	1.7
107.08614	18.5
109.06503	4.2
109.10147	10.9
111.08065	6.6
112.99176	1.9
116.98619	2.0
117.07004	8.2
119.08604	10.9
120.01164	18.2
120.99557	2.0
121.06492	3.6
121.10140	12.3
121.70409	1.8
122.02725	38.5
123.08024	3.4
123.11702	6.1
123.84724	1.7
125.09634	6.1
127.03820	2.3
127.07580	2.2
131.00119	3.0
131.08563	9.4
133.10104	17.3
135.08063	6.3
135.11691	28.6
136.06151	9.7
136.07341	2.1
137.05936	4.6
137.09613	5.4
147.11688	19.5
149.09583	4.6
149.13274	18.5
150.05527	2.9
151.05798	2.0
155.10652	9.7
157.10161	2.1
158.99590	1.7
159.11674	21.4
164.07088	4.0
164.11595	2.0
165.12805	10.1
167.73776	1.7
173.11745	3.3
177.00629	1.9
177.12750	35.5
180.13884	2.1
183.13786	3.1
195.13815	88.8
213.14865	41.3
220.09406	6.2
243.08685	13.5
257.64731	1.9
260.13004	3.7
263.03912	2.2
270.15073	2.4
276.12350	2.0
278.13864	6.7
286.14703	5.3
288.16223	14.4
290.17355	3.2
298.14816	4.7
316.15674	13.1
317.14227	15.0
334.16815	100.0
352.14459	1.7
352.17694	14.6
352.21182	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	352.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.8
55.01863	7.1
55.05510	11.6
57.03437	4.1
58.99575	3.8
61.02900	2.4
67.05508	23.5
69.03432	17.7
69.07068	57.6
69.32037	3.3
69.32439	10.8
70.06565	1.9
71.04994	18.9
71.62688	1.7
73.02911	4.7
74.00672	14.1
76.02224	4.4
79.05492	17.4
81.03413	13.2
81.07056	39.8
83.03863	1.9
83.04960	9.4
83.08616	7.4
84.08148	1.9
85.02906	52.5
85.06535	4.7
86.09696	5.2
87.00828	25.7
87.04466	4.5
88.02209	1.7
88.03988	4.1
91.05472	12.7
93.07043	23.5
95.04958	3.1
95.08605	19.8
97.01114	3.5
97.02891	35.9
97.06525	28.1
97.10185	12.2
98.97567	3.0
99.02637	3.5
99.04454	10.3
99.08106	2.1
105.01868	54.0
105.07077	8.6
107.08592	13.4
109.02863	14.2
109.06509	4.0
109.10114	4.2
111.02669	3.3
111.08063	4.5
115.03979	1.8
117.06988	3.9
119.08569	6.2
120.01176	19.4
120.20673	1.8
121.06485	4.2
121.10158	7.4
122.02723	11.9
125.09601	6.7
127.03918	47.2
129.01822	2.5
131.08554	6.5
133.10124	7.9
135.08073	3.3
135.11700	12.3
135.12560	1.9
145.04976	37.8
147.11678	7.3
149.13229	7.8
159.02878	8.9
159.11740	9.8
164.07060	2.8
165.12769	3.8
177.09140	1.9
177.12741	13.8
182.15401	3.7
183.13806	2.1
189.03879	2.7
194.15427	2.6
195.10229	2.3
195.13821	30.0
212.16475	5.1
213.14853	70.5
213.16898	3.8
230.17276	2.6
231.04962	20.1
249.06058	9.2
249.34271	2.1
258.15298	1.9
260.12927	8.4
270.15262	6.5
278.13831	5.0
286.14816	3.4
288.16327	7.7
292.15460	3.6
298.14618	4.1
316.15826	17.7
317.14240	12.8
334.16788	100.0
344.49228	1.8
352.17590	8.1
352.21497	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	352.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01860	3.4
55.05498	3.8
56.96578	3.9
57.03424	4.2
59.35321	1.3
61.02918	4.8
67.05502	11.6
68.99770	1.4
69.03433	4.2
69.07063	4.1
69.42439	1.4
69.68738	9.2
70.06596	8.0
71.04990	14.5
72.08154	5.7
73.02908	2.3
79.05489	10.6
81.03387	1.4
81.07057	32.0
83.04985	3.2
83.08604	3.5
83.59457	1.6
84.04489	2.1
84.08154	3.1
85.02914	17.4
85.06543	9.0
86.09711	6.3
87.04457	4.5
88.03960	2.3
91.05480	11.7
91.13776	1.4
93.07040	21.5
95.04935	2.1
95.08604	13.6
97.02892	9.6
97.06543	7.4
98.20782	1.7
98.97581	5.9
99.04448	5.1
105.07043	3.8
107.08611	7.8
109.06531	32.3
109.10173	9.8
111.08083	3.8
116.07130	1.5
117.07007	4.8
117.36309	1.5
119.04950	3.9
119.08598	1.9
120.08109	2.1
127.03935	3.4
127.07552	3.8
129.09119	5.4
131.08572	5.5
133.10110	5.2
135.08084	4.0
135.11679	12.1
137.05983	100.0
137.09630	6.8
145.04982	2.9
147.11691	3.3
148.36862	1.6
149.13203	1.8
155.07039	45.8
155.10660	19.1
158.99597	2.1
159.11758	8.5
173.08109	34.9
173.11758	10.5
177.12732	15.7
180.08844	1.8
190.08698	3.3
193.04459	1.8
195.13802	18.4
213.14799	8.8
218.11781	1.5
237.02666	2.0
245.12007	2.1
260.12845	1.8
264.15939	2.4
278.13989	1.9
317.14114	5.3
320.14801	2.4
334.13058	2.8
334.16763	10.6
334.20190	1.8
352.11032	8.7
352.17477	11.5
352.21558	2.6
352.25549	1.8
353.13983	1.8
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
53.03947	5.5
55.01868	7.3
55.05521	3.6
56.96572	2.9
57.03420	5.7
57.62301	3.0
58.60891	2.5
60.04531	3.3
60.54391	3.0
61.02925	5.6
67.05506	19.6
69.03428	38.1
69.07071	88.1
70.06584	8.4
70.13948	6.7
70.14328	4.8
71.04994	14.0
72.08149	11.9
73.02901	9.4
74.00676	14.9
79.05499	6.3
81.03423	21.2
81.07059	16.1
83.04985	3.7
84.04488	3.8
84.08129	4.3
85.02908	100.0
85.06541	3.8
86.09698	14.8
87.00834	42.8
91.05466	6.6
93.07016	5.5
95.04979	2.8
95.08620	24.7
97.02895	69.3
97.06519	5.9
98.97588	7.8
99.04464	17.5
99.08062	3.0
105.01186	4.9
105.01869	91.7
105.07061	4.7
107.08575	7.5
109.02874	19.0
109.10157	41.7
110.07106	3.4
111.08119	2.8
112.02985	2.5
117.01831	3.5
119.04946	2.5
119.08570	7.0
120.01179	34.7
120.08126	6.1
121.10177	3.3
123.04362	2.8
127.03925	77.3
131.08572	3.3
136.06184	73.3
136.07635	4.7
136.43861	2.5
137.05972	3.2
137.09645	22.5
145.03903	4.7
145.04958	58.8
149.09605	6.2
154.86189	2.6
155.10663	50.6
155.14333	11.7
159.02893	10.3
166.08629	5.0
171.13693	3.5
172.14145	3.6
173.11740	24.6
176.03319	11.6
177.09117	2.5
184.03096	3.7
185.03908	11.3
185.08205	3.9
191.16466	3.3
202.10896	5.6
213.03874	3.2
220.11916	79.9
224.45596	2.9
231.05013	29.1
239.08575	9.3
249.03601	3.0
249.06000	18.9
252.10303	2.4
279.89963	2.5
298.10968	5.4
302.61151	2.9
334.13071	3.7
334.20120	3.6
352.17310	5.7
352.21164	7.6
352.25320	3.6
353.25281	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	352.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
54.06147	1.9
55.01860	7.7
55.05510	14.0
57.03428	4.0
57.07066	3.2
58.99573	3.5
61.02913	3.7
65.03909	2.6
67.05508	22.3
69.03067	3.0
69.03425	26.7
69.07069	75.2
70.06580	2.4
71.04993	18.6
71.56348	4.3
72.08133	3.9
73.02899	7.1
74.00668	10.6
76.02216	3.5
79.05485	17.0
81.03423	15.7
81.07054	37.9
83.04961	7.7
83.08604	7.4
85.02905	72.3
85.06519	8.6
86.09682	7.1
86.99081	2.6
87.00828	36.0
87.02676	2.7
87.04443	4.8
88.03971	4.6
91.05493	11.9
93.07034	21.1
95.04958	2.4
95.08611	19.1
97.01086	1.9
97.02890	40.7
97.06531	30.7
97.10162	8.8
97.44620	2.0
98.97618	2.7
99.04457	11.8
99.08075	3.8
101.06001	2.0
105.00128	2.4
105.01862	71.0
105.07017	6.3
107.08560	9.6
109.02853	17.6
109.06492	5.7
109.10163	6.7
111.08083	4.3
113.06002	1.8
117.01858	2.9
117.07043	4.0
119.08569	4.5
120.01166	18.0
121.06506	2.5
121.10159	6.6
122.02711	15.8
123.08067	2.6
123.11721	2.2
125.09641	7.2
127.03913	67.8
129.06979	2.0
131.08530	6.1
133.10121	7.4
135.08034	2.9
135.11679	8.1
145.04962	44.6
147.02855	2.6
147.11673	8.1
149.13271	9.3
155.10649	5.6
155.14291	3.8
159.02899	12.2
159.11713	10.5
164.07031	6.4
165.12733	5.6
177.09209	3.0
177.12746	12.2
182.15393	4.0
195.13795	31.4
212.16475	4.3
213.03835	3.3
213.14836	61.1
231.04993	25.4
243.58833	2.1
249.06055	12.7
260.12888	15.8
270.15332	3.3
276.12238	3.5
278.13937	4.6
286.14520	3.9
288.16095	5.0
290.17523	4.7
292.15488	4.5
297.16415	2.1
298.14691	4.9
299.13177	2.2
316.15784	17.9
317.14114	9.9
334.16818	100.0
352.17694	6.1
352.21259	5.1
352.25711	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	351.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71403	3.7
53.03913	3.9
53.18598	3.5
55.05511	23.9
57.07071	7.1
57.91291	4.2
67.05505	34.4
68.43893	3.9
69.07063	59.7
71.05013	8.5
71.15660	9.4
71.22241	4.0
79.05493	35.5
81.07053	54.7
83.08624	12.4
91.05481	51.2
93.07040	68.1
95.04967	24.6
95.08601	63.4
97.06521	16.9
105.07034	86.5
106.07350	6.2
107.08594	57.1
108.96817	4.0
109.06509	14.7
109.10148	47.5
111.08034	4.9
111.98132	4.0
115.05462	5.6
116.06297	4.8
117.07005	13.1
119.08575	100.0
121.06494	9.7
121.10146	46.2
123.11685	19.3
128.06219	5.0
129.07018	15.1
130.07800	11.3
131.08582	42.7
133.10118	54.1
134.10393	6.9
135.08073	16.4
135.11694	16.5
137.09718	5.4
137.13246	9.5
142.07777	16.0
143.08554	28.1
145.10133	54.2
146.07268	11.8
146.10492	7.1
147.08051	5.4
147.11699	35.4
149.09625	14.4
149.13260	5.5
155.08591	9.4
156.09317	7.4
157.10124	48.2
159.11722	28.5
161.09610	52.5
161.13272	14.6
169.10144	11.1
170.10815	5.8
171.11711	29.5
172.12218	4.5
173.09619	4.9
173.13275	12.8
175.11223	6.6
175.14796	18.5
177.16391	26.2
179.08533	7.1
181.10207	6.1
183.11732	11.3
185.13281	18.0
187.14867	5.2
189.16368	17.1
196.12453	5.2
197.13249	16.7
199.14781	12.2
201.12595	4.5
201.16513	8.0
203.17938	9.1
209.13310	16.2
211.14929	6.1
220.58461	4.6
227.17873	4.6
240.18549	4.8
241.19649	10.0
255.21201	5.8
263.17868	5.1
267.21191	5.6
271.20477	5.0
333.25885	6.9
339.94376	4.3
351.26675	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	351.2529
Annotation	Tetrahydrocorticosterone
Peak:m/z	Relative Intensity
52.34545	1.7
53.03932	7.0
55.01869	11.7
55.05268	2.1
55.05513	30.2
57.03435	4.0
57.07077	8.2
65.03921	4.1
67.05503	49.5
69.03429	2.9
69.07071	34.4
69.37402	10.5
71.04984	6.8
71.08605	2.6
73.60867	1.7
74.57026	2.1
79.05490	45.0
81.03407	2.1
81.07057	100.0
83.01337	3.0
83.04990	11.5
83.08609	20.4
85.06536	7.3
89.05999	2.0
91.05487	37.1
91.08723	1.9
93.06477	2.9
93.07047	49.9
95.04972	11.8
95.08607	99.3
97.06530	15.5
97.10181	8.2
99.08071	3.6
105.07035	36.8
107.04956	9.5
107.08587	27.9
109.06526	9.6
109.10167	19.5
111.04443	7.0
111.08076	8.9
112.62124	1.8
113.09597	1.9
117.07014	8.4
119.08581	45.0
121.06491	9.3
121.10142	23.6
123.04435	1.9
123.08102	8.8
123.11703	5.1
125.06026	3.4
128.06131	2.5
129.06985	6.8
131.08569	15.0
133.06482	5.8
133.10133	32.6
135.08070	8.2
135.11684	23.9
137.09613	4.7
137.13239	10.1
139.07510	5.9
141.09077	2.3
143.08546	6.0
145.10129	15.8
147.08037	12.2
147.11684	7.6
149.09641	3.7
149.13231	6.5
151.09636	2.5
151.14757	2.1
154.42003	1.5
155.10637	2.0
157.10095	4.1
159.11697	8.6
160.72993	2.2
161.09628	7.8
161.13257	66.8
161.14618	3.8
163.11218	2.4
171.11729	2.9
173.13234	4.9
175.11159	2.1
177.12750	3.3
179.14311	60.5
185.13231	3.0
187.11061	1.9
199.14903	2.3
205.12152	2.1
207.13815	7.4
209.15289	2.5
211.16884	18.0
221.15329	2.7
231.17551	2.1
255.21051	2.5
257.17404	4.3
273.22137	25.3
277.21320	2.4
283.20486	5.9
291.23221	15.3
301.18274	3.6
301.21619	50.9
319.22656	53.4
333.24231	18.8
351.25381	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
49.99959	1.6
52.82709	1.7
53.03941	4.4
54.87605	1.7
55.01860	6.7
55.05512	27.2
57.03443	19.3
57.07063	5.7
63.33493	1.9
65.03944	2.9
67.05506	67.8
69.03411	4.5
69.07071	25.2
70.56057	5.9
71.04976	3.9
71.08633	52.5
78.86498	1.7
79.05495	59.8
81.03409	8.0
81.06592	4.5
81.07056	73.9
83.04994	12.9
83.08614	20.4
85.06518	5.7
91.04975	3.1
91.05485	39.8
93.07044	72.9
95.04972	14.9
95.08607	51.4
97.06524	10.8
97.10171	9.1
99.07504	2.6
99.08105	43.3
105.07037	39.2
107.04939	6.8
107.08596	40.2
109.06508	7.4
109.10157	21.7
111.08048	5.1
113.09665	3.6
117.07013	8.4
119.07919	2.4
119.08587	22.9
121.10141	32.5
123.08036	5.0
123.11700	7.4
125.09636	4.6
129.06992	5.3
131.08575	8.3
133.10133	27.4
135.08086	2.6
135.10707	2.5
135.11700	40.9
137.09601	6.1
139.07552	2.0
141.09068	3.1
143.08545	5.9
145.10135	13.4
147.11687	18.1
149.09641	3.0
149.13237	17.1
151.11198	25.5
153.12779	2.3
157.10068	2.8
159.11717	8.1
161.13275	25.5
162.98561	1.8
163.11192	11.3
163.14790	3.9
165.12709	6.2
167.10675	2.5
171.11685	5.6
173.11794	3.6
173.13280	5.1
173.48927	1.8
175.14807	6.5
177.12747	5.4
179.14313	75.7
181.12224	2.2
185.13283	4.9
189.12685	2.7
191.34706	1.8
199.14784	5.0
207.13779	1.9
221.15367	3.4
231.21127	3.9
235.16901	4.4
241.19565	12.7
249.22017	3.0
259.20563	25.2
277.21640	55.7
351.21454	10.6
351.25269	100.0
352.25098	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33838	1.8
53.03954	4.6
55.05307	1.6
55.05516	18.3
56.96549	6.0
57.03431	5.6
57.07060	2.6
67.05180	3.0
67.05511	43.4
68.78924	1.9
69.07069	14.8
71.04990	1.9
71.08643	2.7
79.05497	58.6
81.06596	2.5
81.07064	43.8
83.08608	6.0
85.06561	3.9
86.96525	1.7
91.05487	60.1
93.07052	80.9
95.05001	4.9
95.08616	37.5
97.06526	2.9
99.08083	5.4
105.07036	64.3
107.08605	43.9
109.06510	2.8
109.10144	12.6
113.09624	2.3
115.05501	1.8
117.07030	12.9
119.08588	52.8
121.10158	39.1
123.08109	2.6
123.11695	2.7
129.07031	10.2
131.08589	26.5
133.10147	53.6
135.08095	2.1
135.11711	38.6
137.09613	3.0
143.08554	10.5
145.10147	18.1
147.11694	51.2
149.09595	2.7
149.13263	17.1
151.11118	2.5
157.10143	9.4
159.11732	24.0
161.13246	36.6
163.14845	5.2
171.11736	16.7
173.13255	10.4
175.14854	16.5
177.12714	3.3
185.13261	15.7
187.14899	4.2
189.12842	3.3
199.14847	7.7
213.16325	2.7
231.17470	4.6
231.21021	9.8
241.19485	34.0
255.09215	3.8
259.20602	100.0
267.09006	2.5
269.10654	3.1
273.10129	2.5
277.21667	8.4
333.17389	6.2
333.24057	4.0
351.18814	12.1
351.25311	78.8
369.19455	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.05512	12.4
57.03418	3.7
58.13348	1.7
65.03925	2.4
67.05504	34.8
69.06750	1.4
69.07066	11.5
70.80389	3.2
70.80739	1.9
71.04993	2.8
75.04484	2.4
79.05494	49.9
81.06585	2.7
81.07054	43.2
81.49580	1.7
83.04972	2.2
83.08614	5.3
85.06552	3.7
91.04903	2.5
91.05479	50.7
93.07043	69.4
95.04931	1.9
95.08606	29.1
97.06507	2.7
98.21389	1.8
99.08089	4.9
105.07032	54.1
107.04979	2.1
107.08596	40.2
109.06556	2.3
109.10159	9.3
113.09631	1.8
117.07021	12.5
119.08580	50.9
121.10143	30.3
123.11695	2.8
128.06140	2.0
129.07014	9.5
129.23134	1.6
131.08553	23.8
133.10139	44.2
135.11682	32.3
143.08551	9.5
145.10121	20.2
147.11697	42.0
149.09561	1.9
149.13245	18.1
151.11159	2.9
157.10114	9.3
159.11694	17.8
161.13245	43.6
163.11145	3.7
163.14821	6.9
171.11694	12.3
172.65952	2.0
173.13272	12.5
175.11218	2.5
175.14824	19.2
177.12796	1.8
185.13257	13.7
187.14777	2.4
189.12801	3.0
199.14877	9.7
203.12442	1.7
213.16325	5.7
215.17885	1.7
217.15932	2.1
217.19438	3.4
231.17435	2.2
231.21010	11.3
241.19513	38.3
253.58452	1.9
259.20584	100.0
277.21674	5.9
333.24124	3.8
351.25305	84.0
352.25400	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.05511	19.9
57.03429	9.6
57.07077	2.0
61.54403	1.8
67.05506	44.3
68.60432	2.0
69.07066	15.1
71.05015	3.2
74.87650	2.0
79.05492	64.5
81.07058	50.1
83.04965	2.0
83.08605	8.8
85.06508	3.2
85.99523	1.9
91.04914	2.6
91.05474	44.7
91.06022	4.0
93.07042	87.6
93.07631	4.8
95.04987	2.6
95.08601	35.5
97.06520	3.5
97.10168	5.1
99.08087	5.1
105.07035	51.2
107.08597	51.6
109.06526	2.6
109.10166	14.9
111.08052	2.5
117.07028	9.0
119.08578	50.1
121.06502	2.3
121.10140	44.1
123.11733	4.3
129.07069	9.7
131.08577	19.1
133.10130	49.7
135.08070	2.9
135.11702	50.8
137.25142	2.3
143.08563	10.7
145.10092	18.3
147.11688	46.2
147.12799	3.1
149.09613	3.4
149.13260	22.9
157.10062	9.8
159.11674	19.9
161.13263	36.5
163.11125	2.8
163.14839	10.2
171.11684	15.0
173.13242	11.4
175.11224	2.8
175.14832	20.8
175.44701	2.1
177.12755	3.6
179.14430	2.5
185.13281	17.6
187.14838	5.1
189.12868	3.1
199.14824	9.5
213.16447	3.3
217.19441	5.3
231.17482	4.6
231.21077	9.0
241.19524	40.2
259.20593	100.0
270.64081	2.0
277.21613	14.4
315.23508	2.3
333.24319	10.2
351.25308	88.4
351.29630	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.05515	10.0
57.03428	4.2
57.07064	3.7
61.54235	1.5
65.65104	1.6
67.05512	27.7
69.07072	10.6
69.34442	3.3
69.34846	9.1
72.53394	1.7
75.19218	1.7
79.05495	43.9
81.07057	33.6
83.04982	2.1
83.08601	4.9
85.06541	3.3
91.05483	48.6
93.06475	3.2
93.07046	57.1
95.04977	4.8
95.08614	25.1
97.06558	1.9
99.08095	6.4
104.28992	1.7
105.07031	48.9
107.08603	27.9
108.40759	1.7
109.06517	2.0
109.10168	7.2
116.48837	1.9
116.77628	1.9
117.07033	12.5
119.08586	43.0
121.10149	26.1
121.91558	1.7
123.11681	3.3
128.06172	2.0
129.07004	9.2
131.08582	13.1
133.10132	36.6
135.11693	26.5
143.08562	9.7
145.10126	14.5
147.10513	2.3
147.11687	38.6
149.09595	1.6
149.13257	16.3
151.18498	1.9
157.10144	7.8
159.11710	14.7
161.13268	33.3
163.11180	2.5
163.14806	6.7
171.11667	14.8
173.13225	9.1
175.11272	2.1
175.14778	10.8
177.12784	2.8
185.13293	12.1
187.14851	1.8
189.12717	2.2
190.89384	1.6
199.14789	5.5
201.16370	1.8
203.14221	2.0
213.16399	3.1
217.15948	1.9
217.19534	4.3
231.17415	2.4
231.21071	8.9
241.19516	31.0
259.20578	100.0
277.21533	2.3
333.24216	3.9
351.21475	7.1
351.25287	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.4
55.01875	2.8
55.05513	16.7
56.03262	1.9
57.03454	9.9
57.03675	1.8
57.07067	4.4
59.13204	2.2
65.03932	2.2
67.05505	51.9
69.07069	16.2
69.28654	16.2
71.04977	4.2
79.05495	72.8
81.07060	60.3
83.04961	3.9
83.08602	6.1
85.06525	4.5
91.05482	57.7
93.07045	96.6
95.04950	3.7
95.08609	35.6
97.06538	4.0
97.10145	3.7
98.21483	3.7
99.08089	4.3
103.01501	1.9
105.07030	56.9
107.08591	58.0
109.06496	2.9
109.10153	12.2
117.07012	12.0
119.08584	52.9
121.10150	47.8
123.11705	4.7
125.09607	2.7
129.06978	7.2
131.08582	21.5
133.10127	49.7
134.37840	1.8
135.08012	3.3
135.11693	41.8
143.08560	10.3
145.10114	19.5
147.11685	46.8
149.09541	3.4
149.13263	30.1
157.10104	11.7
157.93674	1.9
159.11691	17.6
161.13263	44.9
163.11137	2.7
163.14853	7.3
171.11687	15.4
173.13292	11.5
175.11218	3.3
175.14830	23.0
177.12791	5.3
185.13226	14.9
199.14828	6.8
201.16374	3.0
203.14398	2.8
213.16469	4.5
215.18080	2.8
217.19489	7.0
221.15221	2.5
221.27383	2.1
231.21080	5.9
241.19557	39.8
241.21954	1.7
259.20584	100.0
277.21646	16.0
333.24182	14.7
351.25299	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
54.33775	1.3
55.01870	2.6
55.05268	1.5
55.05512	17.9
56.03502	1.2
57.03441	17.4
57.07061	5.0
57.78218	1.3
59.04993	1.5
65.03942	1.9
66.53514	1.1
67.05506	53.5
69.03419	1.6
69.07072	17.6
71.04997	2.7
71.08634	56.0
71.56995	1.6
79.05494	41.0
81.03419	8.5
81.07059	50.7
83.04980	11.3
83.08648	10.6
85.06535	4.2
91.05482	34.5
91.06012	0.6
91.33773	1.1
93.07047	61.5
95.04971	10.5
95.08608	39.6
97.06537	10.3
97.10155	2.8
99.08097	35.8
99.52867	1.1
105.07041	26.4
107.04935	6.7
107.08598	33.6
109.06514	3.8
109.10164	15.6
111.08092	2.9
113.09647	2.7
117.07042	5.4
119.08582	20.3
121.06487	1.8
121.10155	34.6
121.11035	2.0
123.08103	2.7
123.11687	2.8
125.09602	1.6
127.11181	2.1
129.07028	3.3
131.00075	1.3
131.08522	6.0
133.06503	1.2
133.10124	16.9
135.11699	40.4
137.09647	5.7
139.11186	1.8
140.98462	3.7
141.09111	4.3
143.08566	3.3
145.10126	8.1
147.11671	7.2
149.09554	1.2
149.13266	10.1
150.12990	1.3
151.11201	22.5
153.12720	2.8
157.10123	4.3
159.11703	6.3
161.13269	12.2
163.11234	7.0
163.14841	2.6
165.12762	2.3
167.10677	2.2
171.11687	4.2
173.13268	2.9
174.98961	1.8
175.11237	1.4
175.14838	3.7
177.12775	5.5
179.14317	100.0
185.13280	3.8
189.12715	3.4
195.13799	3.3
199.14804	1.4
206.89725	1.3
207.13803	1.7
221.15390	3.2
235.16937	7.0
241.19545	3.5
259.20599	9.8
277.21628	49.3
333.13699	4.0
333.17374	1.6
351.25308	61.2
352.25095	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95075	1.1
51.02377	1.8
53.03942	4.5
55.01864	2.3
55.05512	18.1
56.96563	8.4
57.03440	9.3
57.07073	2.9
57.60703	1.0
61.63731	1.1
63.76740	1.2
65.03938	1.6
67.05505	46.1
69.07070	15.2
71.04998	2.7
71.08626	6.9
71.25640	1.3
71.25962	1.9
75.04472	1.9
77.03922	1.5
79.05493	71.2
81.03407	1.8
81.07056	57.9
83.04977	4.3
83.08628	8.5
85.06537	4.9
90.89477	1.2
91.05480	54.8
92.73260	1.1
93.07044	95.0
95.04980	6.4
95.05497	1.0
95.08607	38.9
95.32430	1.0
97.06529	5.0
97.10172	4.1
99.08096	7.4
105.00231	1.2
105.04525	1.9
105.07029	57.0
107.05000	2.0
107.08595	59.9
109.06515	4.5
109.10166	13.9
110.97562	1.8
111.08098	2.2
113.09647	2.1
117.07011	12.2
119.06057	1.2
119.08584	56.5
121.06520	2.0
121.10141	44.4
122.10422	1.1
123.08068	3.3
123.11737	5.5
123.53510	1.0
125.09657	2.1
129.06999	7.8
131.08568	20.0
133.10133	45.3
135.08078	3.2
135.11685	45.7
137.09601	4.1
139.11188	1.9
142.07764	2.3
143.08560	9.6
145.10127	22.0
147.11688	47.3
149.09613	3.9
149.13251	25.6
149.14365	1.9
151.11220	3.2
153.02225	1.4
157.10136	11.3
159.08139	1.5
159.11688	20.8
160.12560	1.2
161.09589	1.5
161.13264	32.6
163.11115	5.2
163.14856	6.1
165.12801	2.8
169.10135	1.3
171.11673	13.8
173.13264	11.3
175.11259	2.7
175.14821	16.6
177.12793	2.9
179.14334	8.4
185.13239	11.8
187.14839	3.7
189.12790	3.5
191.14287	1.8
195.11650	1.4
199.14784	7.5
203.14244	2.1
207.14047	1.6
213.16449	4.8
215.17972	1.4
217.15955	2.8
217.19342	2.1
224.15643	1.4
231.17499	3.2
231.21094	8.8
241.19516	36.5
243.08986	2.7
259.20575	100.0
261.22186	1.3
277.21579	14.8
309.53900	1.4
333.17377	10.0
333.24384	9.0
349.16904	1.4
351.18823	17.8
351.25351	94.7
352.25705	1.8
369.19385	10.1
374.19931	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.7
55.01855	3.9
55.05265	1.7
55.05510	21.8
56.96551	2.3
57.03437	16.5
57.07059	4.9
59.04981	1.7
64.98226	1.0
65.03918	1.8
67.05504	58.3
69.03432	1.7
69.06725	1.9
69.07067	22.9
71.04987	3.0
71.08633	53.0
71.26603	1.7
73.06546	1.4
77.03902	1.6
79.05493	53.0
81.03407	7.2
81.07054	60.9
83.04970	10.9
83.08620	12.4
85.06528	4.1
85.77035	1.1
91.05481	37.8
91.79801	1.0
93.07042	69.7
95.04969	11.5
95.08611	43.9
95.09135	0.7
95.09240	1.2
95.61887	1.2
97.06521	11.9
97.10153	3.9
99.08092	37.5
105.07026	30.7
107.04951	8.9
107.07861	2.3
107.08591	36.3
109.06516	4.6
109.10148	17.6
111.08084	3.9
113.09641	3.3
117.07004	6.9
119.08584	25.6
121.10146	32.3
121.11026	1.8
123.08067	3.1
123.11701	2.8
125.09609	2.3
127.07510	1.3
127.11195	1.8
129.07004	4.8
131.00154	2.2
131.08565	10.7
133.10127	23.2
135.08086	1.7
135.11687	36.4
137.09621	4.8
141.09126	3.0
143.08565	4.7
145.10115	10.1
147.11687	14.6
147.12794	1.7
149.01236	1.3
149.09689	1.9
149.13234	12.8
151.11171	18.8
153.12767	1.9
156.03577	1.6
157.10139	4.6
159.11681	6.0
161.09587	1.3
161.13263	17.8
161.39775	1.1
163.11185	9.8
163.14825	4.2
165.12746	4.0
167.10725	1.7
167.55695	1.1
171.11676	4.2
173.13283	3.7
175.11147	1.3
175.14755	6.7
177.12762	3.7
179.14308	100.0
181.12206	1.5
184.05666	1.3
185.13275	3.6
189.12747	2.2
191.14313	2.2
195.13771	2.5
199.14818	3.0
203.14308	1.6
206.33743	1.0
207.13887	1.5
213.16194	1.3
217.15840	1.5
217.19431	1.2
221.11530	1.9
221.15329	2.6
228.05699	1.6
231.17543	1.4
231.21054	3.3
235.16959	4.5
241.19466	9.2
259.20587	22.0
270.12964	2.4
275.20187	1.3
277.21606	48.4
316.82767	1.3
351.15720	4.4
351.21442	12.6
351.25287	75.2
351.65979	1.1
352.25146	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	351.232
Annotation	3,5-Dihydroxy-4-(3',7'-dimethylocta-2',7'-dienyl)bibenzyl
Peak:m/z	Relative Intensity
55.05509	18.4
57.07072	7.4
59.04992	3.7
65.03940	3.8
67.05507	23.1
69.07074	19.9
71.04983	3.8
71.57022	3.7
79.05487	26.6
81.07054	30.0
83.08600	10.7
85.06539	4.6
85.09270	3.1
91.05483	38.7
93.07051	47.1
95.04969	10.5
95.08601	33.9
96.20151	3.0
97.06509	6.4
97.10178	7.7
105.07032	57.9
107.08603	42.6
109.06493	8.2
109.10159	28.5
111.08101	17.4
116.76818	2.9
117.07018	12.5
119.06181	3.0
119.08593	67.2
121.10155	55.1
123.11733	9.2
123.37386	3.8
129.06995	11.8
130.07780	5.5
131.08582	35.1
133.10136	35.5
135.08037	7.6
135.11688	13.0
137.05943	21.0
137.09634	3.9
141.07056	6.4
142.07787	11.5
143.08568	28.5
144.09322	9.6
145.10123	50.5
147.08092	5.3
147.11694	16.5
149.09627	4.4
154.07788	3.9
155.08568	15.0
156.09317	8.9
157.10150	33.0
158.10870	4.5
159.08086	9.4
159.11693	28.6
161.09627	5.4
161.13248	12.8
167.08492	7.9
168.09357	7.8
169.10150	15.8
170.10939	5.2
171.11679	16.1
173.09602	4.9
173.13219	21.2
175.14851	8.8
180.09256	4.4
181.10115	9.9
182.10898	5.4
183.11673	24.9
185.13287	13.9
187.11165	3.3
187.14842	31.1
193.10164	4.3
194.10919	3.6
195.11690	16.8
196.12485	6.6
197.13303	14.4
199.11191	4.3
199.14841	11.8
201.12856	4.0
203.10822	3.8
205.59801	3.7
206.10962	5.2
207.11696	6.0
209.13222	16.1
211.11205	16.5
211.14862	12.1
213.12758	3.8
213.16367	6.2
219.11690	4.1
221.13414	4.7
223.14815	9.8
225.16428	5.5
228.97807	5.3
229.12270	14.8
233.13321	5.0
235.14780	4.8
237.12941	3.9
237.16397	5.6
239.17886	5.2
243.13744	4.1
249.16429	5.1
251.17892	4.8
252.18774	3.9
253.19519	3.7
257.15390	3.4
259.20609	7.5
265.19571	11.6
280.21875	3.6
281.22699	3.2
295.16953	5.6
305.22485	6.1
333.22177	13.2
339.09439	4.0
351.23093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2142
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.01865	0.4
55.05506	0.6
57.00938	0.3
57.03402	0.3
65.10509	0.3
67.05490	1.2
69.07089	0.7
70.61113	1.0
71.08636	0.5
79.05470	1.1
81.03418	0.4
81.07053	1.2
83.08654	0.5
91.05462	0.6
93.07044	0.8
95.08595	0.6
97.06535	0.4
98.21449	0.4
99.93508	0.3
105.07024	0.9
107.04873	0.3
107.08586	0.7
111.08082	0.5
121.10136	0.4
123.00797	0.5
125.02382	0.3
131.08560	0.3
132.40910	0.3
133.10109	0.4
137.09592	0.5
144.42801	0.3
147.11676	0.5
165.09085	0.4
174.47305	0.3
201.09688	0.5
213.09674	0.5
239.93390	0.3
253.13141	0.3
259.20410	0.4
277.21698	0.6
315.17929	0.4
333.19244	0.6
351.21414	100.0
352.21667	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
55.05521	17.9
56.96566	27.5
57.03430	6.1
57.07069	3.7
67.05508	40.0
69.07064	15.6
71.04987	3.1
71.08627	5.6
71.95236	3.3
75.04453	2.6
79.05497	58.9
81.07064	46.9
83.04951	3.1
83.08625	5.0
85.06499	4.0
91.05483	59.5
92.22578	2.5
93.07047	72.4
93.07633	4.5
95.04950	5.5
95.08612	31.8
97.10135	3.1
98.97562	2.6
99.08086	12.2
105.07030	65.3
107.08598	38.2
109.06551	3.4
109.10182	13.2
110.97568	4.5
111.08137	3.4
117.07017	13.6
119.08585	57.9
121.10153	36.5
123.08060	2.9
123.11722	4.1
128.98628	3.5
129.07007	8.8
131.08545	22.9
133.10135	44.1
135.11702	34.4
143.08589	10.0
145.10136	23.1
147.11691	45.3
148.35661	3.1
149.09656	3.1
149.13277	17.3
151.11185	4.6
157.10118	9.7
159.11726	17.9
161.13268	35.8
163.11163	3.7
163.14856	6.0
171.11693	12.9
173.13264	9.0
175.11082	2.4
175.14851	15.2
179.14235	3.6
185.13257	15.0
187.14839	2.7
189.12703	3.1
199.06468	6.7
199.14861	6.5
211.06561	4.0
213.16467	5.9
215.17897	2.8
217.07445	5.7
231.21121	9.1
241.19547	29.8
243.09061	2.8
251.09560	4.8
253.11165	3.1
255.09094	19.7
259.20581	100.0
264.03406	2.5
267.09036	5.4
269.10571	9.9
273.10028	8.8
277.21671	6.1
285.10144	7.0
333.17456	33.5
333.24045	3.3
351.18582	89.9
351.25296	73.5
369.19501	37.7
374.19904	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	351.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96302	0.9
56.96563	13.7
57.03429	1.2
69.03425	1.3
69.53148	0.7
69.70864	4.5
84.96031	5.1
85.02894	3.4
98.97585	100.0
110.97571	17.4
110.98336	1.1
112.99128	3.7
116.98624	20.4
124.99097	1.5
127.00703	1.8
127.56918	0.9
128.98599	9.3
129.02248	2.2
131.00188	2.0
134.99675	2.0
140.07042	0.9
140.98586	2.0
143.00151	4.5
144.98087	1.8
145.01675	1.4
146.99605	1.5
147.03293	5.7
152.98581	4.2
158.99664	39.5
161.01273	1.9
163.02873	1.3
165.04347	1.5
170.99652	7.5
171.03270	3.5
175.02814	1.0
177.00726	16.6
178.39528	0.8
189.00734	2.3
189.04329	9.4
189.05960	0.7
201.00716	5.2
201.04288	1.3
207.05376	1.4
219.01779	27.8
219.05138	1.1
231.05414	1.9
237.02838	23.5
241.33865	0.8
243.05595	1.1
249.06458	1.0
251.04253	1.1
255.03819	1.1
291.04224	0.9
291.07465	32.5
309.08575	74.8
310.08929	0.9
332.10101	1.8
351.09665	48.2
367.38174	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.269
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
55.05511	8.2
56.05040	5.8
57.03400	1.1
57.07076	7.6
58.06576	1.9
60.04527	10.2
62.80949	0.9
65.03944	1.2
67.05169	1.7
67.05505	18.5
69.03398	1.1
69.06789	0.9
69.07072	11.2
69.49932	7.1
70.06557	1.7
71.04976	1.2
71.08624	6.3
77.70506	0.9
79.05063	1.8
79.05493	23.7
81.07056	20.1
82.06574	2.4
83.04970	1.5
83.08615	4.5
84.08138	1.1
85.06525	2.1
85.10166	4.2
89.06033	9.8
91.05477	12.0
93.07043	33.6
95.04973	1.3
95.08604	16.7
96.08100	2.8
97.06503	2.4
97.10185	1.8
98.09702	11.9
105.06999	7.3
107.08592	20.0
108.25889	1.1
109.06454	1.6
109.10171	8.5
110.09679	2.8
112.11278	1.5
117.06995	2.3
119.08576	12.9
121.10146	18.3
123.08053	2.3
123.11737	1.4
124.11230	12.0
129.06970	1.4
131.08548	3.7
133.08565	3.1
133.10124	7.1
135.11684	17.9
136.24104	0.9
140.10710	1.9
143.08598	1.0
145.10138	5.9
147.11684	5.2
149.13235	8.9
151.09651	17.9
152.10657	1.1
154.12238	1.9
157.10095	2.0
159.11705	7.0
161.13284	2.6
163.14778	2.2
171.11777	3.8
173.13306	2.1
175.14864	1.6
177.12775	5.6
185.13327	1.6
193.81326	1.1
194.15414	3.2
218.15550	1.1
220.16818	1.4
226.18039	4.7
238.18152	1.2
241.19466	2.6
252.19574	8.6
254.21159	1.6
259.20569	9.2
276.23145	3.4
277.21561	5.8
280.19229	1.2
291.23151	12.0
300.23181	1.3
308.25833	12.5
318.24207	9.0
332.25900	1.6
333.30173	2.8
350.26913	100.0
351.27283	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25537	1.3
55.05515	6.0
56.05021	2.7
57.07084	6.7
58.06587	4.8
60.04525	11.6
65.03947	1.0
67.05173	1.6
67.05507	17.4
69.07069	7.5
69.47219	8.2
70.06605	2.7
71.08621	6.7
79.05075	1.3
79.05495	16.5
81.07056	22.0
82.06596	1.2
83.08627	3.5
84.08144	1.4
85.06535	1.5
85.10184	3.1
89.06026	8.5
91.05482	6.5
93.07043	23.0
94.06569	3.3
95.08610	13.8
96.08119	2.0
97.10158	2.1
98.09668	4.4
100.07656	1.6
105.07032	6.5
107.08599	10.7
109.06458	1.3
109.10154	5.2
110.09670	1.7
117.06990	2.4
119.08566	4.9
121.10160	10.0
122.09573	1.7
123.11762	2.0
125.09611	1.7
131.08557	2.2
133.10136	6.6
135.11717	8.6
138.12863	1.4
140.10713	1.9
145.10152	2.5
147.11691	3.9
149.13283	6.2
151.09659	9.9
154.12277	4.7
156.52942	1.3
159.11699	2.5
161.13220	1.9
163.14719	1.2
164.14369	4.8
169.97002	1.2
171.11859	2.5
173.13200	1.4
175.14734	1.5
177.12802	3.1
186.14915	2.8
187.41309	1.2
226.18030	1.8
259.20660	3.0
276.23044	2.4
291.23163	3.7
292.22699	4.0
308.25830	10.9
329.21942	3.1
350.26917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.269
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
53.03933	1.8
55.05517	20.8
56.05027	6.6
57.07073	6.7
58.02974	11.2
58.06588	3.5
60.04522	2.6
65.03936	4.4
67.05508	38.8
68.05027	1.4
69.06721	2.1
69.07069	22.1
70.06596	21.2
71.08636	14.0
71.42590	2.6
71.42960	1.5
71.57046	1.3
72.04512	2.5
72.08157	3.9
78.26576	1.4
79.05495	34.9
80.05016	5.2
81.03400	1.9
81.05797	4.3
81.07063	37.8
82.06582	17.3
83.04969	1.6
83.08615	9.3
84.04518	7.7
84.08145	38.5
84.08626	3.0
85.06564	2.3
85.10182	1.7
86.09737	1.4
88.11272	38.2
89.06033	3.2
91.05476	27.7
93.07043	27.7
94.06576	42.3
95.04969	4.8
95.07353	6.3
95.08611	28.1
96.04470	1.7
96.08128	14.3
97.06522	3.1
97.10188	4.1
98.06023	1.7
100.07636	1.9
105.07017	21.5
106.06557	6.2
107.07407	2.0
107.08608	22.7
108.08138	7.0
109.06528	3.7
109.08919	3.2
109.10181	9.0
109.10844	1.6
110.09690	7.7
112.07600	5.6
114.09196	2.7
117.06982	7.1
119.08596	13.4
120.08058	2.5
121.10130	8.9
122.09676	4.8
123.08055	5.0
123.11723	6.6
124.11239	17.1
130.88368	1.4
131.08588	6.7
133.10144	6.6
134.09711	2.3
135.11685	6.4
136.11192	7.3
143.08566	2.0
145.10144	5.7
147.11703	3.6
148.11227	1.9
149.13235	2.7
151.09651	4.3
151.11101	1.8
152.10745	7.4
152.14398	2.9
157.10178	2.1
159.11797	1.7
161.13261	4.1
162.12830	4.0
163.11221	1.8
164.14314	7.8
170.15427	3.0
171.11874	2.0
173.13310	1.8
179.17897	1.4
180.13924	5.3
184.16972	3.6
200.34929	1.6
206.15358	2.3
212.16472	22.6
212.20178	1.8
220.17020	6.4
232.17029	2.8
236.18430	1.8
238.18120	3.7
240.15894	2.6
240.23280	1.6
250.18048	2.1
252.19572	20.9
264.19641	2.4
280.19061	3.8
291.23215	2.9
292.22742	13.5
293.24802	1.7
315.23434	1.9
318.24283	1.9
332.25919	8.0
335.11627	1.7
350.26962	100.0
350.33957	42.2
351.27216	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46098	0.9
53.03949	1.1
55.01864	2.9
55.05519	6.0
56.96567	6.5
57.03426	2.2
67.05505	16.8
68.05029	1.1
69.03425	1.2
69.07059	3.7
70.06592	2.9
70.77575	0.9
71.08619	1.2
71.57010	1.7
79.05060	1.7
79.05494	16.1
80.05008	1.3
81.03412	2.2
81.07063	15.6
82.06573	1.6
83.08620	2.3
85.06540	1.8
91.05474	10.1
93.07039	10.9
94.06554	5.8
95.04948	2.6
95.08624	7.1
96.08135	11.1
97.06535	1.8
97.10167	1.1
97.39903	1.0
99.08076	1.1
105.07005	7.6
105.79781	1.0
106.06530	1.5
107.04956	6.4
107.08584	5.8
108.08105	1.9
109.03181	0.9
109.06499	1.6
109.10150	1.3
111.08084	1.3
112.07623	2.9
117.07027	2.9
118.06513	2.0
118.60345	0.9
119.08598	3.9
120.08125	7.1
121.10145	3.3
122.06013	4.8
123.08098	1.8
124.07613	1.0
129.07054	1.7
131.08568	3.7
133.08949	1.0
133.10263	4.5
134.09631	1.1
135.11697	4.2
136.06544	1.2
136.07584	22.3
138.09175	1.2
145.10135	3.0
146.09589	1.8
147.11688	3.0
148.07555	11.0
149.05981	1.0
149.08342	2.6
149.09503	1.6
149.13295	1.8
150.09119	1.5
153.02301	0.9
155.08661	1.0
157.10094	1.1
159.11723	1.8
161.13329	1.4
162.09116	1.9
163.11201	3.8
169.10207	1.1
171.11951	4.7
174.09187	2.5
179.14284	1.5
188.10748	1.1
206.33794	1.0
213.08139	1.6
213.16359	1.0
217.07498	1.2
222.15450	1.1
231.09081	1.7
252.09940	1.3
255.08931	1.3
256.09631	1.0
259.20590	2.3
267.08978	1.4
268.09473	1.9
269.10614	4.1
270.11087	5.2
272.20081	3.8
275.20084	1.3
276.20367	1.5
281.77332	1.1
282.18600	1.3
285.10126	1.4
286.10513	2.6
287.11786	1.9
291.19485	1.5
300.19574	24.7
304.22760	3.3
332.22195	100.0
350.17227	4.8
350.23740	2.7
351.25409	4.4
367.17480	1.2
368.18271	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	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	9.3
57.03422	3.6
57.07059	1.9
57.40581	1.1
59.04992	4.6
61.02913	4.4
61.27559	1.4
67.05502	10.8
69.03435	8.7
69.07076	6.2
69.56788	6.6
69.57211	2.2
70.06583	2.6
71.05006	10.1
71.60615	1.1
72.08141	1.4
79.05486	5.5
81.03405	4.5
81.07063	22.2
83.04966	4.2
83.08214	1.3
83.08629	13.4
84.08102	1.5
85.02909	38.7
86.09717	1.9
87.00810	3.8
87.04461	1.5
91.05486	8.7
93.07046	46.2
95.08608	53.6
97.02898	11.2
97.05936	1.6
97.06537	24.3
98.20753	1.9
98.97584	2.6
99.04453	4.1
101.09644	4.1
102.09181	5.7
103.72906	1.3
104.10755	1.2
105.01855	4.9
105.07043	5.5
107.08601	56.9
109.02850	4.0
109.06498	1.5
109.10159	40.4
111.08071	1.9
114.63947	1.1
115.03932	1.3
119.08573	2.6
123.11714	13.6
127.03928	11.1
133.10149	1.4
135.11697	100.0
137.05954	3.0
141.12726	3.4
144.08038	1.3
145.04976	9.9
153.12747	68.0
158.99640	1.3
163.06047	2.6
171.13814	48.0
173.04427	2.0
184.07353	2.1
188.07072	1.3
190.08511	1.3
194.77332	1.1
198.09697	4.0
211.15581	1.2
218.08022	1.9
231.04990	1.3
244.13268	1.2
259.11990	2.1
288.15900	16.0
306.17029	7.3
332.14844	1.6
332.18579	4.2
350.15762	3.3
350.19656	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.0
55.05504	10.5
57.03437	6.4
57.07074	7.0
65.10960	3.7
67.05499	9.2
67.58179	3.7
69.03423	16.1
69.07064	7.9
69.89161	12.0
69.89577	8.6
70.06586	13.5
71.04996	65.8
72.08155	10.8
73.02895	5.7
79.05472	15.7
81.03406	7.9
81.07057	100.0
81.59074	4.2
83.04986	5.3
84.08154	4.6
85.02916	43.3
85.06543	24.8
86.09718	21.8
91.04955	4.4
91.05479	12.7
93.07040	56.2
94.06597	4.3
95.08607	30.7
97.02876	13.2
97.06538	14.6
98.21450	5.7
98.97581	5.2
100.77857	4.4
105.07009	12.1
107.08575	39.3
109.10213	7.9
116.97785	3.8
117.51324	4.8
119.69377	3.5
120.08125	8.1
123.88528	3.8
127.03870	5.0
133.05045	4.6
135.11702	62.6
137.05959	7.1
137.13232	45.0
145.04959	23.5
147.06813	4.5
153.09103	6.6
153.12706	13.1
157.13356	11.5
163.06033	12.0
171.13757	5.5
184.07318	6.8
185.12874	5.0
224.16296	4.0
238.18050	5.8
248.98593	4.0
259.11880	4.9
281.22180	12.9
288.12970	7.8
288.15906	45.2
306.17035	13.2
332.14957	6.2
332.18201	7.8
332.21463	12.6
350.19540	25.4
350.22620	27.4
350.27618	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	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03942	0.4
55.01876	0.7
55.05516	3.7
57.07083	1.7
58.88670	0.3
66.63597	0.3
67.05514	3.9
69.07069	8.0
70.08313	1.1
71.04990	1.1
71.08625	0.5
79.05494	2.6
81.07059	6.7
83.04980	0.5
83.08621	2.9
85.06548	0.6
87.68076	0.4
91.05472	1.8
93.07053	4.6
95.04974	0.7
95.08604	5.5
97.06528	1.9
97.10146	1.1
99.08094	0.5
100.27850	0.4
105.07021	2.4
107.08614	4.0
109.05788	0.7
109.06519	9.2
109.10154	2.8
111.08108	1.2
118.36666	0.4
119.08586	3.4
121.06504	0.4
121.10155	2.7
122.07291	0.7
123.08073	51.6
123.11710	1.7
125.09610	0.4
132.27223	0.4
133.10138	2.5
135.08052	3.9
135.11710	1.6
137.09619	3.0
137.13255	0.8
145.10036	0.8
147.11679	1.7
149.09637	0.9
149.13271	1.4
159.11687	0.8
161.13234	1.0
165.12814	0.7
173.13269	0.7
177.12758	0.5
179.14317	17.6
191.26389	0.4
193.15799	0.6
218.34738	0.4
233.19029	0.5
275.20041	1.7
289.25189	0.7
293.17789	0.8
293.21103	14.4
294.21527	0.4
303.26852	0.6
307.22684	0.8
331.26355	2.9
340.48941	0.3
349.27380	100.0
350.27679	1.7
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
53.03946	0.9
55.01860	0.7
55.05515	4.5
57.03431	0.8
57.07075	1.8
59.56447	0.8
67.05519	3.7
69.07069	9.3
74.05772	0.6
79.05487	2.5
81.07062	6.9
81.66788	0.8
83.04968	0.8
83.08640	4.2
85.06499	0.9
91.05454	1.8
93.07043	4.0
95.04939	1.0
95.08614	7.4
97.06535	2.3
97.10164	1.7
98.20802	2.0
105.07008	2.4
107.08605	5.4
109.06528	8.2
109.10137	2.5
111.08137	1.8
115.46312	0.8
119.08604	4.2
121.10144	3.2
123.08075	54.0
123.11704	1.9
133.10117	2.3
135.08060	5.0
135.11684	1.3
137.09645	2.8
142.23257	0.8
145.10141	1.7
147.11682	2.2
149.09654	1.3
149.13263	2.5
151.11162	0.7
159.11646	1.0
161.13243	1.2
161.65608	0.8
179.14273	5.6
211.36867	0.8
268.36258	0.7
275.20145	1.8
286.91010	0.8
289.25275	0.9
293.21112	15.3
307.22653	1.3
331.26233	2.8
349.27390	100.0
350.27606	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.4
55.01859	4.0
55.05516	18.0
56.67944	2.2
57.07083	5.5
64.53609	2.8
65.03931	3.5
67.05505	31.4
69.03424	3.7
69.07075	20.9
70.68218	5.5
71.04991	6.6
79.05497	32.1
81.07058	51.8
82.29338	2.5
83.04987	4.0
83.08592	6.0
91.05482	47.5
93.06472	5.0
93.07044	72.4
93.37541	2.8
95.04973	29.6
95.08613	33.2
97.06515	16.2
103.05482	4.2
103.84668	2.3
105.04546	2.4
105.07030	100.0
107.08596	49.9
109.06518	11.3
109.10151	41.9
111.08077	4.5
115.05437	4.1
115.74839	2.3
116.06242	2.9
117.07034	16.3
119.08587	85.4
120.09383	2.8
121.06493	7.6
121.10146	78.0
121.11036	3.8
123.08094	16.1
123.11697	9.7
128.06221	10.2
129.07001	14.9
130.07820	6.5
131.08574	51.8
132.09418	2.6
133.10132	50.8
135.08080	11.8
135.11688	20.6
137.09584	2.5
141.07018	6.9
142.07784	13.7
143.08582	31.6
144.09320	6.8
145.10124	56.0
146.07323	2.5
147.08011	5.7
147.11674	20.0
149.09612	10.7
155.08549	10.8
156.09346	6.2
157.10130	38.4
158.10896	5.1
159.08052	4.1
159.11725	21.9
161.09630	23.5
161.13234	5.0
165.06955	2.8
167.08611	6.2
168.09328	3.8
169.10088	21.8
169.24455	2.9
170.10899	3.8
171.11740	21.0
173.09500	3.6
173.13271	16.0
175.11205	4.4
175.14854	13.1
179.08592	8.0
179.14293	18.8
181.10117	9.5
182.10864	4.1
183.11667	11.9
184.12422	5.5
185.09662	3.3
185.13268	10.7
187.14854	23.8
189.12709	5.5
193.10118	5.3
194.10876	6.9
195.11720	10.9
196.12549	3.4
197.13268	9.4
199.14827	10.2
201.16449	5.2
207.11743	4.7
209.13275	18.6
211.14803	7.4
213.12720	3.3
213.16356	5.7
221.13351	5.6
223.14906	7.1
225.16264	4.6
227.14308	8.2
235.14693	2.7
237.16426	4.0
239.14214	2.8
239.17955	6.8
251.17871	3.9
253.19492	5.0
255.17545	2.6
261.16434	3.0
265.19409	2.9
281.43109	2.6
289.21384	2.7
293.18896	3.8
298.40594	2.3
331.24197	3.3
349.24277	23.1
349.27438	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	349.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.4
55.01859	4.0
55.05516	18.0
56.67944	2.2
57.07083	5.5
64.53609	2.8
65.03931	3.5
67.05505	31.4
69.03424	3.7
69.07075	20.9
70.68218	5.5
71.04991	6.6
79.05497	32.1
81.07058	51.8
82.29338	2.5
83.04987	4.0
83.08592	6.0
91.05482	47.5
93.06472	5.0
93.07044	72.4
93.37541	2.8
95.04973	29.6
95.08613	33.2
97.06515	16.2
103.05482	4.2
103.84668	2.3
105.04546	2.4
105.07030	100.0
107.08596	49.9
109.06518	11.3
109.10151	41.9
111.08077	4.5
115.05437	4.1
115.74839	2.3
116.06242	2.9
117.07034	16.3
119.08587	85.4
120.09383	2.8
121.06493	7.6
121.10146	78.0
121.11036	3.8
123.08094	16.1
123.11697	9.7
128.06221	10.2
129.07001	14.9
130.07820	6.5
131.08574	51.8
132.09418	2.6
133.10132	50.8
135.08080	11.8
135.11688	20.6
137.09584	2.5
141.07018	6.9
142.07784	13.7
143.08582	31.6
144.09320	6.8
145.10124	56.0
146.07323	2.5
147.08011	5.7
147.11674	20.0
149.09612	10.7
155.08549	10.8
156.09346	6.2
157.10130	38.4
158.10896	5.1
159.08052	4.1
159.11725	21.9
161.09630	23.5
161.13234	5.0
165.06955	2.8
167.08611	6.2
168.09328	3.8
169.10088	21.8
169.24455	2.9
170.10899	3.8
171.11740	21.0
173.09500	3.6
173.13271	16.0
175.11205	4.4
175.14854	13.1
179.08592	8.0
179.14293	18.8
181.10117	9.5
182.10864	4.1
183.11667	11.9
184.12422	5.5
185.09662	3.3
185.13268	10.7
187.14854	23.8
189.12709	5.5
193.10118	5.3
194.10876	6.9
195.11720	10.9
196.12549	3.4
197.13268	9.4
199.14827	10.2
201.16449	5.2
207.11743	4.7
209.13275	18.6
211.14803	7.4
213.12720	3.3
213.16356	5.7
221.13351	5.6
223.14906	7.1
225.16264	4.6
227.14308	8.2
235.14693	2.7
237.16426	4.0
239.14214	2.8
239.17955	6.8
251.17871	3.9
253.19492	5.0
255.17545	2.6
261.16434	3.0
265.19409	2.9
281.43109	2.6
289.21384	2.7
293.18896	3.8
298.40594	2.3
331.24197	3.3
349.24277	23.1
349.27438	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	349.2371
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03937	5.3
54.06927	2.0
55.01874	17.4
55.05277	2.5
55.05515	36.5
57.03440	22.9
57.73417	2.4
61.61041	2.2
65.03927	5.1
65.61531	2.0
67.05504	56.1
69.03414	2.7
69.06728	3.3
69.07068	44.6
71.04967	3.1
72.74975	2.2
77.03894	2.4
79.05493	88.3
81.03413	7.2
81.07056	50.4
83.04962	7.3
83.08607	12.1
85.06530	3.5
89.83608	2.3
91.05479	57.3
93.07051	48.3
95.04958	7.9
95.08619	27.7
97.06541	19.0
97.10193	11.5
100.24624	2.6
103.05455	3.3
105.06316	2.3
105.07032	78.2
107.04964	24.6
107.08598	83.4
109.06502	6.6
109.10143	14.2
111.08072	3.2
117.07014	21.5
119.06064	2.4
119.08579	38.2
121.06538	5.5
121.10147	16.4
123.08050	6.7
123.11755	3.3
125.09650	16.7
129.06999	7.4
131.08575	30.5
133.10138	38.1
135.08025	7.0
135.11700	14.1
137.09586	2.9
141.06998	4.0
143.08536	11.8
145.10132	74.2
147.11697	34.4
149.09625	24.5
149.13229	5.2
155.08582	5.4
157.10100	6.7
159.11687	30.8
161.13257	8.6
163.11180	12.2
169.10124	7.7
171.10268	4.5
171.11687	14.8
173.13248	9.7
175.14757	2.8
177.12758	5.6
179.14249	5.7
183.11658	9.2
185.13252	3.0
187.11145	5.0
189.11267	9.5
197.13235	8.4
203.53465	2.2
205.12306	3.0
229.19479	5.6
239.17978	14.5
247.20613	3.4
250.19191	2.6
257.19000	53.4
275.16986	2.6
275.20065	73.1
331.22711	6.5
349.20062	6.4
349.23737	100.0
350.24185	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43897	1.2
51.35234	1.1
53.03745	1.3
53.03949	13.7
55.01870	21.4
55.05267	2.4
55.05514	32.4
56.96566	7.8
57.03438	24.6
57.07087	1.6
59.44093	1.1
65.03936	4.9
67.05507	78.2
69.03407	4.5
69.07069	67.0
69.28426	2.6
69.28830	10.2
71.04979	4.4
71.16106	1.6
77.03915	2.2
79.05494	80.9
81.03420	35.6
81.07060	96.6
82.07314	1.2
83.04987	19.5
83.08626	17.9
83.63203	1.3
85.02903	2.4
85.06528	4.3
91.05484	89.4
93.07047	81.8
94.07370	1.5
95.00764	1.9
95.01337	26.3
95.04970	23.7
95.08612	58.6
97.02890	1.5
97.06532	33.5
97.10141	7.9
98.97549	1.8
99.08082	2.3
103.05486	3.3
105.04548	2.1
105.07034	100.0
107.04957	47.2
107.08598	42.6
109.06505	8.9
109.10156	18.9
111.08060	5.4
113.09680	2.2
115.05447	3.8
117.06223	2.2
117.07024	28.9
119.04921	3.2
119.08585	53.2
121.06513	7.8
121.10146	20.0
123.04431	3.6
123.08104	8.3
123.11716	3.1
125.09626	5.2
129.06990	6.7
131.08577	37.9
133.06459	3.0
133.10129	65.0
135.08078	7.2
135.11690	17.2
137.05983	11.4
137.09659	6.4
139.07498	2.0
139.11171	1.4
141.06964	4.2
143.08551	5.6
145.06493	9.1
145.10129	31.3
147.04425	1.8
147.08012	1.9
147.11696	29.1
149.05969	1.4
149.09624	23.7
149.13268	13.2
151.11211	3.3
153.09081	1.5
154.07805	1.4
155.08580	3.1
157.10168	7.9
159.08028	4.0
159.11693	29.3
161.05977	1.7
161.09575	1.5
161.13266	11.7
163.11180	8.0
163.14781	2.2
165.09129	2.8
167.12532	3.7
169.10173	6.5
171.11682	5.2
173.11879	1.4
173.13228	7.8
175.11165	3.2
175.14774	2.4
177.12770	10.0
179.14320	29.7
183.11697	4.0
185.13327	1.4
187.07538	1.9
187.11165	9.4
187.14813	1.9
189.16402	2.6
191.14392	1.3
193.12325	2.7
195.13791	2.1
197.13235	4.0
201.12863	2.0
205.12262	4.9
209.15326	1.6
215.17889	2.4
219.13777	1.5
219.17398	2.0
223.13318	2.8
229.07562	2.5
229.19557	3.8
239.17952	5.3
241.14294	2.8
243.09056	2.2
247.20671	4.9
257.19009	14.7
259.20618	3.8
275.20071	91.7
276.20499	1.7
277.21671	3.7
293.21234	2.6
331.15991	7.4
349.17249	12.8
349.23749	77.4
350.24072	1.6
351.25299	2.7
367.18018	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	13.7
55.01875	16.0
55.05516	29.7
56.96548	5.4
57.03187	3.3
57.03436	37.7
57.07092	2.5
65.03926	4.0
65.98574	1.9
67.05506	73.8
69.03431	4.5
69.07069	58.1
70.56654	4.5
70.57021	4.4
71.04972	4.6
72.97114	2.4
79.05493	75.9
81.03417	23.2
81.06587	4.8
81.07057	89.6
83.04999	13.8
83.08619	16.2
85.06535	8.2
90.22960	2.0
91.05480	80.4
93.07045	71.5
95.01345	10.3
95.04984	15.4
95.08614	56.2
97.06526	24.2
97.10141	5.9
98.18841	2.2
98.21121	4.7
99.04440	4.9
99.08141	2.1
103.05494	2.5
105.04536	2.2
105.07029	83.9
107.04948	26.1
107.08591	32.4
107.97607	2.1
109.06519	15.7
109.10137	17.7
111.08058	6.3
115.05491	2.0
117.07021	31.6
119.08585	52.9
121.06507	7.7
121.10163	21.5
123.08091	12.9
123.11682	6.2
125.09585	4.8
128.06256	3.0
129.07004	8.4
131.08565	43.8
133.10133	47.0
135.08026	6.9
135.11667	20.5
137.05959	4.3
137.09608	6.7
141.06985	3.4
143.08572	8.1
145.06438	3.2
145.10107	37.6
147.08154	2.8
147.11676	30.6
149.09618	18.5
149.13237	9.0
151.11168	2.7
155.08583	4.7
157.10139	8.8
159.11697	31.0
161.09583	4.2
161.13284	11.6
163.11150	9.1
165.09149	3.4
165.12730	3.4
167.12567	2.8
169.10127	9.2
171.11687	4.5
173.13258	13.2
175.11163	2.7
175.14864	2.9
177.12735	9.8
179.14294	15.7
183.11697	8.5
185.13297	4.4
187.11218	5.0
193.12236	2.5
197.13199	6.1
201.12885	2.5
201.16199	2.9
211.14684	2.7
219.17453	51.2
221.15543	2.3
229.19511	7.1
239.17915	7.7
257.18927	24.0
263.46936	2.3
275.20078	78.4
331.15872	5.7
349.16519	10.1
349.19946	6.4
349.23712	100.0
367.17953	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.9
52.62081	1.7
53.03948	17.3
55.01875	22.9
55.05275	2.2
55.05514	40.6
56.96578	9.5
57.03196	2.4
57.03439	30.1
57.07064	3.6
64.80887	2.0
65.03909	6.0
65.06886	1.6
67.05505	82.9
69.03421	5.5
69.07070	68.7
70.14553	2.1
70.61321	5.5
71.04965	4.1
72.77317	2.1
77.03915	2.5
79.05495	83.6
81.03423	29.6
81.07058	93.9
83.04986	21.6
83.08615	12.5
84.13017	1.7
85.02892	3.3
85.06525	4.5
91.05485	76.8
93.06477	3.7
93.07046	75.2
95.00844	1.9
95.01340	18.4
95.04968	21.5
95.08609	55.9
97.02856	3.4
97.05932	2.4
97.06533	32.4
97.10178	11.3
98.21458	2.1
98.97593	2.1
99.08079	4.8
103.05445	2.3
105.04515	2.4
105.07034	90.4
106.13326	2.0
106.64049	1.9
107.04954	43.2
107.08593	55.3
109.06542	13.0
109.10171	13.3
111.08056	6.2
113.09590	2.1
115.05463	2.2
117.07021	24.5
119.08577	56.3
121.06486	8.6
121.10132	20.0
123.04427	3.5
123.08072	7.7
123.11680	4.0
125.09600	7.4
129.06984	7.4
131.08562	38.4
133.06474	3.5
133.10136	57.0
135.08046	10.7
135.11700	13.6
137.06032	3.1
137.09595	4.9
141.06982	4.5
143.08537	6.6
145.06479	5.2
145.10112	37.6
147.11690	32.2
149.09618	28.0
149.13280	14.3
151.11179	4.8
155.08591	3.4
157.10089	6.3
159.08055	4.1
159.11679	24.9
161.09573	3.4
161.13231	8.8
163.11157	6.6
163.14828	2.4
169.10139	5.8
171.11687	8.3
173.11890	2.4
173.13234	8.5
175.11130	2.4
177.12714	7.2
179.14310	22.0
183.11714	6.3
185.04866	2.6
185.13280	2.0
187.11171	8.1
187.14769	2.6
189.11172	4.0
189.12737	2.0
195.13750	2.3
197.13284	6.7
201.12790	3.3
205.12152	2.2
209.15474	2.9
215.14320	2.2
219.17413	2.7
229.19463	4.4
239.18086	9.3
247.20544	6.6
255.09013	2.2
257.18985	19.6
268.63370	2.1
275.20062	100.0
293.21042	5.5
331.15781	8.0
331.22632	3.1
332.57477	2.0
349.16248	13.7
349.19943	10.2
349.23694	83.3
367.17987	15.9
368.18036	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	19.7
55.01874	17.3
55.05512	27.8
56.96553	2.0
57.03439	21.0
60.21541	1.5
61.90592	1.8
65.03931	4.1
67.05505	61.3
69.03427	2.1
69.07067	67.2
71.04974	2.2
71.08039	3.3
73.72762	1.5
73.97378	1.5
79.05064	3.5
79.05496	54.1
81.03421	36.4
81.07059	88.1
83.04987	13.6
83.08614	12.4
85.06544	3.1
89.50721	1.9
91.05485	74.6
93.07047	53.2
94.62563	1.8
95.00761	2.8
95.01333	32.1
95.04971	21.0
95.08611	63.6
96.19183	2.1
97.06527	29.6
97.10167	5.3
99.04465	1.8
99.08086	2.5
103.05483	2.6
105.07031	100.0
105.46294	1.7
107.04959	46.1
107.08593	31.0
109.06524	6.3
109.10140	14.4
111.04460	2.0
111.08066	3.5
113.09670	2.3
115.05419	1.9
117.07022	25.6
119.04950	2.8
119.08578	50.3
121.06516	5.3
121.10154	11.7
123.04441	5.1
123.08094	13.4
123.11687	2.0
125.09636	4.0
129.06999	4.0
130.07773	1.9
131.08578	36.2
133.06451	3.3
133.10130	58.2
135.08081	5.8
135.11694	13.1
137.09653	2.9
141.07021	2.5
142.07738	2.0
143.08559	4.2
145.06519	7.1
145.10123	22.4
147.11685	24.3
149.09656	11.8
149.13252	8.5
157.10135	6.9
159.08049	3.2
159.11694	20.8
161.09560	2.3
161.13278	7.7
163.11180	7.3
165.09105	2.5
169.10112	5.8
171.11717	4.8
173.13280	6.4
175.14754	1.7
177.12770	11.9
179.14310	31.9
183.11676	2.9
185.13228	1.8
187.11186	9.8
187.14790	2.7
192.91768	1.7
195.13849	2.5
197.13278	3.6
205.12346	3.4
223.13249	2.6
229.19498	3.1
239.17813	3.4
241.14357	1.7
247.20604	3.9
253.10384	1.8
257.19043	13.0
275.20068	85.9
315.42691	1.6
318.20184	1.9
349.16449	2.0
349.19815	24.6
349.23761	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01876	11.1
55.05511	23.7
57.03441	14.7
63.35250	1.5
65.03932	3.5
67.05185	2.9
67.05510	44.6
69.06719	2.5
69.07066	30.2
69.28606	12.7
71.04984	2.8
75.04466	1.5
75.80323	1.5
79.05070	2.6
79.05500	45.6
81.03391	2.1
81.07063	39.8
83.04990	4.4
83.08627	9.3
85.06540	2.3
91.05486	49.4
91.08349	1.7
93.07045	36.9
95.04948	6.6
95.08614	28.0
97.06554	12.9
97.10163	7.0
105.07040	58.6
107.04945	11.0
107.08595	39.1
109.06535	3.9
109.10165	13.3
111.08065	4.5
117.06995	18.9
119.08586	36.1
121.06507	4.7
121.09291	2.2
121.10136	13.8
123.08060	4.9
123.11700	3.7
125.09626	7.5
128.21317	1.5
129.07002	5.2
130.07784	4.0
131.08572	31.5
132.09155	1.7
133.10146	35.5
135.08026	5.5
135.11708	8.8
137.09688	2.5
141.07018	2.8
143.08582	10.4
145.10130	75.9
147.11699	29.6
149.09633	16.0
149.13257	3.3
151.11197	2.2
155.08517	3.9
157.10123	7.7
158.54646	1.6
159.11707	23.5
161.09633	2.2
161.13275	9.0
163.11172	9.2
164.18565	1.7
165.12698	2.4
169.10143	4.5
169.39046	1.7
171.10332	3.2
171.11688	11.1
173.13242	8.6
175.11191	2.8
177.12732	3.9
179.14362	3.9
183.11658	8.0
185.13249	5.7
187.11151	2.4
189.11211	3.7
189.12802	2.1
197.13199	4.0
201.12614	1.9
215.17889	1.9
219.17528	1.8
222.07190	1.7
229.19493	4.3
239.17950	18.3
247.20663	4.5
247.24393	1.8
255.91008	1.9
257.19009	55.6
275.20078	50.5
293.21161	2.8
331.22614	5.3
333.29050	2.0
335.35330	1.8
344.79044	1.8
349.20044	5.6
349.23730	100.0
350.24258	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.5
55.01870	9.9
55.05264	1.6
55.05513	22.1
57.03445	12.9
57.07072	1.3
62.69584	1.3
65.03940	2.1
65.88006	1.1
67.05507	38.4
69.03430	1.8
69.06724	2.1
69.07071	29.0
71.04981	2.6
71.44489	1.6
79.05493	43.5
81.03431	3.4
81.07060	38.5
83.04970	4.1
83.08647	7.4
84.95047	1.1
85.06557	2.1
91.05488	35.1
93.07051	31.7
95.01328	2.0
95.04978	4.6
95.08611	26.8
97.06541	14.9
97.10150	3.7
99.16384	1.2
103.05479	2.6
105.07036	44.7
107.04958	9.3
107.08599	35.8
109.06503	5.1
109.10161	12.8
111.08068	3.8
115.05438	2.1
117.07012	16.2
119.06047	1.1
119.08590	27.0
121.06490	4.4
121.10132	11.3
123.08087	4.7
123.11702	2.1
125.09628	5.9
128.06250	1.9
128.98892	1.1
129.07004	5.2
130.07841	2.1
131.08574	29.6
133.10143	28.4
135.08075	3.6
135.11693	11.4
137.09639	2.9
141.06981	2.9
142.07680	1.2
143.08591	7.7
145.10132	73.2
147.08121	1.3
147.11702	24.5
149.09647	10.9
149.13257	5.0
151.11115	1.3
155.08554	2.7
157.10120	8.2
159.11685	19.0
161.09590	2.1
161.13240	6.7
163.11201	6.8
163.14824	1.4
169.10149	6.8
171.11699	11.0
173.09616	1.6
173.13266	10.6
175.11157	1.6
177.12688	4.2
179.14313	2.5
179.29201	1.4
183.11716	7.8
185.13347	1.6
187.11197	3.0
187.14803	2.5
189.11241	2.9
197.13275	5.4
213.16383	1.3
215.17844	1.9
229.19487	4.2
239.17941	15.1
247.20461	5.9
257.19006	50.2
265.21735	1.6
275.20071	46.0
286.31351	1.4
293.20953	1.4
320.70160	1.4
331.22607	4.7
349.19760	18.4
349.23697	100.0
350.24088	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03940	5.9
55.01873	14.2
55.05265	2.5
55.05512	31.8
55.16966	1.4
57.03442	16.2
65.03941	1.9
67.05505	47.4
67.23002	1.5
69.06723	2.5
69.07071	34.7
69.26513	14.0
69.26822	2.8
71.04990	3.5
75.69380	1.4
77.03900	1.4
79.05494	65.8
81.03402	4.2
81.07058	43.1
83.04990	8.4
83.08629	10.4
85.06550	2.0
91.05482	52.5
93.07047	40.3
95.01310	2.7
95.04972	9.2
95.08605	30.6
96.53071	1.4
97.06532	17.4
97.10169	9.4
102.55841	1.3
103.05447	2.1
105.06309	1.9
105.07031	60.7
107.04955	20.2
107.08595	60.8
109.06517	6.0
109.10156	13.6
111.08053	3.2
117.07010	18.8
119.08582	35.4
121.06515	2.9
121.10153	14.5
123.08035	3.7
123.11632	2.1
125.09617	8.3
128.06189	1.7
129.07002	5.2
131.08569	28.0
133.10132	38.6
135.08049	4.2
135.11682	10.3
137.09618	3.1
141.07013	1.9
143.08559	7.0
145.10127	56.3
147.11700	27.3
149.09624	15.8
149.13232	4.7
151.11192	1.8
155.08553	3.3
157.10176	4.4
159.08034	2.6
159.11688	22.3
161.09599	3.3
161.13252	7.0
163.10040	1.4
163.11183	9.8
165.12761	1.7
169.10118	4.7
171.10333	2.1
171.11716	6.9
173.09639	2.1
173.11885	2.1
173.13199	8.6
177.12767	4.5
179.14316	6.4
183.11673	7.6
185.13228	3.2
187.06506	1.6
187.11220	3.5
189.11179	9.4
197.13240	4.1
211.14732	1.5
229.19460	3.8
239.17961	13.5
247.20587	4.0
257.18997	42.6
275.20059	70.2
293.20978	1.8
297.03207	1.4
331.22589	7.2
349.19766	31.8
349.23730	100.0
350.23941	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36613	0.4
55.05519	1.9
67.05507	2.1
69.07053	1.3
69.20122	3.4
79.05495	2.3
81.07053	2.5
83.08614	0.8
91.04971	0.5
91.05482	4.4
93.07087	2.3
95.04934	0.6
95.08574	1.6
97.10135	0.6
105.07038	5.9
107.08580	1.1
109.10152	0.8
110.05988	0.5
117.07001	1.1
119.08580	2.9
121.10139	0.9
123.11764	0.5
125.09563	0.5
131.08533	1.5
133.10144	3.9
135.08008	0.4
145.10144	2.0
147.11646	1.1
149.09570	0.5
149.80588	0.3
157.10126	0.8
159.11671	1.1
160.11967	0.3
161.13313	0.9
167.55190	0.5
167.59657	0.4
171.11655	0.5
173.13199	0.5
179.14334	0.4
184.03215	0.5
188.85855	0.4
221.75909	0.4
250.44942	0.4
253.07030	0.4
257.19067	0.8
275.20013	1.2
289.21695	5.5
290.21976	1.8
318.73117	0.4
349.23422	100.0
350.23666	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57417	0.3
60.03811	0.4
63.84459	0.3
71.17137	0.7
78.87386	0.4
79.05494	0.7
88.11268	0.7
89.09061	0.3
93.07065	0.6
107.04959	0.5
119.08549	0.4
175.29286	0.4
179.14308	0.5
235.13098	0.9
236.16466	0.5
237.16696	0.6
238.60020	0.4
247.12346	0.4
248.98865	0.4
249.14645	0.8
349.23520	100.0
350.23825	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84106	3.0
98.21429	0.8
114.91009	0.6
142.24866	0.6
322.11978	0.6
337.66559	0.6
349.23505	100.0
350.23907	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	0.3
62.05164	0.3
67.05492	0.5
69.07073	0.4
69.96353	1.4
74.84033	0.2
79.05472	0.5
81.07047	0.6
95.08613	0.6
100.49560	0.3
105.07006	0.4
123.08084	0.4
148.57361	0.3
179.14381	0.6
229.28253	0.3
235.13185	0.4
249.14587	0.7
269.15427	0.4
348.67551	0.9
349.23499	100.0
350.23840	1.6
369.68240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01869	1.8
55.05513	2.7
57.03181	0.5
57.03432	2.5
57.49443	0.5
61.78102	0.5
65.03944	0.6
67.05505	8.3
69.07066	5.9
69.58727	4.0
71.05006	0.9
74.43801	0.5
75.04453	0.5
79.05504	8.1
81.07059	10.6
83.04945	0.7
83.08628	1.0
91.05487	9.4
93.07046	8.0
95.04977	1.6
95.08604	6.3
97.06520	3.6
97.10175	0.7
98.20793	1.1
103.05462	0.7
103.08525	0.5
105.07022	11.4
107.04959	1.9
107.08582	6.0
109.06539	1.4
109.10178	2.4
111.08109	0.9
112.87105	0.6
115.05466	0.7
117.06984	3.2
119.08597	7.1
120.21961	0.5
121.06509	0.8
121.10158	3.1
123.08060	0.9
123.11721	0.7
125.09612	0.7
129.07004	1.1
130.07869	0.6
131.08575	6.2
133.10124	6.8
135.08075	0.7
135.11717	2.1
137.05766	1.6
138.09155	0.6
143.08580	0.8
145.10120	6.3
147.07986	0.7
147.11690	4.0
149.09636	1.9
151.06226	0.6
157.10117	1.4
159.11699	3.4
161.09641	0.5
161.13268	1.4
163.11198	1.4
165.12779	0.6
169.10196	1.2
169.17252	0.5
170.05824	0.5
171.11754	1.4
173.13252	2.7
175.11235	0.5
177.12857	0.8
179.14339	0.9
183.11769	1.1
187.14903	0.7
189.12758	0.6
197.13275	1.1
221.11726	0.6
229.19679	1.1
239.18045	2.0
247.20634	0.6
253.12778	1.0
257.19046	5.3
275.20062	8.8
275.22742	0.8
291.73593	0.5
349.19907	100.0
349.23819	19.6
350.20248	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05869	0.5
53.03938	0.7
55.01858	1.7
55.05517	4.7
56.96528	0.6
57.03436	3.5
67.05504	10.2
69.07072	5.8
69.53936	3.8
71.04987	0.8
71.82803	0.6
79.05492	11.1
81.03423	1.4
81.07057	13.3
83.04976	1.0
83.08607	1.6
85.06547	0.6
91.05482	10.0
93.07051	9.6
95.04962	1.4
95.08608	8.1
97.06533	2.3
97.10172	0.6
105.07031	9.0
107.04958	1.3
107.08588	6.6
109.06523	2.1
109.10144	2.9
113.00029	1.1
117.07011	4.7
119.08584	8.1
121.06544	0.8
121.10115	2.9
123.08073	0.6
123.11688	1.0
129.07022	1.4
131.08578	6.9
133.10115	5.5
135.08119	0.9
135.11722	2.9
137.05748	2.0
143.08588	1.6
145.10126	6.6
147.11682	3.8
149.09618	2.7
149.13260	0.9
155.08543	0.8
157.10144	1.7
159.11703	4.3
161.03629	0.6
161.13261	1.9
163.11234	1.4
169.02664	0.9
171.11694	0.8
173.13252	2.9
183.11700	1.3
192.25072	0.6
196.56660	0.8
197.13298	0.8
221.11504	2.3
224.38617	0.6
229.19579	1.4
235.13045	0.9
239.17955	2.1
247.20598	1.1
257.18939	4.2
264.92389	0.6
275.20010	8.6
313.94098	0.6
331.22849	0.6
349.19919	100.0
349.23831	22.8
350.20184	0.8
350.23978	0.7
367.18271	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1776
Annotation	Funebrine
Peak:m/z	Relative Intensity
53.03928	2.2
55.01855	4.5
55.05501	5.2
56.96570	28.5
57.03437	4.0
57.07061	1.2
57.11457	1.1
63.61010	1.0
64.97778	1.1
67.05514	11.1
69.06788	1.2
69.07076	14.3
70.00718	3.4
70.01127	2.5
71.95252	3.7
72.96030	1.4
79.05499	14.7
81.03396	3.6
81.07067	15.4
83.08611	2.4
84.96047	2.2
91.05489	13.5
91.47676	1.1
93.07047	10.7
95.04956	2.7
95.08616	7.7
97.06559	5.4
97.10194	1.3
98.20876	1.6
98.97562	3.1
105.07037	12.9
107.04975	5.8
107.08604	9.0
109.06482	2.1
109.10173	3.1
110.97591	11.1
116.98628	1.9
117.07011	3.4
119.08585	7.1
121.10133	4.3
123.01197	1.5
123.08047	1.7
128.98621	8.6
129.07005	1.7
131.00124	1.2
131.08591	5.4
133.10100	6.1
135.11667	3.7
137.06003	3.8
137.09602	1.6
139.00717	1.2
143.00218	1.6
143.08598	1.3
145.10136	4.9
146.99644	2.7
147.11685	4.1
149.09622	1.6
149.13177	1.7
151.00658	1.7
153.02209	2.3
157.01671	1.3
159.11700	4.9
160.03931	1.3
161.01259	1.2
161.13283	1.7
163.11226	1.5
167.03836	1.4
167.12500	1.8
169.01768	1.9
171.03268	3.6
171.11592	1.4
173.04828	3.0
173.13232	1.8
175.11235	1.1
179.14250	2.7
181.05289	1.6
185.04854	5.0
185.16148	1.2
189.04329	1.4
199.06387	9.6
203.05869	1.8
205.01761	2.7
205.07484	5.3
211.06392	4.1
217.07401	5.9
223.02858	2.5
223.08479	1.7
225.07877	2.4
229.19525	1.6
233.08377	1.5
235.06418	1.6
237.04243	2.0
237.07950	5.4
239.09497	1.7
239.17911	2.0
243.09152	5.6
247.20631	2.1
251.09544	4.4
253.11075	2.5
255.09053	24.6
257.19019	4.1
262.08722	1.3
273.10141	7.7
275.20078	13.3
277.11099	2.7
280.09796	3.9
281.10510	2.8
303.16245	2.8
315.76416	1.3
321.17361	1.3
323.54480	1.3
331.15793	54.6
331.19781	2.6
349.16867	100.0
349.23291	19.3
350.17154	2.2
367.13663	1.9
367.17969	23.6
372.18246	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	349.1756
Annotation	Funebrine
Peak:m/z	Relative Intensity
56.96469	2.2
57.03353	2.2
57.03609	1.0
68.71865	0.6
69.03326	1.8
69.07000	0.8
70.06061	2.3
70.06481	58.1
70.07127	2.0
70.35275	1.9
70.51859	0.6
73.02832	0.6
82.11182	0.6
84.04388	1.0
84.08034	1.0
85.02781	6.5
86.09626	1.1
87.09927	0.7
88.03912	0.6
93.06980	0.7
95.39620	0.6
97.02757	2.4
98.97463	3.5
105.06863	0.6
109.02802	0.8
110.05948	1.1
110.97458	1.0
113.00774	0.7
116.98536	1.7
122.05898	2.5
126.05399	0.9
127.03788	1.9
128.98552	1.3
129.06975	0.6
131.01776	1.6
136.07562	3.9
137.05814	1.0
138.05386	0.8
140.06929	2.5
143.01764	0.8
144.06505	1.4
145.03424	0.7
145.06590	0.6
146.05881	1.1
152.98709	0.6
155.01793	1.1
158.99583	0.9
160.07565	7.2
162.09070	1.1
163.07472	1.2
172.07552	0.9
173.05891	0.9
174.09052	0.7
175.07487	0.7
177.04065	0.9
177.05502	0.9
178.08557	0.9
185.08307	1.1
186.09081	1.1
187.08035	1.7
188.07031	1.1
188.10654	1.8
189.08780	0.9
190.08769	1.9
191.06906	1.8
192.10175	7.1
193.07025	0.7
199.08157	3.1
200.10753	3.1
202.08603	1.1
205.09055	0.7
206.11639	0.7
214.08511	0.9
214.12149	1.0
216.10172	6.6
218.08263	2.1
218.11761	13.9
219.01665	2.3
219.06494	1.4
221.04935	0.8
223.71545	0.6
234.11267	11.1
237.02809	1.8
242.11641	1.1
244.09578	1.6
246.11256	0.8
257.12827	0.9
260.12860	4.6
261.02820	0.9
262.10748	22.0
262.13516	1.2
264.89508	0.6
267.14835	1.0
267.58200	1.0
270.11258	1.2
275.13657	0.9
285.15878	2.5
288.12308	15.6
289.11325	4.9
303.16745	1.0
306.13376	2.8
306.47025	0.7
307.12512	3.4
313.15439	3.0
331.16519	100.0
332.17044	0.9
348.98883	0.9
349.09155	2.7
349.14163	2.1
349.17606	38.6
349.21021	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01876	0.8
55.05509	2.4
56.96566	23.3
57.03435	1.3
65.03941	0.4
67.05505	3.9
69.07069	9.0
71.05000	0.4
71.57046	0.6
71.95269	3.6
72.96054	1.4
74.97633	0.7
77.81549	0.4
79.05489	7.1
81.03437	1.3
81.07059	3.4
83.04996	0.4
83.08620	2.9
84.96037	1.5
91.05482	3.7
93.07047	3.1
95.04958	1.9
95.08622	2.3
97.06561	1.5
97.10146	0.5
97.96837	1.6
98.97573	2.4
99.40677	0.4
99.69499	0.4
103.00726	0.6
105.00166	1.0
105.07058	3.1
107.04967	1.8
107.08608	2.2
109.06511	0.8
109.10112	0.8
110.97564	8.5
111.08089	0.5
115.00693	0.6
115.97861	0.6
116.98627	1.9
117.07027	1.2
119.01717	0.5
119.08566	1.9
121.10172	0.9
123.01237	0.8
123.08067	0.4
124.99089	0.7
127.00763	0.4
128.98611	7.4
129.02203	0.4
129.06972	0.4
131.00163	0.9
131.08589	1.4
132.99609	0.4
133.10141	1.5
134.99632	0.5
135.08026	0.5
135.11726	0.9
137.02760	0.9
137.06004	0.8
139.00677	1.0
140.98476	0.4
141.02281	0.5
143.00195	1.1
143.08537	0.5
145.10059	1.8
146.99666	3.1
147.11703	0.9
149.02661	0.5
149.09627	0.7
149.13344	0.4
151.00722	0.9
151.04401	0.4
151.11255	0.5
152.00195	0.5
153.02263	1.6
155.00107	0.8
155.03825	1.6
157.01735	0.9
157.10196	0.5
159.03308	0.7
159.08025	0.4
159.11705	0.6
161.01207	1.2
161.13234	0.5
163.11223	0.7
165.02220	0.9
165.12718	0.4
167.00108	0.5
167.03888	0.8
169.01730	1.3
169.05415	1.0
169.10107	0.4
171.03279	3.1
171.11729	0.7
173.04900	1.0
173.13210	0.5
175.02878	0.8
177.04419	0.5
177.05865	0.7
177.12715	0.5
179.03844	0.5
179.14357	0.4
181.01680	0.5
181.05351	2.0
183.03271	1.1
183.06914	0.5
183.11633	0.5
184.00484	0.5
184.04066	0.6
185.04884	3.1
187.02745	0.6
187.06514	1.2
189.00659	0.5
189.04337	1.5
191.05881	0.5
193.05389	0.5
195.06947	0.6
197.04802	0.8
198.02049	0.4
199.06424	9.8
201.04350	0.7
201.08015	0.5
203.05887	2.7
204.27321	0.4
205.01773	0.9
205.05588	0.5
205.07462	4.1
207.03337	0.7
207.06923	0.9
209.04793	0.7
210.01923	0.5
211.06435	2.6
213.08009	1.2
215.05850	0.6
217.05438	0.4
217.07458	7.3
217.10779	0.5
219.06995	0.9
219.09030	0.7
221.08554	0.5
222.08182	0.4
223.02794	3.3
223.06531	0.7
223.08409	2.3
225.04453	0.9
225.07927	2.7
227.05946	1.6
227.09558	0.8
229.07510	2.8
231.06992	0.4
231.09048	0.7
233.08578	0.6
234.08049	0.5
235.06429	0.5
235.10147	0.6
237.04353	1.5
237.07948	4.4
238.05246	0.4
239.09604	1.6
239.18097	0.5
241.07454	0.7
243.09064	8.0
245.06989	0.6
245.10760	0.5
246.04413	0.5
247.08434	0.6
248.05594	0.4
249.08081	0.6
251.06004	0.8
251.09486	2.5
253.07437	0.5
253.11111	2.4
255.09044	22.3
257.10550	1.1
257.19012	0.7
261.07782	0.5
261.10211	2.3
262.08783	1.7
263.09454	0.5
265.11194	0.4
266.10828	0.5
267.09085	0.6
268.09848	0.6
269.10678	1.6
271.12173	1.0
273.10089	9.5
275.20035	3.0
278.10690	3.2
279.09021	2.5
279.11829	0.4
280.09808	5.0
281.10526	0.8
291.12656	0.5
293.20871	0.6
296.11725	0.7
297.10089	1.5
298.10733	1.8
303.11441	0.9
303.16251	1.7
307.15881	0.9
321.17352	1.4
331.15790	52.9
332.16220	0.5
349.16852	100.0
349.23801	4.3
350.17136	1.7
367.17920	25.9
368.18356	0.6
372.18436	10.6
373.18655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
53.83191	1.0
55.01877	8.8
55.05515	5.1
56.96568	38.1
57.03419	2.5
57.07053	1.0
61.27724	1.1
67.05508	9.1
69.07074	13.5
70.08136	2.5
70.08533	1.5
71.04962	1.3
71.95282	5.8
72.96034	1.3
79.05491	14.5
81.03403	3.3
81.07065	12.2
83.04965	1.2
83.08606	2.3
84.96028	2.0
91.05493	11.4
93.07060	9.6
95.04948	2.8
95.08618	6.6
97.06528	14.7
97.96760	2.2
98.97569	3.2
105.00166	1.4
105.07028	11.2
107.04961	4.5
107.08606	5.4
109.06503	2.7
109.10159	2.4
110.97571	12.6
112.99146	1.6
115.97901	1.1
116.98604	1.6
117.07015	3.6
119.01721	0.9
119.04932	1.1
119.08604	7.6
121.06493	2.0
121.10133	3.6
123.01241	1.5
123.08018	1.7
128.98622	9.7
131.00175	1.3
131.08583	5.2
133.10127	5.8
135.08023	1.6
135.11644	2.0
137.02737	1.9
137.05974	1.7
139.00648	2.1
143.00125	1.3
143.08534	1.1
145.06366	1.2
145.10194	5.0
146.99623	3.5
147.11679	2.7
149.09618	3.4
149.13174	1.2
151.00667	1.5
153.02242	2.2
155.03679	1.1
157.10143	1.6
159.11661	3.0
163.04329	0.9
163.11150	2.3
167.03767	2.5
167.12502	1.0
169.01639	2.3
171.03268	3.3
171.11737	1.0
173.04851	2.2
173.13254	2.0
177.02202	1.2
179.03726	1.2
179.14326	2.5
181.05373	2.2
183.03317	1.5
185.04842	4.8
187.06380	2.1
189.04376	2.8
193.05319	1.3
193.11993	1.1
197.04897	1.7
199.06433	12.9
203.05882	3.2
205.07509	6.1
209.04866	1.1
211.06386	4.3
213.04372	1.2
213.07985	3.1
217.07408	8.6
219.06943	1.1
223.02776	2.8
223.08484	1.8
225.08032	5.8
227.09612	2.4
229.07542	1.6
231.06927	1.0
231.09052	2.0
235.06425	1.1
235.10112	1.1
237.04422	2.3
237.07928	6.6
239.09483	1.8
239.17828	1.1
243.09012	6.1
251.09653	4.8
253.11090	3.4
255.09056	30.0
257.10550	2.3
257.18820	2.4
261.10071	1.8
262.08618	1.6
267.08994	5.0
269.10574	9.8
271.12366	1.1
273.10132	11.1
275.20084	12.1
277.11188	1.8
278.10632	3.2
279.09018	2.5
280.09842	5.7
281.10461	1.7
285.10013	3.7
287.11618	2.5
298.10892	2.9
303.16333	1.5
321.17331	1.2
331.15781	47.6
349.16855	100.0
349.23169	12.4
367.17932	26.9
372.18408	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	349.0896
Annotation	Pibocin B
Peak:m/z	Relative Intensity
51.93554	0.3
55.05505	0.7
56.96567	0.5
69.03409	1.4
70.06586	0.9
70.80153	0.7
70.80491	0.6
71.04975	0.7
73.02898	0.4
81.03429	0.9
81.07069	0.5
83.08612	0.4
85.02896	1.7
91.05482	0.4
91.85043	0.4
97.02876	0.5
98.97569	0.8
99.04465	0.4
109.02888	0.8
119.04946	0.9
127.03919	1.3
131.04903	0.6
137.05943	0.4
147.04391	2.2
147.74960	0.3
155.01981	0.4
182.87880	0.4
185.04283	1.1
187.03702	2.0
189.05452	1.0
206.91589	0.4
229.03423	0.9
231.05016	0.5
232.06580	0.4
247.04541	2.3
254.74919	0.4
259.04459	1.0
261.10614	1.0
265.05606	1.8
267.97540	0.5
269.35757	0.4
285.12109	0.4
289.05554	0.7
289.12003	0.4
298.89932	0.4
303.13446	0.4
307.06647	1.1
331.12970	1.0
332.11884	0.8
349.08932	100.0
350.09363	1.2
367.08942	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08581	1.4
55.01862	1.9
56.96565	21.1
57.03427	2.8
58.99867	2.1
59.41264	1.2
61.02916	4.9
68.98262	1.7
69.03425	7.5
70.35056	4.3
70.98103	2.4
70.99847	2.2
71.95250	1.8
73.02895	1.4
77.00874	2.2
81.03385	1.8
82.99841	5.7
84.96031	3.5
85.02898	18.3
86.99345	1.4
89.00883	2.3
94.99826	1.9
97.02898	7.2
98.97585	20.3
100.99125	1.7
101.00884	59.2
103.02428	2.6
105.00359	2.7
110.97596	7.4
112.99158	1.7
113.00864	19.8
113.32027	1.4
115.02418	13.2
116.98627	8.0
117.03972	1.7
119.01920	88.9
121.01624	1.4
125.01848	1.3
126.98808	2.0
127.02423	2.5
127.03875	4.4
128.98602	7.9
131.01906	59.2
133.01697	1.6
133.03464	30.9
134.99681	1.4
137.02977	7.1
140.98589	2.4
141.00403	1.6
143.00179	3.0
143.01900	26.0
144.98111	3.2
144.99835	5.4
145.03482	11.8
145.04616	1.9
146.99643	6.6
147.01399	3.3
147.03116	1.8
147.04970	1.7
149.01193	1.8
149.02948	11.8
151.04514	4.2
154.03461	1.7
155.01915	11.2
157.03481	8.6
158.99634	4.8
159.01418	2.6
161.01288	3.1
161.02948	24.2
162.99144	1.5
163.04422	1.7
165.00679	2.1
168.98322	2.5
168.99825	41.0
170.96036	1.5
170.99550	2.1
171.01381	2.7
171.04942	1.5
172.97577	5.7
172.99103	2.9
173.01404	1.9
173.02962	32.6
174.99132	4.0
175.04509	3.8
175.74715	1.3
177.00822	2.3
177.02432	3.8
177.04083	1.6
180.99828	9.4
182.99707	1.4
185.03003	7.5
186.54881	2.5
186.99141	4.0
187.00856	36.4
187.04411	2.9
188.97060	5.8
189.00731	2.3
189.02417	1.7
190.95366	1.5
190.98734	7.4
191.00238	2.5
191.02350	2.0
191.03943	11.7
193.00240	3.1
196.99323	25.6
197.03108	2.0
199.00885	15.7
201.00761	2.7
201.02441	7.4
202.98714	2.0
203.04018	6.7
205.00208	2.2
206.98105	2.7
208.99654	5.4
210.99086	3.2
213.02428	5.3
215.00365	86.5
217.01965	3.0
219.01694	3.6
219.03502	8.4
220.99742	2.0
221.03159	1.8
221.05070	15.7
223.01083	1.8
227.00368	4.3
227.04001	1.7
228.03935	1.9
229.00160	4.5
229.01973	48.3
231.03532	12.2
232.99599	7.1
233.05142	8.4
237.02730	3.5
238.01884	3.2
239.00557	1.8
239.06177	14.8
241.01973	11.8
245.01427	4.0
247.03038	100.0
251.00668	5.8
255.03838	1.9
257.01529	2.1
258.57034	1.9
259.03033	25.7
260.99240	1.6
261.02582	3.1
263.00732	2.6
267.57352	2.2
268.07632	1.6
270.04681	4.3
271.03180	2.1
277.04074	6.2
289.04083	30.9
293.07062	1.6
299.85852	1.3
307.04950	4.4
308.34003	1.3
317.03540	22.6
330.99820	3.2
331.05115	3.0
349.06076	16.4
349.10626	2.1
373.04318	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.217
Annotation	Consabatine
Peak:m/z	Relative Intensity
55.05502	1.5
57.03430	0.5
58.06582	0.6
59.83443	0.4
60.04518	1.7
63.63316	0.5
67.05506	0.9
69.07063	3.7
70.06587	3.4
71.07342	0.9
79.05492	1.7
80.22097	0.5
81.07063	3.1
82.41195	0.5
84.04531	0.7
84.08140	3.8
86.06052	0.6
90.34343	0.5
91.05505	0.9
93.07032	1.1
95.08628	0.5
97.06541	2.6
98.06049	2.6
98.09718	0.5
99.08128	0.5
103.05460	1.0
105.07017	0.8
107.08576	0.7
114.09172	0.8
115.05461	1.8
117.06992	0.8
119.08581	1.2
123.04411	1.6
126.09159	0.7
128.06189	0.8
129.07007	3.8
131.04951	1.4
131.08600	0.7
133.06529	0.9
133.10120	0.6
134.05965	0.8
137.05971	1.0
143.04953	3.1
143.08548	1.6
145.06471	1.3
145.10190	0.5
147.04398	1.8
147.08069	1.1
149.05995	7.6
157.06503	3.9
157.10078	0.6
159.08022	1.1
161.05966	3.9
162.05515	1.2
163.06297	19.0
163.07538	2.1
164.07065	7.5
167.06964	0.6
171.08069	1.6
171.11711	1.4
173.06004	1.0
175.07568	5.6
176.07062	1.0
176.08406	0.6
177.09126	0.7
179.08533	0.6
181.10112	0.5
183.08104	0.6
185.09653	1.3
187.07635	1.1
188.06981	0.6
188.10643	0.6
189.07794	1.4
190.08679	0.9
191.10686	1.0
195.08055	0.7
197.09737	0.8
199.11234	1.7
201.09291	0.7
202.08588	1.7
204.06616	0.5
204.10281	1.2
205.10959	1.1
206.11765	0.8
214.08582	3.6
214.12073	0.6
215.10718	1.5
216.10167	0.7
217.12454	4.5
217.20135	0.5
218.11749	3.1
227.16452	0.7
228.10237	1.4
229.12273	1.3
230.11813	0.9
232.13350	2.0
233.10663	0.6
244.13353	1.0
257.14127	2.4
260.12653	0.6
261.13657	0.6
268.16922	0.6
286.18021	20.4
288.15942	0.8
288.19656	0.6
303.17838	1.0
304.18167	3.5
330.20627	43.5
331.21243	0.5
348.21701	100.0
349.22137	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2171
Annotation	Consabatine
Peak:m/z	Relative Intensity
54.30344	0.4
55.05516	2.9
56.05019	1.5
57.03405	0.6
60.04522	5.2
67.05491	2.2
68.05014	1.0
69.03417	2.5
69.07080	7.1
69.58338	3.4
70.06579	2.3
71.04979	0.9
72.08120	1.1
74.06058	2.3
76.12469	0.5
79.05497	2.5
81.03399	1.0
81.07067	3.3
83.04987	0.5
83.08607	1.3
84.04504	1.0
84.08118	2.2
84.75562	0.5
85.02867	0.7
86.06079	1.1
86.09694	2.1
91.05473	2.6
93.07050	1.9
94.06552	0.7
95.04980	0.5
95.08607	1.6
97.02887	1.0
97.06541	5.9
98.06052	3.7
98.97591	1.3
103.64624	0.6
105.07012	0.9
107.08582	1.1
109.06513	1.1
109.10105	0.6
110.07178	0.8
110.42255	0.5
110.97559	0.7
112.07624	3.8
115.05463	0.5
119.04937	0.6
119.08608	0.9
120.08131	0.6
121.10119	0.9
122.06053	0.6
123.08050	0.6
126.05501	2.2
126.09171	4.4
128.10651	0.6
130.08672	1.0
131.04974	0.6
134.06013	3.0
135.06801	3.3
136.06180	0.7
136.07570	1.0
137.05995	2.9
143.08556	0.6
144.06569	0.8
144.10214	0.8
145.06480	0.6
147.03091	0.6
147.04410	1.2
147.08072	1.3
148.07536	1.8
149.04727	0.5
149.05922	1.2
149.08348	0.8
158.08168	1.0
162.05501	5.4
163.06300	29.5
164.07071	32.8
173.56679	0.6
175.07639	0.9
176.12929	1.1
176.14288	4.0
177.07785	1.5
185.09685	0.6
188.10617	0.7
189.09016	0.7
190.08530	0.7
198.14873	2.3
202.08604	2.3
202.12344	0.6
204.13860	13.4
208.05988	0.6
216.10283	0.6
216.14081	0.6
216.15973	6.5
217.10971	4.3
218.11746	4.0
231.12521	1.8
232.13428	2.7
234.15173	0.8
242.10046	0.7
250.58795	0.5
258.18475	0.8
260.12686	0.8
266.28583	0.5
269.15231	0.7
286.18164	3.0
304.18222	2.5
330.20624	64.2
331.21082	0.6
348.12576	3.3
348.21603	100.0
349.21884	0.8
357.60657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1767
Annotation	Asp Thr Leu
Peak:m/z	Relative Intensity
54.91426	1.1
56.05035	10.3
57.03433	2.1
58.06597	8.2
69.03429	2.3
70.02958	7.2
70.20547	4.9
71.34914	1.0
74.06081	45.2
82.06587	6.3
84.04504	31.5
85.02909	9.7
86.06074	1.5
86.09707	53.9
88.03984	22.6
97.02880	2.3
97.04086	1.1
98.02421	1.2
98.06007	2.0
99.04482	1.4
100.07610	12.0
101.07141	2.0
110.06031	3.0
111.05571	6.4
112.03977	4.5
112.11230	3.1
123.04415	7.3
124.11239	1.1
125.07105	2.2
126.05516	52.8
127.03926	1.9
127.04943	1.3
127.05831	1.4
129.06606	12.8
129.92474	1.1
130.05035	1.2
132.10201	27.0
136.03975	1.6
136.06172	1.3
138.05492	9.7
139.05888	7.4
141.13881	3.6
143.08151	2.0
144.06558	100.0
145.04977	2.6
145.06894	1.1
153.06612	3.6
154.04970	4.9
168.06633	1.4
169.04965	2.0
169.13365	3.1
170.09210	3.6
171.07607	10.2
186.07692	1.2
187.14557	1.6
189.08707	83.1
197.12834	4.6
198.08769	2.8
199.07144	10.6
215.13914	2.7
217.08208	71.8
233.14987	9.8
243.13440	2.9
284.16019	10.4
312.15576	4.1
330.16580	17.8
348.17380	2.0
349.09015	2.5
349.14600	6.6
365.77841	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04013	0.6
53.03940	0.9
57.03432	1.0
61.02925	0.8
65.03930	4.6
69.03439	0.9
69.53439	4.6
70.06594	1.3
74.06074	1.0
79.05507	1.4
84.08157	0.9
85.02898	1.3
91.05488	10.0
93.03405	17.1
93.07045	1.7
95.04969	0.7
95.08587	0.8
97.06548	1.6
98.97577	3.1
103.05478	1.6
107.04960	2.8
109.06499	1.3
110.03645	1.0
111.04446	10.6
119.04945	8.0
121.02844	1.8
121.06535	4.4
123.04404	1.4
125.05994	33.1
128.02299	0.9
131.08592	1.2
133.02884	1.4
133.06496	1.4
133.34750	0.7
134.03600	1.4
135.04427	9.8
136.06158	1.7
137.05974	21.7
143.47786	0.8
147.04390	1.2
149.05983	100.0
150.06769	13.6
151.07549	7.4
153.05467	88.1
154.20537	0.7
158.99617	1.1
161.05956	7.3
163.03979	1.9
163.07500	1.0
167.07057	0.7
177.05446	8.2
195.06532	82.1
207.08046	1.0
225.09200	1.4
234.77461	0.7
253.08583	1.9
267.10248	1.5
285.11224	10.8
310.62012	0.9
313.10611	1.9
331.11761	67.7
348.10550	1.0
348.14471	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	347.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58401	0.5
57.12788	0.5
64.15823	0.5
70.15569	1.7
87.70708	0.5
231.35391	0.6
240.51689	0.5
277.14093	0.8
347.21942	100.0
348.22296	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2193
Annotation	Cortexolone
Peak:m/z	Relative Intensity
58.33782	0.5
68.83996	0.7
70.16830	2.3
72.82767	0.5
98.21537	0.7
111.27731	0.7
137.25249	0.6
189.02913	0.6
239.68686	0.6
261.14655	3.4
269.22751	0.6
347.21930	100.0
348.22247	1.2
366.81839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.05510	7.3
57.07076	34.5
67.05511	12.6
67.12257	1.7
69.07073	13.5
71.04993	5.4
71.08637	28.7
71.35756	1.5
72.96691	1.5
79.05499	5.8
79.41110	1.7
81.07056	38.0
83.08613	4.8
85.06544	2.7
85.10190	20.5
89.06035	100.0
91.05476	3.2
93.07054	16.0
95.08607	36.3
97.06557	3.0
97.10179	4.0
99.04456	14.2
105.07034	6.9
107.07077	4.8
107.08596	16.2
109.10168	21.0
113.13343	2.3
119.08604	6.9
121.10116	11.4
123.08083	5.6
123.11693	10.8
129.27119	1.9
129.95622	1.9
130.08655	4.5
130.70096	2.0
133.08624	14.8
133.10112	9.7
135.11690	10.3
137.13292	8.4
141.09116	13.0
145.10165	4.4
147.11723	9.6
149.13278	8.2
151.09653	33.8
151.11024	3.4
151.14886	2.5
154.28764	2.2
159.11722	6.1
161.13304	7.0
163.14864	7.4
173.13280	4.3
175.14755	2.5
177.16414	4.1
187.14813	2.5
189.16411	2.7
201.16385	3.1
203.18135	1.9
215.07747	1.9
215.18045	3.0
217.19594	3.1
219.21109	3.7
271.24188	8.4
303.17853	4.5
311.27341	5.3
329.28363	14.1
347.21790	7.7
347.29587	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	347.17
Annotation	Rehmapicroside
Peak:m/z	Relative Intensity
53.03933	2.6
55.01852	4.9
55.05270	1.8
55.05512	26.8
56.05035	1.3
56.96568	6.8
57.03423	4.0
57.07073	2.5
59.04990	4.1
61.02910	3.6
67.05504	2.8
69.03433	20.5
69.07063	5.7
70.06595	6.2
71.04993	3.4
72.08129	2.0
73.02894	3.2
79.05491	4.7
81.03411	5.3
81.07071	6.6
81.84241	1.3
82.85426	1.4
83.04983	31.1
83.08625	14.6
84.04469	1.2
84.08134	3.7
85.02905	32.2
86.03236	1.4
86.09708	3.3
87.00815	2.8
87.04461	2.7
91.03927	2.0
91.05474	6.6
93.07035	5.1
95.08627	5.7
97.02892	17.8
97.06532	8.4
97.10185	1.5
98.03241	1.6
98.96940	1.6
98.97588	29.6
99.04413	2.4
101.09639	1.4
105.01846	3.0
105.07040	5.7
106.07349	2.6
107.04939	3.4
107.08581	8.1
109.02873	3.5
109.06512	3.7
109.10141	1.9
110.07125	1.2
110.97581	2.9
111.04439	6.8
111.08120	1.5
115.03925	10.7
115.63782	1.1
116.98613	11.7
119.04915	2.4
119.08562	3.7
120.08935	1.4
121.02843	1.7
121.06475	3.1
121.10143	18.7
122.02699	3.5
122.03613	1.1
123.04415	1.5
123.08117	3.0
124.07601	1.2
125.02363	3.0
125.09618	9.9
127.03889	8.1
128.98669	1.7
131.08609	1.4
133.04947	3.6
134.99640	3.6
135.04390	1.4
137.05980	5.1
137.09593	7.1
139.11182	8.4
143.00198	1.5
145.04922	4.4
147.04395	4.6
147.08005	2.5
148.07405	1.4
148.08461	2.7
149.05984	2.4
149.09607	4.3
151.07547	1.8
158.99643	16.9
161.04486	6.3
161.05791	1.6
165.05589	1.5
165.09027	1.2
166.08554	1.8
167.10675	100.0
168.06445	1.5
177.00734	13.9
178.84068	1.7
185.11749	21.0
192.10345	1.5
193.04414	2.3
195.06468	1.3
201.04121	1.4
204.10143	1.5
207.10153	4.3
208.10564	8.6
219.01764	10.4
219.05029	2.5
229.11778	1.5
237.02823	6.4
241.09299	1.2
279.03949	2.8
296.58566	1.3
303.17639	3.5
311.10522	1.3
330.10394	1.3
347.09702	2.8
347.12866	1.8
347.16449	18.6
347.20129	5.2
365.05362	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.9
56.96569	41.9
57.07080	9.5
58.06567	2.2
65.96952	1.7
67.05492	7.8
69.07078	10.2
70.00219	6.0
70.00629	3.3
70.06593	18.9
70.95112	1.6
71.06903	2.9
71.08620	6.9
71.95247	5.7
74.97616	1.9
79.05473	3.9
81.03410	2.4
81.07040	7.3
83.08613	2.6
84.96023	3.5
86.61041	1.9
88.07632	23.5
89.07938	2.7
91.05466	7.7
93.07051	5.2
95.04962	4.8
95.08589	3.7
97.06530	2.4
98.20758	2.5
99.08098	2.9
102.09204	16.4
105.00179	2.9
105.07048	4.1
107.08559	4.9
109.10172	3.9
110.97575	4.4
117.06965	2.3
119.08575	5.0
121.10193	3.3
123.23138	1.8
128.98590	5.2
129.38889	1.8
131.08551	3.3
133.10083	3.0
143.00172	2.1
143.08597	2.2
146.10596	1.9
151.11185	12.4
155.00259	2.3
157.10069	3.4
159.11627	2.5
169.10187	2.5
169.40744	2.0
171.03284	3.3
173.01288	2.7
185.04747	2.5
197.04803	2.8
199.06409	15.0
203.05836	3.3
210.91882	2.2
211.06502	4.1
213.04333	4.9
217.05487	2.6
217.07430	17.7
222.08005	3.6
225.08022	3.2
227.09589	15.7
229.07379	2.4
231.09029	2.7
233.13232	2.2
237.08089	3.3
241.07478	6.7
245.10634	11.6
252.05789	1.9
253.07448	8.0
253.11092	9.7
255.09129	5.4
259.08499	2.0
265.07474	4.2
271.08530	3.3
279.09003	6.2
283.08536	7.9
284.29523	19.7
285.29852	35.1
293.21054	18.0
295.15741	2.4
297.10086	18.8
305.17181	1.8
315.10989	2.3
320.11807	5.4
320.45950	1.8
321.17334	2.2
329.14230	4.2
329.32336	2.8
337.16858	3.1
342.13348	1.8
346.33167	67.3
346.66977	2.8
347.15555	49.1
347.21945	68.0
347.33481	100.0
365.16357	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	347.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01855	0.9
55.05504	0.5
56.05021	0.7
56.96572	0.3
59.37130	0.3
60.04514	1.3
68.05009	0.6
69.03430	3.5
69.39743	0.3
69.87985	0.5
69.88389	1.4
70.06590	1.1
71.04990	0.7
72.04518	0.6
76.03826	0.3
80.05033	1.4
81.03413	3.0
82.06562	1.0
83.04980	0.6
84.04047	0.5
84.04505	6.4
85.02900	0.4
86.06033	0.3
90.05566	1.9
96.04490	16.9
97.02889	3.9
98.06051	8.2
98.97597	0.7
99.04446	1.5
101.02362	0.4
108.04475	1.0
109.02875	4.3
110.06020	0.6
110.97581	0.4
112.40659	0.3
114.05567	0.9
116.07115	2.5
124.03967	0.4
126.05518	15.1
127.03917	1.6
138.05499	100.0
139.05852	0.5
140.07069	0.4
144.06557	16.4
162.07613	5.2
165.75694	0.3
168.06560	21.1
184.11409	0.3
186.07608	11.4
211.14363	0.4
301.13687	0.5
346.37186	0.4
347.13385	1.6
347.17200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1235
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
52.44569	0.4
52.98459	0.4
53.03930	0.5
55.01871	2.0
56.05045	0.4
57.03442	0.6
57.28304	0.4
65.03937	2.8
67.05232	0.4
67.05511	4.4
68.05019	1.2
69.03432	0.8
70.06589	1.0
71.56040	0.8
72.08136	0.6
74.06073	2.5
79.05496	0.5
81.03398	0.5
81.07053	0.5
82.06609	0.6
84.08139	0.7
85.02930	0.8
86.09711	1.3
91.05488	2.3
92.05006	10.5
94.06540	1.0
95.04961	1.3
96.04480	1.8
97.06538	1.1
98.06127	0.4
98.97592	0.6
108.04472	1.1
110.06013	0.7
111.04483	0.6
119.04913	0.4
120.04468	6.0
120.08183	0.4
121.06478	0.4
122.06045	1.7
126.09164	1.6
126.69634	0.5
129.07011	0.5
131.08575	0.5
132.10210	0.5
134.06001	0.9
136.07591	1.3
137.06009	0.9
138.05504	11.1
139.27635	0.4
143.08620	0.5
144.10184	3.2
146.06010	1.0
148.03946	1.4
149.52161	0.4
151.49454	0.4
153.07059	0.8
155.07323	0.5
157.08878	0.5
162.05530	0.6
164.07066	6.4
166.05002	6.2
167.07214	0.6
167.08536	0.5
168.08104	1.0
169.08842	0.5
170.09674	2.2
172.07578	1.2
175.07516	0.7
176.07011	1.0
180.08012	0.6
182.08122	5.8
183.06808	0.7
184.11206	1.0
185.10661	0.8
186.09128	0.6
187.08685	0.8
194.09750	0.5
196.07600	1.6
197.08348	0.6
198.09158	9.0
199.08566	3.9
200.07048	0.6
200.09454	0.7
201.10341	1.2
205.10886	0.5
207.37943	0.5
208.06059	1.2
209.10965	0.5
210.09172	1.2
212.07159	0.9
212.10774	2.2
213.06596	2.1
213.10225	6.4
214.08685	2.8
214.10779	0.7
215.08253	0.9
216.10443	0.6
223.08672	0.6
224.07007	0.6
226.08691	14.1
227.08173	4.6
227.11691	2.0
228.08844	0.9
230.11250	0.9
231.11549	1.0
233.14923	1.5
237.10315	0.8
238.08672	1.5
239.12083	0.5
240.10312	3.7
241.09737	22.3
242.08134	1.0
242.10550	2.7
255.11241	4.4
256.09839	2.5
257.09375	0.9
258.11227	2.1
258.14957	1.2
259.10867	4.3
259.15115	2.8
260.11673	1.3
265.09726	2.0
266.08246	1.4
267.11285	1.8
268.09723	6.0
269.09207	6.3
270.07513	0.7
273.12515	1.5
274.13898	3.8
275.10330	0.6
283.10776	4.9
284.09186	1.9
285.17532	0.6
286.10794	3.9
287.10266	13.0
287.13535	0.7
293.09219	1.3
301.11871	11.7
302.17432	2.5
303.17798	19.0
311.10269	4.3
312.08597	0.5
319.12823	4.8
329.11356	4.0
329.19980	0.5
330.09561	0.7
347.12393	100.0
347.15451	3.7
347.20215	15.8
348.12695	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01863	1.0
55.05510	1.0
55.70726	0.7
56.05028	1.6
56.96564	4.8
57.03429	2.7
58.99837	0.7
60.04528	3.6
60.04778	0.8
61.02904	2.3
68.05007	1.3
69.03139	0.8
69.03429	9.8
70.06590	4.0
71.04993	1.6
71.55342	1.6
72.04506	0.8
72.08147	2.8
73.02905	2.3
74.06073	1.1
78.88676	0.7
80.05017	1.5
80.12103	0.8
81.03404	5.3
82.99838	2.0
83.01299	0.7
84.04504	24.3
84.08134	1.7
85.02906	12.9
86.09691	4.2
90.05532	2.3
91.03956	1.3
96.04494	16.5
97.02895	10.2
98.06060	7.8
98.97582	11.6
99.04441	2.5
100.04011	0.9
101.00276	1.2
101.00887	13.9
101.07156	0.9
104.03117	1.2
108.04426	0.8
108.08089	0.9
109.02879	5.3
110.06023	1.3
110.97557	2.2
112.99159	0.9
113.00865	1.4
113.03542	1.4
115.02403	1.2
116.07094	5.0
116.98622	4.2
119.01916	19.7
123.04445	1.6
124.03973	0.9
126.05515	33.7
127.03915	4.9
128.98602	2.8
129.10225	1.1
130.04994	1.9
130.08682	1.0
131.00140	1.3
131.01866	2.3
133.03372	1.1
136.06190	4.4
137.05983	1.1
138.05502	100.0
143.01898	82.4
144.02089	0.9
144.06560	21.6
145.03459	2.2
145.04890	1.8
147.03215	0.9
147.07640	3.3
155.01888	3.2
157.03441	0.8
158.99631	3.0
159.04990	1.5
161.02959	82.3
162.03221	0.7
162.07590	7.8
167.07074	1.7
168.05186	1.7
168.06560	24.8
170.99652	1.6
171.05003	1.4
172.94330	1.7
173.02943	2.2
173.12848	2.7
175.04585	0.9
176.05200	5.3
177.00702	2.9
184.04593	2.2
185.06648	1.4
185.09148	4.1
186.04495	0.9
186.07617	14.1
189.00713	1.6
189.05981	1.2
190.95360	0.9
191.02249	1.6
191.03880	0.8
197.06662	1.9
201.00800	1.4
203.04016	45.9
207.05377	1.6
219.01724	4.5
221.05074	6.8
227.07588	1.9
232.77191	0.8
232.96446	1.5
237.02773	3.3
241.05818	1.0
245.05286	1.1
257.05869	2.1
261.02792	2.1
261.08243	2.2
266.06445	1.2
279.09241	3.0
287.09753	22.8
305.10803	4.5
310.48181	0.8
347.08716	1.5
347.12314	4.1
347.19702	1.9
347.23068	0.9
351.09302	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.5
55.05508	20.9
57.03426	3.4
57.58878	3.0
63.34460	4.2
67.05510	79.9
69.03432	4.7
69.07075	22.1
70.20554	6.5
70.20956	5.8
71.04981	5.2
73.51445	3.0
79.05502	23.7
81.07064	45.2
82.59208	3.2
83.04974	5.6
83.08617	14.5
85.06516	4.7
91.05486	18.8
93.07053	25.0
95.04965	4.0
95.08607	19.4
97.06522	7.5
97.10150	17.1
98.20818	3.2
98.97572	13.9
105.07037	25.5
107.04945	5.0
107.08598	37.3
109.06596	3.2
109.10154	64.2
111.08086	6.3
112.99156	4.9
117.07000	6.4
119.08572	15.4
121.10151	10.2
125.09657	16.2
127.75085	2.8
131.08554	9.7
133.10132	19.2
135.11676	4.8
137.09633	8.2
139.11150	3.5
145.10138	7.9
147.11678	6.0
149.09596	6.5
149.13284	13.5
151.11212	3.3
155.10657	45.2
158.99652	6.4
159.11720	6.1
163.11191	5.6
171.89461	2.8
173.01273	4.7
173.11748	100.0
177.00684	2.9
177.12766	6.4
189.11281	16.4
194.91566	3.1
195.13794	30.4
213.14906	14.4
214.10860	2.9
244.99643	5.8
257.19058	8.2
275.20068	60.2
293.21088	17.7
302.17493	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	346.2015
Annotation	Holidinine
Peak:m/z	Relative Intensity
56.67450	0.3
67.05466	0.3
69.07040	1.0
70.72868	0.6
70.73212	0.5
73.60766	0.3
79.05498	1.3
83.70657	0.3
97.06534	9.7
98.97523	0.3
117.07141	0.2
128.06180	0.3
137.05963	0.6
143.08502	0.4
146.05945	0.7
147.04408	0.3
147.06805	8.0
147.07990	0.4
148.07561	0.4
157.08864	0.3
159.07986	0.5
160.11168	1.0
162.05586	0.5
163.06223	0.4
164.07001	0.8
171.08014	0.7
172.11154	0.3
173.09645	0.4
175.07536	0.3
176.07071	2.6
176.10699	4.4
177.07848	7.3
177.09320	0.5
177.11354	0.3
185.09581	0.7
186.09222	0.3
187.07526	0.7
188.10710	0.6
189.09108	0.8
190.08611	0.6
199.07532	1.1
201.11465	0.3
202.12257	2.8
204.10220	3.8
205.10976	1.6
206.11775	1.6
213.12920	0.3
214.08603	0.5
216.10146	0.7
226.29239	0.3
229.10960	1.4
230.15410	1.3
241.12279	0.7
243.12325	0.3
258.11182	0.5
258.14920	3.0
260.12842	1.4
273.13599	14.7
274.14151	0.3
300.15762	0.3
302.17505	100.0
303.17813	1.7
346.20139	43.4
347.20328	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.4
54.41255	1.3
55.01867	1.9
55.05521	3.1
56.96562	3.8
57.03428	1.9
58.99586	4.2
65.03935	2.8
67.04220	1.9
67.05509	14.8
69.03425	4.1
69.07069	2.8
70.06583	6.8
70.20554	5.2
71.05001	1.9
72.08145	5.5
73.01121	2.3
74.00666	2.2
76.02220	2.3
79.05503	8.4
80.05010	4.0
81.03410	5.2
81.05775	2.0
81.07040	3.4
82.06118	2.3
82.06583	35.9
83.04989	17.1
84.04487	3.0
84.08132	2.0
85.02898	6.4
85.06567	1.4
86.00632	2.0
86.09692	4.5
86.99037	5.0
87.04508	1.8
88.02240	1.4
88.04014	9.2
90.20670	1.4
91.04970	2.5
91.05486	31.6
93.07043	5.3
94.06586	2.4
95.04971	6.7
95.08603	5.3
97.01122	59.4
97.02884	2.1
97.06538	2.4
98.42326	1.3
98.97621	7.1
99.02670	4.2
103.05455	2.6
105.00081	3.4
105.06391	2.3
105.07035	27.6
106.06518	2.8
107.04932	3.4
107.07338	1.7
107.08575	2.8
109.06517	4.2
111.04518	1.6
115.05440	2.9
116.07056	1.3
116.98615	3.4
117.07021	18.5
119.04923	2.7
119.08585	46.9
121.06503	4.7
122.02753	9.8
123.02654	5.1
123.04442	2.8
125.05986	4.2
128.06224	11.9
129.07005	43.8
131.08577	5.6
132.01151	8.3
133.10112	7.0
135.08037	2.6
137.05959	7.6
137.09605	2.2
140.05287	9.4
141.05434	2.6
141.06966	3.8
143.06993	2.2
143.08565	33.0
145.06474	8.5
147.04404	3.4
147.08047	65.3
149.04909	1.9
149.05962	3.1
153.06985	10.3
155.07062	3.2
158.99626	2.8
159.08047	3.5
161.04208	4.4
161.09624	18.8
163.07570	6.6
165.05463	5.6
165.09145	9.3
166.04984	2.4
166.08615	3.3
167.14417	1.5
171.08052	7.9
177.00603	1.9
177.09187	1.7
179.05258	3.4
179.10696	2.8
186.05852	57.2
189.09116	29.8
194.56784	1.5
205.08627	5.0
207.10173	100.0
219.01726	2.2
224.12941	1.8
225.11093	2.6
229.11299	1.3
239.07199	1.6
241.08946	3.3
258.14856	1.4
282.11551	2.2
285.11301	2.1
287.44162	1.3
294.21643	1.2
294.38953	1.8
302.17493	4.4
310.11084	4.1
310.14969	1.3
311.09290	3.0
328.12112	71.1
337.58875	1.6
346.12610	7.4
346.15561	10.9
346.20016	4.4
365.05344	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2037
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
57.81458	0.3
58.16046	0.3
59.58553	0.3
67.05495	0.5
70.00143	1.0
70.00544	0.4
79.05502	0.5
81.07037	0.4
88.99973	0.3
91.05539	0.4
97.10090	0.4
98.21541	0.3
104.99231	0.3
159.11577	0.3
200.99074	0.4
334.74777	0.3
345.20377	100.0
346.20700	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87991	37.6
70.69012	89.7
70.91432	32.8
83.15117	36.2
95.67116	39.0
96.24974	40.5
119.08521	39.0
149.78294	47.6
187.18396	41.2
216.20941	36.1
238.79607	37.0
270.92117	45.8
300.30087	39.7
342.39166	43.0
345.09631	70.4
345.17831	100.0
345.20966	48.6
345.24185	80.0
369.33594	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1544
Annotation	Taxuside
Peak:m/z	Relative Intensity
53.03944	1.0
55.05509	2.7
61.02931	1.5
67.05503	19.6
69.03420	7.0
69.07066	1.1
69.57015	3.6
69.83878	0.9
70.06593	0.9
73.66578	0.7
79.05486	1.7
81.03405	2.1
81.07062	9.1
85.02888	3.2
87.84322	0.7
91.05524	1.7
93.07035	3.1
95.04983	4.8
95.08588	5.9
97.02895	2.6
99.04460	1.1
107.08572	2.3
109.02900	1.8
109.06509	2.7
109.10159	45.6
110.86850	0.7
119.08577	2.5
122.06064	0.8
125.05978	1.0
127.03899	4.1
137.05974	2.4
137.09618	100.0
145.04988	0.8
149.19429	0.6
155.10655	7.2
165.09119	88.1
166.09447	1.2
172.03941	1.3
183.10149	7.2
183.13841	1.0
201.11188	6.4
204.06531	2.7
221.17419	0.7
253.08823	0.8
258.15067	0.9
285.11200	1.2
302.17468	3.8
309.13339	2.0
327.14545	1.6
333.83270	0.8
345.11249	1.2
345.14880	1.9
345.18610	1.6
346.20279	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	345.1542
Annotation	Taxuside
Peak:m/z	Relative Intensity
53.03926	0.6
55.01867	0.7
55.05515	2.6
56.96572	0.5
57.03453	1.6
57.78885	0.6
61.02929	1.6
67.05508	18.4
69.03429	7.4
69.03771	0.7
69.07074	1.5
72.08168	1.6
79.05499	2.1
81.03425	3.6
81.07055	10.9
83.04996	0.6
85.02907	2.3
86.09708	1.9
87.10052	0.7
91.05489	1.8
93.07053	4.4
95.04951	3.7
95.08615	6.5
97.02914	2.1
97.06538	1.7
99.04463	1.3
99.08099	1.3
101.00881	0.6
101.05983	0.6
105.07058	0.8
107.08603	2.8
109.02888	1.8
109.06515	1.5
109.10159	42.2
109.28933	0.5
119.01935	0.9
119.08558	2.7
125.05996	2.3
127.03922	4.6
137.06007	1.6
137.09621	100.0
155.10680	6.5
165.09117	87.4
177.09082	1.2
183.10153	7.2
188.02785	0.5
201.09442	0.9
201.11209	7.9
203.10818	0.6
224.08591	0.6
273.13522	0.7
302.17395	5.1
309.13110	3.0
327.14362	2.1
345.14841	1.2
345.18781	2.6
346.20328	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	345.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10753	0.5
56.96548	2.2
61.02927	1.0
62.52624	0.5
69.03431	1.7
69.27551	0.5
69.75206	3.2
70.06579	2.4
72.08154	1.1
73.71129	0.6
76.48239	0.5
79.05479	0.7
81.03413	0.8
81.07064	0.5
82.06610	0.8
84.04494	0.9
84.08139	1.2
85.02912	3.9
86.03227	0.6
86.09700	0.8
91.05453	0.6
93.22831	0.5
97.02866	1.7
97.06546	0.6
98.97583	2.8
109.02862	0.6
116.98622	0.8
119.04896	0.7
120.05312	0.9
121.06451	0.6
123.04415	0.6
127.03919	1.0
137.05974	5.7
147.04387	4.3
148.04759	5.9
153.05490	1.0
153.78172	0.7
165.05495	1.9
165.08943	1.1
166.05836	2.6
170.75246	0.5
183.11389	0.8
187.25520	0.6
201.04369	1.2
203.05328	0.9
219.01828	0.8
219.05461	1.0
237.02782	1.3
243.05446	0.6
265.08786	0.6
273.09528	1.4
287.11011	16.9
345.15170	100.0
346.15344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10753	0.5
56.96548	2.2
61.02927	1.0
62.52624	0.5
69.03431	1.7
69.27551	0.5
69.75206	3.2
70.06579	2.4
72.08154	1.1
73.71129	0.6
76.48239	0.5
79.05479	0.7
81.03413	0.8
81.07064	0.5
82.06610	0.8
84.04494	0.9
84.08139	1.2
85.02912	3.9
86.03227	0.6
86.09700	0.8
91.05453	0.6
93.22831	0.5
97.02866	1.7
97.06546	0.6
98.97583	2.8
109.02862	0.6
116.98622	0.8
119.04896	0.7
120.05312	0.9
121.06451	0.6
123.04415	0.6
127.03919	1.0
137.05974	5.7
147.04387	4.3
148.04759	5.9
153.05490	1.0
153.78172	0.7
165.05495	1.9
165.08943	1.1
166.05836	2.6
170.75246	0.5
183.11389	0.8
187.25520	0.6
201.04369	1.2
203.05328	0.9
219.01828	0.8
219.05461	1.0
237.02782	1.3
243.05446	0.6
265.08786	0.6
273.09528	1.4
287.11011	16.9
345.15170	100.0
346.15344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.9
56.96564	29.4
57.03438	2.4
57.92926	2.2
60.89022	2.6
67.05505	6.8
69.03408	4.1
69.07065	7.8
71.56719	3.4
71.95282	3.2
73.10789	2.2
74.82135	2.1
79.05495	8.8
81.03433	3.9
81.07059	15.6
83.04974	2.1
83.08620	2.3
91.05483	9.5
93.07043	7.2
95.05013	3.1
95.08601	7.4
97.06548	7.1
104.99326	2.2
105.07027	6.2
107.08591	5.2
109.06548	2.8
109.10170	8.1
117.07033	3.3
119.08606	7.8
121.10154	3.8
125.09612	2.4
128.98573	3.1
131.08554	3.8
133.10110	3.9
135.08047	2.4
137.05939	2.9
139.00652	3.9
143.08617	2.2
145.10127	3.8
147.11594	3.5
153.02252	4.6
157.10187	3.6
163.01753	2.2
167.03809	2.3
171.03351	6.6
176.07030	2.8
181.08621	2.3
183.11855	2.0
185.04858	3.9
187.02705	2.5
196.83635	2.3
199.06464	3.1
203.05969	2.8
217.07458	2.9
224.08075	4.3
225.08072	3.2
251.09531	3.7
263.09531	11.3
273.41342	2.3
275.95331	2.1
281.10608	100.0
285.07520	2.5
289.18091	2.4
297.18887	2.7
299.11652	45.5
303.08878	2.5
304.12375	13.4
322.13449	3.2
345.09921	34.3
345.13947	3.1
345.19354	8.8
345.26282	4.7
347.15240	5.4
357.99957	2.6
365.56058	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	344.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.3
53.71283	3.4
54.85244	4.0
55.01866	7.0
55.05516	41.5
55.67158	3.7
57.03426	5.8
57.07068	14.1
61.29900	3.3
67.05174	5.7
67.05510	77.4
69.03432	5.6
69.07075	54.2
69.43425	30.2
71.04989	13.1
71.08649	20.6
79.05500	57.8
79.25558	4.1
81.03420	9.4
81.07066	82.6
83.04984	10.8
83.08617	19.4
85.06538	9.1
85.10199	25.4
91.05486	30.7
93.07047	69.8
95.04972	9.2
95.08054	7.3
95.08614	100.0
96.53812	4.0
97.06538	23.0
97.10183	16.7
98.20650	5.5
99.08111	20.9
105.07030	26.9
106.67016	3.9
107.04977	5.3
107.08600	47.0
108.12754	3.7
109.06506	6.4
109.10144	23.1
111.08091	10.1
111.11713	9.7
113.09668	49.9
119.08577	24.4
121.10151	82.1
123.08102	10.5
123.11766	7.9
125.09642	14.9
129.07034	7.6
131.08600	24.8
133.10141	20.2
135.08073	6.9
135.11688	12.1
137.09650	4.9
137.13222	4.7
139.11191	30.7
141.12680	5.3
141.87897	4.4
145.10139	15.5
147.10690	4.5
147.11682	28.6
149.09633	24.2
149.13234	10.2
151.11186	12.7
155.10704	6.3
157.10158	10.3
161.09540	5.0
161.13295	13.8
163.11180	9.5
163.14812	5.6
165.12811	22.9
167.10696	8.3
171.11641	4.6
175.11192	10.5
175.14828	5.7
179.14357	8.2
181.12309	6.3
183.13814	7.3
185.11748	10.8
185.13231	3.7
189.11186	6.8
193.12239	19.1
199.13181	4.8
203.12688	4.5
207.13785	5.0
217.14403	7.3
225.14934	5.7
231.20996	5.9
241.19498	5.5
259.20660	13.2
277.21655	53.2
291.22870	5.3
295.22653	25.9
309.24207	12.6
344.18549	12.7
344.38293	6.1
345.20343	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	344.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98144	5.7
55.01876	10.4
55.05508	50.9
55.70671	7.1
56.96569	14.9
57.07086	8.6
60.22929	6.1
60.29446	6.4
66.96728	6.2
67.05508	74.9
69.03391	6.9
69.07075	36.0
69.99958	24.8
70.00322	11.9
70.98128	10.4
71.08627	14.5
79.05500	44.3
81.03436	7.4
81.07059	100.0
83.04989	18.2
83.08634	29.9
91.05489	38.0
93.07048	81.1
95.04968	15.8
95.08610	39.5
97.06542	14.7
97.10152	10.4
98.20684	7.1
99.08086	24.8
105.07024	21.9
107.08588	35.0
109.06528	7.2
109.10148	19.6
111.08048	12.0
117.07021	15.5
119.08570	20.8
121.10146	24.1
123.11700	8.7
125.09615	11.4
131.08585	13.6
133.10126	23.5
135.11688	19.1
139.11182	20.6
145.10118	10.4
147.11734	14.4
149.13252	53.3
151.11197	9.7
153.90149	6.2
157.10057	8.3
159.11719	19.0
161.13269	10.8
173.11737	6.3
177.12779	23.1
178.98654	6.7
195.13799	57.1
209.82724	5.8
213.14934	10.2
227.16362	7.3
259.20667	15.9
277.21600	50.4
291.23184	8.4
294.16562	14.8
302.16476	9.7
309.24246	9.4
337.22485	6.0
345.20370	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01868	8.7
55.05304	4.1
55.05514	45.0
56.11231	4.0
57.03429	8.0
57.07066	15.1
62.61418	4.1
63.86711	4.6
65.03933	4.7
67.05175	7.7
67.05507	87.4
69.03424	7.7
69.07068	44.4
69.52433	34.4
71.04982	7.9
71.08629	47.4
76.07870	4.8
79.05495	72.2
81.03419	5.9
81.07056	95.1
83.04987	33.0
83.08631	32.5
85.06530	9.7
91.05482	51.0
93.07047	100.0
95.04970	25.4
95.08607	75.0
97.06528	25.0
97.10181	7.1
98.21500	5.8
99.08091	45.6
105.07028	42.5
107.04970	5.4
107.08598	49.8
109.06516	4.6
109.10154	26.5
111.08082	7.7
117.07018	17.0
119.08592	32.3
121.10163	32.9
123.08070	8.0
123.11654	6.9
125.09593	14.1
129.06975	9.8
131.08545	21.2
133.10132	41.8
135.08018	7.5
135.11697	37.0
137.09598	8.6
137.13161	5.8
139.07504	11.0
139.11179	57.2
143.08571	8.7
145.10117	12.1
147.11665	20.7
149.13274	37.7
151.11180	18.4
157.10056	11.6
159.11737	25.2
161.09590	5.0
161.13277	22.0
163.11194	15.3
163.14789	12.7
165.12704	7.0
171.11636	8.5
173.13286	8.5
175.11171	13.5
175.14828	19.6
177.12772	12.6
179.14368	8.2
185.13264	9.1
193.12212	8.8
195.13765	34.0
199.29013	4.9
217.19429	5.6
226.18021	5.5
227.16405	6.8
231.21046	10.7
241.19527	15.3
249.22070	4.6
259.20673	22.4
272.50677	5.3
277.21606	98.4
291.23206	33.5
309.24127	23.8
344.28265	5.2
345.20413	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	344.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	11.3
55.05515	46.7
56.96558	10.5
57.07079	16.2
59.89692	6.5
67.05510	71.9
69.03391	17.8
69.07079	53.6
69.18149	37.5
69.18571	30.9
71.08610	27.6
79.05502	67.1
81.07063	93.8
83.04967	23.3
83.08619	31.1
85.06510	10.9
91.05492	36.1
93.07043	66.0
95.04945	11.2
95.08620	57.0
97.06509	18.6
97.10163	22.3
98.00712	5.7
99.08076	28.0
105.07025	34.2
107.08599	43.7
107.35854	5.7
109.06486	13.0
109.10159	21.2
117.07028	14.0
119.08611	31.8
121.10150	24.9
123.11738	6.8
125.09637	21.3
131.08525	19.1
133.10139	27.1
135.08104	8.8
135.11670	29.2
139.11205	50.5
145.10104	12.1
147.11685	18.5
149.09587	6.1
149.13281	35.4
151.11163	15.3
155.52599	7.8
157.10060	8.4
159.11674	19.2
161.13312	18.2
163.11224	7.5
163.14818	11.6
164.43388	5.5
173.13290	11.0
175.11209	9.9
175.14813	11.9
177.12700	19.9
190.13322	6.3
193.12184	15.4
195.13750	14.5
203.12769	28.4
259.20630	17.9
277.21619	100.0
287.15762	7.9
291.23047	31.3
302.03003	6.6
309.24185	23.8
335.20471	13.0
345.20242	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.05516	14.3
57.03423	8.3
58.68600	2.5
65.09817	2.0
66.01869	2.1
67.05239	2.0
67.05510	25.1
69.07072	19.1
69.69550	13.4
71.04997	5.6
79.05502	29.3
79.05920	3.9
81.03410	13.0
81.07060	26.6
83.04977	7.3
83.08610	8.1
91.05483	15.0
93.07029	21.4
95.04961	10.6
95.08611	12.8
96.08109	3.2
97.06533	43.8
97.10155	8.4
101.90677	2.2
105.07040	9.1
107.04947	6.7
107.08620	12.1
109.06516	13.8
109.10147	6.5
111.08112	3.2
115.07568	3.6
117.07025	5.4
119.08598	6.7
121.06492	3.7
121.10146	10.3
123.08074	6.0
125.09581	11.2
129.06995	4.8
131.08594	11.6
133.10080	6.2
135.08015	4.1
135.11659	2.7
137.05971	2.9
138.05505	10.3
145.10139	7.4
147.08076	3.8
151.03847	2.8
152.40051	2.3
159.08063	9.2
161.09608	2.7
166.05008	45.5
171.10139	3.9
172.07503	3.2
173.08305	3.8
175.07632	3.3
177.09137	8.2
189.11214	6.6
195.13826	3.8
210.02353	2.3
211.13310	2.8
212.19395	2.6
217.15936	4.2
223.13274	3.0
229.12338	2.4
245.18903	2.4
255.13535	2.5
260.12897	3.3
273.15125	2.6
273.18387	5.8
291.19516	12.6
293.83496	2.4
300.16000	8.5
302.17548	4.5
309.20474	6.3
326.17569	7.7
326.23315	5.6
344.18582	100.0
344.24594	5.3
347.41934	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	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36167	2.6
53.03944	5.6
55.01875	4.9
55.05500	13.3
55.65234	2.8
57.03447	14.2
64.91241	3.0
67.05502	35.8
69.07069	63.9
69.98312	9.4
69.98718	5.5
71.01331	2.8
71.04998	38.6
73.02927	3.8
79.05494	41.6
81.03421	20.7
81.07057	43.9
83.04980	4.8
83.08613	8.2
85.06552	4.3
91.05497	27.6
93.07043	37.3
95.04975	39.1
95.08598	22.5
97.06534	100.0
97.10189	3.5
99.08093	7.6
105.07033	23.2
107.04955	6.7
107.08589	19.9
109.06517	16.8
109.10154	6.7
111.08138	3.7
113.05993	4.7
115.07574	45.9
117.06999	16.3
119.08620	14.2
121.06535	5.5
121.10136	13.8
123.08069	7.1
127.54404	2.9
128.06171	2.9
129.06985	6.4
131.08568	20.4
132.84671	3.0
133.10139	12.9
135.08038	7.9
135.11697	9.2
141.07002	3.7
143.08559	8.8
145.06432	3.2
145.10135	8.5
147.08101	6.1
147.11710	5.7
149.09567	2.9
149.13295	5.5
157.10095	5.0
159.08057	7.3
159.11710	10.1
163.11179	4.7
167.08493	3.4
169.10144	3.0
173.09634	4.2
173.13264	5.4
175.07593	4.9
175.11206	6.6
177.09122	7.9
177.12683	5.5
181.63036	3.1
185.13196	3.4
191.14317	4.2
195.13799	4.9
206.86142	2.8
223.13289	6.9
229.12260	3.4
263.20041	5.1
273.14926	3.7
273.18478	11.2
291.19498	10.8
300.16074	3.9
344.18497	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.6
55.01851	3.3
55.05508	5.2
57.03432	8.6
59.80243	1.8
60.43649	1.7
67.05513	18.5
69.03417	2.8
69.07074	23.3
70.29724	4.5
71.04996	12.3
73.02930	2.3
73.73901	1.5
79.05055	2.7
79.05490	20.2
81.03431	8.7
81.07051	18.3
83.04971	4.0
83.08611	2.9
90.87859	1.6
91.05480	10.3
93.07040	14.2
95.04961	14.7
95.08611	12.3
97.06533	100.0
99.08101	4.0
105.07014	10.6
107.04928	1.7
107.08598	9.2
109.06518	6.7
109.10155	3.8
115.07577	20.7
117.07019	3.4
119.08572	5.1
121.06504	2.0
121.10143	5.7
129.06984	3.2
131.08595	8.0
133.10135	5.3
135.08112	2.4
135.11664	5.2
143.08597	2.6
145.10049	3.0
147.07990	1.9
147.11615	2.4
149.13278	2.5
151.11209	2.2
157.10135	2.6
159.08051	4.0
159.11710	5.2
161.09657	2.4
175.11235	1.7
177.09134	5.7
177.12718	7.8
183.58398	2.0
195.13799	7.1
204.38359	1.9
217.15738	2.4
221.15523	2.1
223.13344	2.4
273.18530	4.4
291.19495	6.3
344.18582	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.0
55.05512	16.6
55.49147	1.4
57.03429	4.5
57.07072	9.9
58.06599	2.7
58.07425	3.0
65.03935	1.6
67.05504	24.3
69.03428	3.6
69.07068	14.7
70.06153	5.8
70.06580	1.2
71.01338	1.8
71.04987	3.8
71.08617	4.7
71.51564	1.2
72.08965	2.5
79.05494	21.7
81.03410	7.6
81.07057	26.7
83.04990	6.5
83.08622	15.5
85.02898	3.7
85.06551	2.3
85.10194	2.4
91.05482	18.7
93.07053	19.5
95.04980	7.6
95.08609	23.1
96.08943	2.9
97.02914	1.6
97.06534	14.6
97.10140	2.7
98.20901	2.8
98.21437	1.5
99.08064	2.9
105.07032	10.1
107.04993	2.8
107.08591	15.8
109.06509	5.4
109.10157	10.1
110.10476	1.7
111.08076	11.0
113.06036	1.6
117.07024	4.3
119.08577	8.8
121.06544	1.6
121.10140	17.4
123.08072	5.4
125.06049	1.6
125.09642	4.4
129.07028	2.5
131.08551	8.1
133.06442	1.5
133.10130	10.5
135.08099	3.6
135.11690	9.1
137.05966	3.4
137.09605	4.6
139.11180	2.6
143.08592	2.3
145.10123	6.9
147.08017	1.8
147.11699	4.1
149.09641	8.9
151.11217	4.2
156.55344	1.8
157.10101	2.9
159.08066	1.8
159.11687	3.7
161.09637	4.5
163.11241	1.5
167.10706	3.9
171.11639	2.2
173.11803	1.8
175.11192	2.6
177.09114	2.1
179.10620	3.9
181.12245	4.3
183.17400	2.1
184.17735	2.0
187.11177	1.6
197.11690	1.7
203.10669	2.8
203.12646	1.3
209.11716	2.6
233.11723	1.4
240.23221	29.7
241.23566	100.0
253.00970	1.5
255.13829	3.1
258.22299	2.4
273.18405	2.4
291.19556	5.5
299.16403	3.0
300.15979	2.9
326.17545	2.5
344.18658	13.0
344.25821	3.7
344.31729	10.7
347.15277	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31412	0.6
56.96571	0.9
57.03423	2.6
59.05005	32.0
61.02921	3.2
61.57201	0.6
69.03433	8.1
70.06591	4.7
70.53703	1.5
71.04989	0.9
72.08163	1.2
73.02925	0.8
77.06048	1.7
81.03409	2.8
81.07061	0.6
82.04491	0.6
84.04543	0.6
84.08109	0.7
84.15524	0.6
85.02908	27.1
86.09692	1.2
87.04487	1.6
89.06031	10.5
91.03945	1.9
91.05477	4.2
97.02905	8.7
98.97575	2.7
99.04447	1.0
103.07587	36.2
107.06081	0.9
109.02872	2.7
116.07141	1.1
116.98649	1.0
119.04952	17.6
123.04426	2.3
127.03945	4.8
133.08621	5.7
145.04950	6.2
147.04416	100.0
148.04672	0.7
152.06972	0.7
158.72530	0.7
164.07094	5.0
165.05487	58.2
165.11235	73.3
169.04285	0.8
180.08656	2.0
182.08127	2.2
225.41475	0.8
231.09818	1.5
237.02818	0.9
241.10188	1.4
300.17389	1.9
309.09760	0.9
326.12454	1.0
344.13678	5.5
344.17627	1.5
345.15027	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05676	0.3
57.03435	1.0
61.02932	1.1
65.03924	0.4
69.03428	3.3
69.17445	0.3
70.03197	0.6
70.03609	1.3
70.06599	0.5
72.57787	0.3
73.02931	0.7
81.03416	1.3
85.02905	15.7
91.03942	0.6
91.05478	4.1
96.03243	0.3
96.22997	0.4
97.02894	3.8
98.21429	0.4
99.04468	0.7
109.02872	1.5
119.04943	16.6
123.04439	2.1
127.03902	3.4
133.10124	0.4
137.23683	0.4
145.04939	4.2
147.04408	100.0
148.04747	0.5
152.11862	0.3
165.05475	59.1
180.08694	1.9
182.08116	1.1
309.09528	0.5
344.13712	1.9
344.17664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03935	5.4
55.01870	5.6
55.05514	15.2
57.03429	7.3
57.07079	4.6
59.04987	3.5
63.67379	1.7
66.33538	1.9
67.05502	19.4
69.03419	5.7
69.07058	6.5
69.78724	1.8
70.95193	2.7
70.95520	3.0
71.04995	14.6
79.05487	17.1
80.72926	2.0
81.03440	2.2
81.07050	22.2
82.78768	1.7
83.04965	4.9
83.08614	2.7
85.06550	4.3
85.18598	2.0
91.05476	24.4
93.07046	50.9
95.04972	37.7
95.08608	63.3
97.06537	15.8
103.05489	2.4
105.07031	60.3
105.28562	2.1
107.04958	2.9
107.08596	37.0
107.65237	2.0
109.06522	14.3
109.10182	3.5
115.05473	3.6
117.07019	24.8
119.08586	19.1
121.06509	14.8
121.10146	12.9
123.08054	22.6
125.06000	2.5
128.06186	2.2
129.06990	5.7
130.07765	11.7
131.08585	5.5
133.06500	6.5
133.10135	13.4
135.08061	20.3
135.11674	12.8
137.06021	3.2
137.09613	5.4
142.07741	3.1
143.08563	10.3
145.10132	65.6
147.08032	9.4
147.11694	3.1
149.09659	3.5
151.07541	39.5
153.09158	4.6
155.08569	3.5
155.10638	1.9
156.09338	2.9
157.10118	8.6
159.08073	2.1
159.11723	7.8
161.09639	7.9
161.13179	2.5
163.07608	2.6
163.11183	48.3
165.09125	10.4
169.10132	4.3
171.11671	3.8
173.09598	5.8
173.13281	2.1
174.10301	2.2
175.11137	6.4
177.09146	4.7
179.07013	3.1
179.08516	2.1
181.12326	3.5
183.11728	3.2
185.13315	3.8
187.11153	4.8
188.12044	2.3
189.12756	8.6
191.14322	2.3
195.11659	2.7
197.13332	3.7
201.16423	1.9
203.14323	8.8
207.10114	3.3
207.13766	4.0
209.13284	2.7
209.15321	3.9
221.15353	24.6
225.12721	3.0
233.15378	5.4
263.16287	4.1
269.15378	3.6
286.19238	3.9
325.21619	8.3
343.22705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03938	3.1
55.01864	6.0
55.05513	16.0
57.03417	7.2
57.07058	6.9
59.04989	4.8
60.80104	2.1
67.05503	21.8
67.89254	1.6
69.03426	6.7
69.07042	6.9
70.11792	3.7
70.12196	3.2
71.04993	15.7
79.05489	22.6
81.03413	2.9
81.07054	26.0
83.04970	4.7
83.08646	2.7
85.06524	2.6
91.05479	28.4
93.06477	3.4
93.07047	62.6
95.04373	2.9
95.04967	45.9
95.08601	67.5
97.06518	14.5
103.05443	3.8
105.04528	1.6
105.07029	75.3
107.04944	3.7
107.08595	46.3
109.06511	15.0
109.10138	5.2
115.05454	6.6
117.07033	24.8
119.08581	27.8
121.06498	14.2
121.10133	17.4
123.08066	23.9
123.11713	1.9
125.05999	2.5
128.06229	3.4
129.06999	5.7
130.07791	16.3
131.08548	8.7
133.06490	4.7
133.10130	16.7
135.08054	25.7
135.11710	13.0
137.05870	1.9
137.09619	2.7
141.06982	2.7
142.07785	4.1
143.08534	7.8
144.09363	2.4
145.06470	2.5
145.10124	72.7
147.08070	9.6
147.11676	4.9
149.09613	6.7
151.07541	41.9
153.09091	2.6
155.10652	2.1
157.10146	9.3
159.08089	3.3
159.11682	10.5
161.09625	9.1
161.13307	4.0
163.11176	52.6
165.09102	13.8
169.10083	3.4
169.60713	2.0
171.11676	7.4
173.09592	4.3
173.13203	4.1
175.11177	7.5
177.09096	4.8
179.07034	3.7
181.12257	2.3
183.11703	3.8
185.13298	2.6
187.11182	6.0
189.12788	9.0
191.14339	3.1
193.10037	2.7
195.11784	2.3
197.13257	2.7
199.10986	1.8
199.14835	2.2
203.14331	8.2
207.13850	5.5
209.15376	5.0
211.14949	2.4
215.14432	3.0
217.12277	2.3
221.13335	3.6
221.15350	31.5
227.14268	2.9
233.15431	3.4
237.83583	1.7
239.32793	1.6
243.17450	2.2
243.62621	1.7
247.17107	2.1
263.16364	7.5
267.17258	2.2
269.15396	3.6
274.19336	2.2
286.19305	3.7
287.16327	2.7
287.19949	3.4
307.20660	2.7
325.21469	11.7
343.19235	3.6
343.22653	100.0
344.22772	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	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03943	7.7
55.01864	4.8
55.05500	13.1
57.03422	4.9
57.07074	4.8
59.04995	6.0
67.05236	2.2
67.05506	24.1
69.03425	7.3
69.07063	7.6
70.81409	3.5
70.81727	5.9
71.05000	14.8
79.05507	19.7
79.40485	2.9
81.07043	26.1
83.04965	5.3
83.08575	3.5
85.06560	3.9
91.05483	32.0
93.06480	4.2
93.07043	67.2
95.04974	54.0
95.08608	58.2
97.06516	23.3
105.06397	4.9
105.07040	69.5
107.04933	3.4
107.08604	51.5
109.06518	12.4
109.10148	7.6
115.05472	3.6
115.34121	3.8
117.07002	27.8
119.08591	26.2
121.06544	14.5
121.10148	20.3
123.08086	26.1
124.75500	3.0
128.06194	5.8
129.06970	7.3
130.07826	16.7
131.08563	10.4
133.06479	7.8
133.10130	18.4
135.08076	17.3
135.11665	12.9
137.09601	5.3
142.07758	5.3
143.08575	9.0
145.10124	75.1
147.08070	9.3
147.11629	6.5
149.09633	5.1
149.64920	3.3
151.07532	39.4
153.09068	6.3
155.10626	6.2
157.10097	12.4
159.08118	3.6
159.11647	7.0
161.09590	8.6
161.13205	4.3
163.11197	53.3
165.09108	12.8
169.10109	6.0
171.11749	6.1
173.09593	6.1
173.13126	5.2
175.11168	6.5
177.09082	6.4
181.10109	5.2
181.12019	3.3
183.11702	5.6
187.11191	6.1
189.12721	11.4
191.14352	4.8
195.11673	3.5
197.13220	5.3
203.14278	10.7
207.13757	6.6
209.15372	4.1
210.78523	3.2
215.14381	4.5
221.15373	23.9
230.85574	3.5
233.15356	5.0
245.15250	3.5
263.16431	4.7
287.16672	3.4
302.68420	3.0
307.20444	3.0
325.21524	11.7
343.19089	5.4
343.22675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04249	0.6
53.35290	0.7
55.05500	1.0
56.96552	1.3
58.48939	0.7
61.48958	0.7
67.05514	1.5
68.61977	0.7
68.94064	0.7
69.07037	1.2
69.73802	1.4
69.74196	2.5
79.05483	1.6
81.07050	3.0
82.07396	0.9
86.85978	0.8
91.05484	2.6
93.07022	2.0
95.08588	2.4
98.21501	1.0
98.97581	0.7
105.07034	2.3
107.08531	1.0
117.07065	0.9
119.08605	1.7
121.10090	0.8
133.10103	1.6
145.10172	1.7
160.72995	0.8
163.11205	1.0
214.41800	0.8
229.27928	0.8
275.20084	1.8
276.20383	0.9
293.16010	1.5
301.86673	0.8
343.18802	100.0
344.18942	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59846	0.6
53.03939	1.8
55.01860	2.4
55.05497	1.7
55.99366	0.6
57.03431	2.8
57.07067	1.2
61.02643	0.6
61.02918	3.9
67.05496	2.1
69.03086	0.8
69.03431	11.7
69.07059	1.7
70.06585	1.7
71.01360	0.7
71.04987	1.7
71.56048	1.1
72.08120	0.7
73.02903	2.5
79.05483	3.7
81.03426	4.8
81.07054	7.8
83.04975	5.5
84.08119	0.7
85.02904	30.9
85.06537	0.8
86.09713	1.1
87.04457	1.5
91.03942	1.7
91.05463	4.2
93.06499	0.7
93.07050	8.5
95.04974	18.6
95.08604	2.2
97.02887	9.0
97.06547	4.4
99.04449	2.2
103.03979	0.7
104.06209	0.7
105.07028	8.1
107.04989	1.4
107.08596	11.5
108.08781	0.6
109.02879	2.6
109.06519	2.7
115.03938	0.6
116.07111	1.1
117.06989	3.6
119.08582	5.0
121.06526	3.0
121.10139	10.0
123.08076	1.3
125.05997	11.7
127.03920	6.5
129.06909	0.6
130.07780	2.7
131.00204	0.6
133.06461	0.8
133.10080	1.6
135.08057	0.9
135.11708	6.0
137.05981	1.2
137.09573	0.6
143.08525	1.7
145.04950	6.8
145.10126	18.8
147.08102	1.6
148.08803	1.2
161.09628	1.3
163.11182	100.0
164.11456	0.8
165.09172	1.5
165.12782	0.7
167.07018	0.8
173.04480	0.8
175.11183	1.1
181.12230	17.8
183.10173	0.7
187.11159	0.7
203.05305	0.9
205.12227	1.7
211.09474	0.7
219.01782	0.7
223.13286	0.9
241.09306	0.7
252.59616	0.7
264.68173	0.7
307.15436	1.3
324.61691	2.5
343.13538	11.3
343.17603	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.3
55.01870	5.1
55.05502	1.7
57.03433	6.9
61.02934	13.1
67.05498	2.1
69.03434	31.4
69.03800	1.1
69.18485	12.4
69.18900	5.0
71.04986	5.4
73.02915	6.0
79.05509	3.9
81.03422	15.4
81.07056	7.1
83.04977	5.3
83.38170	1.4
85.02909	100.0
85.06540	4.8
87.04478	4.6
91.03958	6.6
91.05489	4.2
91.99013	1.4
93.07047	11.3
95.04971	33.4
95.08615	10.8
97.02891	37.2
97.06547	3.2
99.04475	8.6
105.07018	9.3
107.08599	10.8
109.02901	9.4
109.06535	26.2
109.10147	2.8
117.07030	1.9
119.08607	6.1
120.59035	1.6
121.06523	7.7
121.10143	12.7
123.08057	2.5
125.06001	4.6
127.03912	18.6
130.07753	2.4
133.10107	1.4
135.08037	1.8
135.11681	10.0
137.09637	4.2
137.13268	3.3
141.97548	1.5
143.08571	1.9
145.04970	23.6
145.10123	13.1
147.08101	1.4
147.11668	11.4
151.11192	2.3
163.11186	78.0
165.12758	14.9
175.11269	1.5
177.12790	1.6
181.12241	94.6
205.12286	5.3
223.13280	6.8
246.39375	1.5
284.27588	1.9
307.15427	3.0
321.52780	1.5
343.13727	2.0
343.17569	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	343.1385
Annotation	(+)-Macrosphelide A
Peak:m/z	Relative Intensity
55.01849	3.9
56.96557	3.2
57.03435	2.8
57.64009	1.1
61.02913	1.6
64.00535	1.0
66.38618	1.1
69.03431	5.2
69.61897	6.8
70.06572	4.5
72.08166	1.1
73.02905	4.2
79.05491	6.6
81.03408	3.5
81.07056	2.1
83.48702	0.9
85.02900	9.8
87.04427	1.5
91.05451	2.1
94.04170	2.5
95.04976	1.7
95.50289	1.0
97.02896	5.4
98.97588	5.1
103.05455	4.6
105.07034	56.2
109.06567	1.6
110.97586	1.6
115.03934	2.1
116.98618	1.9
122.03650	3.6
127.03921	2.8
131.04922	2.5
133.06499	100.0
137.05980	82.9
145.04854	1.2
147.04395	2.6
165.05431	1.6
165.09114	49.2
181.04831	1.3
219.01761	2.9
237.02863	3.0
245.43222	1.1
258.00525	1.1
311.12439	4.7
343.09998	4.3
343.13623	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00713	1.5
56.96565	20.5
57.50200	1.0
63.21878	1.2
69.03431	2.9
70.06590	1.4
70.57851	2.9
71.95248	1.4
84.96024	2.2
85.02905	2.8
98.97585	100.0
110.97574	28.7
112.74953	1.2
112.99113	2.9
116.98619	37.0
116.99457	2.0
124.00669	1.1
128.98599	16.8
129.10289	1.2
130.93286	14.6
131.00153	3.2
134.99644	10.0
143.00198	1.8
144.94879	1.6
146.99673	6.4
148.94261	2.2
149.01228	1.4
150.98152	4.9
154.93240	2.4
158.99638	1.4
163.02678	1.2
168.99232	20.3
170.99696	3.2
172.94345	12.9
174.95909	1.2
182.99727	2.1
187.00279	46.6
189.00726	5.8
190.95454	6.5
195.27458	1.2
201.00729	4.1
204.97064	3.1
205.01334	16.2
210.01884	1.4
211.00284	11.1
214.95291	5.9
216.98703	1.6
219.01823	1.7
222.98277	1.4
223.00099	5.6
229.01318	29.9
231.01735	4.1
232.96497	8.3
237.02795	2.0
240.99014	1.7
241.01308	13.8
247.02325	5.1
249.02853	5.9
250.97548	2.6
253.01353	6.0
258.99771	1.5
259.02386	2.2
271.02481	1.9
274.97522	1.9
278.96674	2.0
290.97061	2.6
300.95435	3.4
301.03461	6.5
305.10785	1.9
307.07153	1.8
307.10684	1.5
318.96405	4.2
319.04495	9.7
337.05624	3.3
343.04471	23.3
351.13947	1.4
361.05634	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	343.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70488	0.8
56.96529	3.3
57.21193	0.7
57.44119	0.7
67.43068	0.7
71.55162	0.9
73.62563	0.7
76.00253	0.7
84.47816	0.6
86.42066	0.9
98.83768	0.7
98.97584	32.0
99.97903	1.3
102.91284	0.8
108.72212	0.8
116.98635	13.5
134.99619	2.4
145.79453	1.0
174.97667	1.2
176.97357	1.7
177.00998	4.1
192.98648	1.8
198.97781	1.3
201.00977	1.1
216.95503	1.5
216.98827	12.1
218.98495	4.6
219.01950	10.0
220.02197	1.5
221.01727	1.2
222.97842	1.3
234.00539	0.8
234.96422	2.3
234.99879	11.6
235.99748	1.3
236.99513	5.6
240.98898	12.1
243.02048	1.3
258.96585	5.0
258.99969	39.9
259.99957	8.9
261.00046	1.4
261.03058	10.3
264.98724	4.7
272.94440	0.9
273.98608	1.8
274.97556	1.7
276.97607	5.8
277.00970	20.2
278.01016	8.2
278.96756	2.0
279.00659	2.2
282.99994	100.0
284.00027	6.3
291.99707	1.1
294.98352	1.0
298.98141	1.0
300.97635	15.3
301.01007	96.0
302.01181	7.4
310.69974	0.8
318.98685	20.0
319.02197	3.2
319.97910	1.9
324.02716	1.9
325.01028	19.5
327.19986	0.8
327.96365	0.9
337.98792	1.4
342.98645	6.1
343.02139	68.3
344.02249	2.5
360.99625	11.0
361.03293	11.5
366.03830	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49149	6.4
55.01862	16.9
55.05517	58.6
55.96149	5.4
57.01796	5.3
57.03432	7.7
57.07066	17.4
66.36746	6.5
67.05189	5.9
67.05508	79.2
69.03467	7.3
69.07065	28.9
70.95518	8.2
70.95866	14.1
71.05000	7.8
71.08642	8.2
76.42191	7.5
79.05492	43.2
81.03414	11.6
81.07057	84.9
83.04977	23.1
83.08611	25.2
85.06535	12.3
89.34055	6.4
91.05499	50.0
93.07047	52.5
95.04981	36.7
95.08611	59.6
97.06541	14.2
97.10136	17.1
99.08073	9.4
105.07041	52.5
107.04945	16.2
107.08599	66.0
109.06535	13.0
109.10152	74.7
111.04459	7.0
111.08072	6.9
117.07005	10.2
119.08602	31.6
121.10110	25.7
123.08059	14.7
123.11689	18.4
125.09628	12.8
131.08565	19.1
133.10139	94.8
135.08022	9.6
135.11729	14.8
137.09602	24.0
137.80331	6.2
141.09213	7.5
145.10143	10.7
147.11676	9.0
149.09613	21.7
149.13199	6.8
151.11186	100.0
159.11632	12.6
161.09605	6.4
161.13377	7.2
163.11171	14.6
165.12788	12.1
175.11206	14.2
179.10696	13.1
179.72916	6.2
183.13829	42.4
193.12157	14.9
203.12833	7.9
217.65152	6.6
225.14763	7.1
257.18851	10.4
275.20111	72.8
293.21033	46.9
305.13715	6.2
307.22604	52.5
335.22781	8.0
342.37305	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21939	1.3
51.58239	1.2
55.01862	4.8
55.05276	3.1
55.05517	38.6
55.14207	1.7
56.96551	2.3
63.56087	1.6
67.05515	11.8
69.03415	6.1
69.06799	1.5
69.07079	17.2
69.74199	6.0
69.74612	2.9
79.05492	23.9
81.07056	13.3
83.04958	2.5
83.08617	24.6
85.06518	1.3
86.79855	1.5
91.05482	8.8
93.07052	15.3
95.04964	1.8
95.08581	7.3
97.06518	5.5
97.09549	3.3
97.10175	65.2
98.20827	1.6
100.40776	1.7
105.07050	10.5
107.08600	79.9
109.06496	2.5
109.10138	3.3
111.08060	3.1
117.06988	4.2
119.08549	5.4
121.10154	3.5
123.11706	1.6
125.09633	78.9
125.81243	1.5
131.08536	4.0
133.10126	6.6
135.08054	18.7
135.11700	3.6
145.10135	8.3
147.11685	7.4
149.09624	5.2
153.09111	13.1
157.12286	8.2
159.11633	3.3
163.11221	1.6
167.10681	1.6
171.03488	1.5
171.10220	1.6
173.13251	3.4
177.12718	1.6
181.08827	2.0
181.12212	2.9
185.11711	2.1
203.12788	100.0
205.16260	1.6
213.14865	2.2
239.17940	3.6
257.19073	10.7
275.20050	34.6
289.21594	18.9
307.22696	9.9
342.19427	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.3
53.83472	5.8
55.01863	14.8
55.05516	61.1
56.96581	5.6
57.03424	24.4
65.03928	6.0
67.05510	51.9
69.03428	15.9
69.07073	50.0
69.59911	32.9
71.04996	14.5
79.05489	53.9
81.03407	23.7
81.07061	47.4
83.04962	11.0
83.08620	37.7
85.02905	19.0
91.05483	32.8
93.07061	26.0
95.01321	17.9
95.04980	41.4
95.08593	12.9
97.02882	7.4
97.06540	52.0
97.10178	49.4
105.07028	36.9
107.04980	27.3
107.08584	34.6
109.06508	24.5
109.07207	5.8
109.10152	11.8
111.04394	10.5
111.08134	9.3
113.05994	7.1
115.05511	6.5
115.07515	11.9
117.07029	12.8
119.08595	34.9
121.02837	23.1
121.06500	27.6
121.10139	6.1
123.04434	10.9
123.08057	7.8
125.09647	43.9
129.06992	10.8
131.08537	12.0
133.06477	8.8
133.10161	12.7
135.08038	22.2
135.11626	5.8
137.05983	67.0
137.09572	9.8
145.06526	9.4
145.10095	17.8
147.08015	10.4
147.11707	25.7
149.09648	6.9
151.03920	51.2
151.05020	11.9
151.07500	8.7
152.04247	23.9
153.09129	6.9
157.06534	7.7
157.10106	11.6
159.08070	100.0
163.07558	8.8
163.11180	7.8
171.10234	8.1
175.11205	12.2
177.09105	6.6
185.09593	12.6
186.51627	5.2
187.06238	7.2
189.11201	48.9
191.10725	10.2
193.12250	20.7
198.91669	5.8
206.78806	5.0
210.28348	5.7
211.13191	11.2
215.14479	7.1
219.13806	11.8
221.11700	37.8
233.15408	10.1
237.14793	16.6
239.12804	18.5
243.17473	6.0
247.13284	18.5
253.15866	14.0
267.88013	6.0
271.16904	18.0
289.17899	49.1
298.14413	21.6
303.65067	6.4
307.18832	12.2
313.13049	7.2
325.14325	11.3
342.16956	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	342.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16216	0.9
53.03923	0.9
55.01869	1.5
55.05504	8.0
56.96563	1.4
57.03428	1.2
59.04987	1.2
59.17450	0.7
67.05510	4.2
69.07040	2.8
70.06614	1.1
70.16594	2.4
71.04969	1.1
71.08639	6.5
72.08138	2.6
73.02903	0.9
79.05488	3.9
81.03427	1.3
81.07062	6.1
83.04978	8.0
83.08616	2.5
84.08102	1.3
85.02919	1.3
86.06068	14.4
91.05484	2.9
93.07037	4.6
95.04958	1.2
95.08598	3.7
96.08115	6.2
96.08751	1.1
96.08884	0.9
97.02915	1.3
97.06530	2.9
97.10149	1.0
98.09705	10.5
98.21400	1.0
98.97574	0.9
99.08073	2.3
101.06018	4.6
105.07013	2.5
107.04958	1.6
107.08584	3.5
108.08121	2.4
109.06498	1.5
109.10126	1.9
111.04429	9.7
111.08059	1.1
116.10738	30.6
117.07034	1.2
119.08568	3.1
121.06545	0.9
121.10141	1.4
122.09650	1.6
123.08045	0.9
124.07625	1.2
125.09631	1.1
129.05479	1.6
131.08559	0.9
133.10130	1.3
134.09644	1.2
135.08090	1.6
135.11723	1.6
137.05968	3.2
138.06293	2.1
142.08643	11.3
143.10687	5.5
145.10091	2.5
151.03952	9.1
153.12743	1.0
154.15924	1.6
155.07045	1.5
160.86375	0.8
162.12813	1.1
163.11157	4.2
164.10690	3.9
166.15907	2.1
169.10187	0.8
173.08081	2.4
173.09525	1.0
177.09102	1.5
178.15892	1.2
180.13757	1.6
181.12282	1.6
182.15366	5.8
190.12277	4.0
191.10652	2.6
196.16939	4.6
198.14893	1.6
208.13344	7.6
209.11810	6.4
214.18021	70.0
226.14384	31.8
227.12856	6.6
241.08263	1.1
244.15451	100.0
245.15652	1.4
271.16769	1.1
272.10150	1.7
284.79453	1.0
289.17880	2.8
292.10391	2.2
298.14377	1.1
307.19058	4.1
324.21704	1.4
342.17044	3.1
342.23010	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	342.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.3
55.01863	16.5
55.05513	80.0
57.03428	25.4
59.04971	6.9
67.05513	82.0
69.03436	12.9
69.07063	50.8
69.22954	5.4
69.90426	31.0
71.04989	17.0
78.06628	5.7
79.05490	57.5
81.03420	21.5
81.07069	47.2
83.04982	20.7
83.08624	43.5
85.02879	12.7
91.05471	55.2
93.07038	35.2
95.01345	21.6
95.04973	51.1
95.08605	20.3
96.85229	6.5
97.02872	5.9
97.06107	4.8
97.06545	46.5
97.10175	57.0
98.20808	6.4
98.21343	12.6
98.33555	5.2
105.07037	35.6
107.04960	29.4
107.08625	27.0
109.02887	13.4
109.06529	24.6
109.10175	20.2
111.08070	7.6
113.06023	6.5
115.07560	13.3
115.19526	5.8
117.07034	15.7
119.08590	29.4
121.02898	34.6
121.06516	23.4
121.10110	8.0
123.04449	13.4
123.08083	10.2
125.09643	35.3
129.06947	14.3
131.04982	6.2
131.08568	19.4
133.06508	12.4
133.10149	16.6
135.08041	27.4
137.06018	33.7
137.09641	12.4
144.05615	6.5
145.06522	5.3
145.10072	5.9
147.08081	8.8
147.11711	26.7
149.09622	5.8
151.03859	10.6
151.07562	7.7
152.04181	7.7
152.51466	5.1
153.09108	6.8
156.03627	5.5
157.10110	13.5
159.08055	100.0
159.11617	6.7
161.09636	7.0
163.07602	12.9
163.11221	7.6
173.09612	7.2
175.11201	9.1
183.11684	7.4
185.09702	9.2
189.11267	49.1
191.10664	5.8
193.12257	27.5
214.08482	5.8
219.13820	11.4
221.11722	55.6
233.15384	10.0
237.14796	16.8
239.12753	27.5
247.13411	17.0
253.15906	14.3
271.17004	24.8
289.17981	49.8
293.79730	5.2
298.14423	15.5
307.19055	10.2
325.14401	5.6
342.16739	29.3
342.20654	7.9
342.24304	8.8
353.21872	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	342.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78314	0.8
55.05514	7.9
57.03422	0.8
57.07077	10.7
57.43022	0.8
59.05015	1.0
61.02918	2.3
69.03436	3.9
69.46284	6.2
70.06602	5.0
71.04992	0.8
73.02929	1.0
81.07040	1.1
83.08612	3.7
85.02905	13.1
86.09734	2.0
89.06029	26.1
97.02904	3.2
98.97549	1.0
101.09657	14.7
107.07071	32.2
107.07806	1.6
109.02943	0.8
110.09673	0.9
123.67719	0.8
127.03886	1.5
137.06004	0.9
145.04987	1.8
163.13298	100.0
177.07677	0.9
229.15501	1.2
324.22009	1.2
337.53146	0.9
342.19263	1.1
342.22900	2.6
343.12625	2.6
356.61563	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.05512	19.5
57.07058	6.4
59.04979	3.5
59.72689	1.8
60.07953	1.6
65.03925	2.1
67.05506	22.9
69.07073	24.7
71.04990	22.7
71.56948	2.2
79.05494	20.2
81.07060	100.0
83.04980	1.9
83.08625	11.2
85.06535	8.9
91.05482	23.0
93.07047	80.8
95.04963	5.8
95.08608	73.3
97.06514	4.0
97.10149	10.3
99.08109	1.8
101.87263	1.5
103.05436	3.0
105.07034	46.0
107.08600	65.8
109.06525	17.1
109.10159	43.3
111.08089	14.5
111.11703	2.8
113.09626	2.2
115.05404	2.0
117.07014	7.4
119.08583	99.4
121.06527	2.0
121.10145	60.5
123.08071	2.9
123.11698	19.0
125.09625	2.9
129.06979	5.9
131.04887	5.4
131.08586	19.3
133.10146	25.5
135.11696	33.7
137.05977	13.9
137.09601	9.9
137.13252	5.5
139.11136	2.5
143.08562	10.4
144.09326	3.3
145.10124	23.5
147.11702	21.9
149.05937	1.7
149.09639	3.5
149.13261	44.7
151.11195	4.7
157.10127	14.7
159.10446	3.2
159.11690	40.3
161.13261	25.5
163.07616	2.2
163.11140	2.7
163.14819	34.6
165.12814	2.0
169.10115	5.1
171.11700	11.5
173.13260	29.0
175.07512	2.5
175.14809	13.2
177.12724	5.3
177.16388	4.1
179.14319	3.1
183.11662	5.7
185.13277	8.0
187.07539	4.6
187.14841	26.2
189.16382	16.6
191.14304	3.1
191.17953	28.5
197.13289	2.8
199.14783	10.3
201.16354	9.6
203.14207	2.1
203.17912	5.8
211.07591	2.2
211.14792	5.5
213.16411	16.7
215.17949	7.8
217.08583	2.4
217.15814	3.0
217.19495	4.5
225.16287	4.4
227.06866	2.7
227.17953	16.3
229.19466	6.7
231.07985	2.1
231.17416	2.2
231.21165	3.2
239.17776	2.7
240.07874	2.1
241.19496	4.3
243.20996	2.0
245.18901	2.1
248.08342	5.2
253.19461	4.0
255.06523	3.2
255.21031	2.5
257.22620	11.7
262.06204	2.0
263.10776	2.4
267.21146	8.2
270.08780	3.2
271.09521	4.3
271.24118	3.2
275.38489	1.7
281.22665	5.4
283.21030	2.9
283.24207	51.7
291.10184	6.4
296.10291	1.9
311.12836	1.9
323.12750	5.7
323.23651	3.1
323.27371	45.6
341.10059	1.9
341.13553	8.5
341.21490	3.8
341.28812	78.1
359.06213	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.1
55.05514	6.4
57.07053	1.9
60.04494	2.0
60.08608	0.9
60.45995	1.0
63.85752	1.0
67.05507	8.4
69.07065	8.4
69.90102	4.1
71.05004	7.5
71.08606	0.9
79.05500	8.9
81.03370	1.0
81.07056	22.3
83.04958	1.2
83.08574	4.1
85.06492	2.6
91.05475	8.8
93.07038	19.1
95.04933	2.1
95.08605	17.3
97.06526	1.1
97.10100	3.2
103.05402	1.4
105.07032	13.1
107.04884	2.2
107.08589	15.8
109.06460	2.6
109.10147	11.3
111.03564	0.9
111.04386	0.9
111.08070	5.1
113.09604	1.3
117.06929	2.5
119.07808	1.1
119.08582	13.4
121.10149	12.1
123.11711	5.2
125.09599	1.2
129.06973	2.2
131.04895	2.3
131.08578	6.3
133.10133	8.8
135.11688	8.7
137.05978	6.6
137.09492	1.6
143.08469	2.7
145.10141	7.3
147.11707	6.6
149.09532	3.1
149.13274	10.2
150.65089	0.9
151.03754	0.9
151.07582	1.0
151.11139	1.6
157.10023	3.6
159.11707	10.8
161.13258	4.8
163.07474	1.1
163.11108	2.6
163.14835	5.9
169.10118	1.0
171.11577	2.6
173.13255	7.4
175.14737	3.6
177.12701	1.0
185.13228	2.6
186.84473	0.8
187.07385	1.7
187.14812	5.0
189.09125	1.0
189.16284	3.5
191.17941	6.3
199.14728	1.8
201.16241	4.0
203.17847	1.6
211.14848	1.1
213.16273	3.5
215.17857	2.2
217.08568	1.0
217.19328	1.1
225.16168	1.3
227.06880	1.6
227.17824	3.2
241.19363	1.6
243.20834	0.9
248.08382	1.2
249.18546	1.0
255.06377	1.1
257.22647	4.2
263.10443	1.6
267.20950	1.3
270.08759	1.0
271.09512	1.4
271.24088	1.0
277.21472	1.7
281.26550	3.0
283.24203	6.6
291.09885	2.6
299.27621	2.6
305.20901	2.2
309.24072	1.0
323.12500	3.2
323.27396	7.1
341.13516	3.2
341.26416	100.0
342.26709	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
55.01865	5.1
55.05264	3.4
55.05513	38.5
57.03428	9.6
67.05508	25.8
69.03416	4.4
69.07082	11.6
71.04986	5.3
71.26568	4.6
79.05490	26.6
81.03401	7.8
81.07059	100.0
83.04962	7.0
83.08617	20.4
85.06532	3.3
91.04973	2.1
91.05466	14.3
93.07061	19.3
95.04970	9.6
95.08612	27.1
97.06528	5.3
97.10181	27.7
99.08103	52.7
105.07037	11.1
107.04948	5.9
107.08615	17.9
109.06516	8.3
109.10175	10.3
111.08077	3.6
117.06993	4.3
119.08591	7.1
121.06504	3.3
121.10184	4.9
123.08069	22.1
125.09627	31.0
129.07021	2.6
131.08566	5.2
133.10115	8.8
135.08072	7.6
135.11682	5.8
137.05983	3.5
137.09642	5.9
139.07513	2.7
139.11154	3.4
141.09085	5.5
145.10130	10.2
147.08072	2.8
147.11697	2.9
149.09680	3.4
153.09102	3.9
155.08415	2.8
157.10167	5.0
159.11743	4.9
161.09572	2.8
163.11179	8.8
165.09216	4.9
171.10208	3.0
175.11214	2.8
179.14252	2.0
187.11292	2.9
189.11235	8.4
190.81071	2.4
193.12253	5.6
197.11761	2.4
203.12785	21.9
221.15312	3.2
237.14903	6.2
251.16475	2.9
273.18521	14.4
291.16479	4.6
291.19559	48.3
291.22830	2.9
305.20975	10.9
309.20523	3.9
323.12970	2.3
323.22235	21.7
341.21185	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	341.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01862	11.1
55.05513	42.6
56.96566	47.3
57.03424	10.8
59.05000	3.5
67.05507	53.4
69.03416	9.7
69.07073	17.2
70.98133	27.5
71.04989	8.2
71.57047	5.0
73.06537	3.2
79.05491	43.4
80.59866	2.6
81.03432	18.4
81.07062	56.0
83.04969	11.8
83.08620	27.4
88.99151	6.0
91.05478	32.2
93.07047	50.6
95.04979	33.4
95.08610	100.0
97.06521	11.0
97.10165	42.9
98.97585	5.4
105.07037	32.3
107.04939	8.7
107.08593	37.0
109.06482	10.2
109.10147	23.2
111.04476	4.2
111.08069	10.9
115.00677	4.4
117.06996	9.4
119.08575	23.2
121.06489	6.3
121.10163	19.1
123.07190	5.3
123.08064	72.2
123.11685	9.9
125.09631	45.7
129.06998	8.2
131.00049	4.3
131.04915	4.5
131.08563	10.6
133.02867	3.1
133.10136	30.8
135.08052	11.4
135.11679	8.5
137.06006	23.5
137.09599	12.2
139.11179	5.2
142.99997	3.1
143.08495	4.5
145.10104	12.8
147.08055	6.2
147.11658	9.8
149.09644	6.8
151.03912	5.9
151.07507	5.1
151.11201	17.7
153.02144	4.7
153.09105	7.6
155.03781	5.4
157.10091	7.6
157.12234	3.9
159.11707	6.8
161.09573	4.2
161.13234	4.0
163.07637	3.7
163.11180	7.9
165.09140	11.3
169.05426	6.8
169.12265	7.5
171.03299	6.9
171.10271	2.9
171.11652	5.6
173.04851	10.8
173.09663	4.0
173.13261	4.6
175.07445	2.9
175.11223	4.6
177.08922	3.0
179.10616	4.2
183.13777	8.8
184.12775	3.5
187.06314	7.2
187.13251	17.7
188.74174	3.3
189.11215	8.9
193.12183	14.9
201.07759	4.0
203.12817	26.2
211.13237	8.8
223.09998	23.7
223.13243	5.0
225.14798	5.3
229.14311	2.9
239.09602	4.4
241.11104	17.1
245.18848	3.6
248.08426	4.2
249.18599	3.2
255.17326	6.8
263.10693	5.3
263.20007	3.8
269.10654	4.9
271.09726	4.6
273.18494	37.2
281.10513	7.5
291.10199	9.4
291.19537	50.8
299.08270	6.0
299.11642	79.0
300.12097	4.0
305.21075	21.4
309.20398	6.8
317.12704	29.7
322.13342	13.4
323.13040	6.9
323.22244	27.1
341.14072	8.8
341.21860	3.4
341.28595	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	341.1386
Annotation	(+-)-5-Deoxykievitone
Peak:m/z	Relative Intensity
52.51419	0.5
55.01872	0.6
55.05502	1.9
56.96544	0.7
57.03444	0.6
65.03939	2.1
67.05511	1.7
69.03432	0.7
69.07061	1.2
69.76180	2.2
79.05495	2.8
81.03410	0.5
81.07054	2.1
83.05007	0.6
83.08624	0.6
91.05477	3.1
93.03405	2.2
93.07043	1.6
94.04189	3.0
95.04974	2.0
95.08591	1.7
97.06535	0.8
97.10175	1.4
98.20818	0.6
98.97620	0.7
103.05452	1.8
105.07017	1.6
107.04952	1.1
107.08604	1.3
109.06522	3.1
109.10154	1.0
110.03666	0.6
111.04448	2.0
115.05504	0.9
117.07052	1.0
119.04945	1.1
119.08610	1.3
121.10130	1.0
122.03653	8.2
123.08111	0.7
125.06008	3.4
125.09628	1.1
128.06221	6.0
129.07014	15.8
130.07704	0.4
131.04916	4.4
131.08597	1.2
133.02879	1.1
133.06535	1.3
133.10136	0.8
135.08054	1.0
137.05984	100.0
143.04968	0.7
145.06485	1.8
145.10132	0.8
146.03671	0.6
146.07259	0.8
147.04416	1.6
147.08076	0.9
151.03912	14.8
151.05103	1.1
151.07561	3.0
153.05479	3.6
155.06023	0.7
157.06503	21.0
158.07323	0.6
160.05197	0.9
161.06007	2.9
161.09589	0.5
162.06725	1.1
163.07538	5.0
165.05472	1.0
174.06764	5.1
175.07550	2.7
177.05589	0.6
177.09163	1.0
185.05981	5.5
187.07559	1.8
188.08397	0.8
189.09108	13.3
192.09357	0.6
199.07507	0.9
202.06210	0.5
202.07860	1.5
203.06958	0.5
203.08588	8.0
203.12775	1.1
205.08597	3.6
217.08614	18.4
218.07217	0.5
219.08063	1.7
220.08784	2.7
221.09641	1.0
229.14354	0.8
231.08047	8.2
232.08914	2.0
233.06049	1.0
233.09535	0.5
240.07971	0.6
247.07608	1.8
248.08344	7.5
249.09056	1.0
251.10611	0.9
259.07623	4.1
260.08542	0.9
261.09152	0.7
263.10690	10.6
265.08618	1.2
269.08090	1.1
270.08826	0.5
273.18573	1.6
276.07870	3.4
277.08621	2.0
279.10175	1.9
281.10962	0.6
284.10373	0.6
291.10159	24.2
291.19598	2.1
292.10944	2.0
293.08167	1.5
294.08878	0.5
296.10327	0.6
299.11621	0.8
305.21243	1.4
308.10358	2.9
309.11133	1.1
311.12689	1.5
313.14490	0.8
323.12793	12.2
341.13779	14.2
341.19968	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0868
Annotation	AESCULIN
Peak:m/z	Relative Intensity
55.01875	0.2
56.96556	0.3
57.03422	0.3
60.52501	0.1
61.02916	0.3
68.99785	0.7
69.03423	1.1
69.63033	0.6
69.63446	0.3
70.06575	0.5
71.04987	0.3
73.00282	0.1
73.02879	0.2
81.03413	1.0
81.07069	0.3
84.04532	0.1
84.08118	0.3
84.95985	0.1
85.02911	0.8
86.09634	0.2
91.03911	0.2
91.05476	0.3
97.02908	0.3
97.06514	0.2
98.97589	0.5
99.04500	0.2
105.03306	0.1
105.07066	0.2
107.08607	0.2
109.02876	0.2
111.04429	0.7
113.03478	0.4
116.98594	0.2
122.03612	0.2
123.04425	0.5
127.03930	0.3
131.04909	0.3
133.02847	0.6
133.07629	0.2
137.02339	0.3
137.05971	1.8
147.04390	0.2
151.03920	0.2
155.03371	0.3
158.99733	0.2
161.02390	0.3
161.07063	0.3
161.09674	0.2
163.07428	0.1
163.08710	0.2
172.05138	0.2
175.07509	0.2
179.03392	100.0
180.03711	0.4
187.07542	0.6
188.06934	0.1
189.06622	0.2
189.09106	0.2
203.08488	0.2
207.04665	0.2
207.07649	2.9
211.07764	0.1
227.07092	0.3
247.07584	0.2
248.08418	0.3
259.07339	0.2
263.10519	0.4
270.08911	0.3
271.09619	0.3
283.09613	0.2
290.03271	0.1
291.10162	0.8
305.11057	0.2
311.12769	0.2
323.12622	1.7
337.73599	0.1
341.12582	1.4
341.22485	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0868
Annotation	AESCULIN
Peak:m/z	Relative Intensity
51.02386	0.2
53.03933	0.3
56.96564	0.2
57.03432	0.2
59.14509	0.2
61.02895	0.2
63.55048	0.2
69.03419	0.8
71.25465	0.4
79.05469	0.2
81.03417	0.5
85.02898	1.6
89.03909	0.5
93.06977	0.2
96.84403	0.2
97.02888	0.8
98.15529	0.2
99.74972	0.2
105.03381	0.4
107.05029	0.2
109.02865	0.5
110.46118	0.2
117.03369	0.2
123.04430	9.5
125.69699	0.2
133.02856	8.3
135.04373	1.5
137.05945	0.2
151.03903	3.8
179.03391	100.0
180.03738	0.7
183.14177	0.2
209.51595	0.2
214.97330	0.2
268.55807	0.2
291.09967	0.3
341.08502	1.1
341.12311	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40304	0.7
56.96565	1.8
68.98286	2.9
69.86574	0.9
71.06418	1.5
81.03407	2.5
82.99862	2.2
84.00609	0.8
85.01412	8.4
86.99327	1.5
94.99857	0.7
97.01403	1.7
98.97582	10.6
101.00874	7.8
102.01667	2.7
103.02451	11.0
113.00876	3.8
115.02427	7.5
116.98602	3.8
119.01920	6.4
120.02711	0.8
121.01353	1.5
121.03462	2.0
125.00887	1.4
127.02429	8.6
129.03989	1.6
131.01913	5.0
133.03468	64.1
134.03619	0.9
139.02403	8.8
141.03984	2.3
143.01872	4.2
145.03455	19.2
149.00838	0.9
151.04514	11.6
153.04007	1.3
155.01863	1.0
156.05153	0.9
157.03464	11.9
159.05026	1.4
161.02959	12.6
163.04527	1.2
164.97035	3.2
165.97748	0.9
167.01901	14.8
169.03448	6.2
171.05037	21.0
174.97612	1.5
175.04523	35.3
179.00645	0.7
182.98094	6.2
183.05055	3.0
185.02945	22.6
185.06587	0.7
187.04544	11.0
187.38168	0.7
189.06091	8.7
195.98859	12.0
196.99693	0.9
199.04497	5.1
201.06073	41.9
203.03955	3.1
208.99608	1.5
211.04588	2.0
212.96927	0.8
212.99161	1.1
213.06116	3.8
213.99962	3.4
216.98773	3.8
217.05577	14.5
219.02026	1.6
220.99654	4.0
227.00600	1.4
227.97823	1.4
230.98151	8.8
231.00253	1.5
232.03275	0.9
234.99730	2.7
235.06699	1.1
238.82510	0.9
239.00682	10.0
241.05533	5.8
248.99181	11.1
253.02243	7.3
256.96631	2.0
258.99792	2.2
261.03018	1.2
263.02890	1.0
267.00195	19.9
267.02884	1.5
269.01831	1.0
274.97668	3.3
277.00790	0.9
281.01764	44.9
283.00000	1.0
285.01208	4.3
298.97751	5.5
305.01736	10.5
313.29016	0.9
316.98834	6.7
323.02881	5.9
341.03870	100.0
342.03897	2.0
358.99939	3.4
359.04904	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	340.2847
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
52.93937	0.5
53.03946	0.8
53.96645	0.5
55.05270	0.7
55.05513	11.8
56.05008	1.3
56.59766	0.6
57.03430	0.6
57.07080	2.8
59.99574	0.5
60.04528	30.3
67.05169	0.8
67.05504	8.5
69.03431	0.6
69.07068	18.1
70.68449	0.8
70.68783	1.1
71.04974	0.9
71.08614	1.6
71.76905	0.5
79.05478	2.5
81.07061	13.3
83.04969	0.7
83.08143	1.0
83.08620	15.7
91.05488	3.4
92.48260	0.6
93.07053	4.2
95.08047	0.9
95.08607	11.3
97.06532	1.4
97.10168	9.2
99.08112	0.6
99.77602	0.5
105.07038	3.4
107.08595	2.3
109.10159	7.6
111.08042	0.7
111.11720	1.7
119.08577	4.2
121.10126	2.5
123.08095	1.0
123.11695	2.5
128.14291	0.8
133.10129	4.4
135.11697	1.3
137.09604	2.2
137.13248	1.0
142.15913	10.3
146.23228	0.5
147.11673	2.4
149.13258	0.9
151.11151	2.0
154.12265	4.7
156.17447	0.5
161.13239	2.4
163.14786	0.6
167.14229	0.6
172.13348	3.4
175.14796	1.4
177.02667	0.5
179.14343	0.7
182.18996	1.1
184.16887	0.8
193.15802	0.8
193.75905	0.5
225.41074	0.5
245.22620	2.7
263.23703	4.8
269.27466	0.5
280.26334	10.9
298.27390	13.8
322.27399	2.1
340.28464	100.0
341.28329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
53.83939	1.2
55.05510	10.2
56.05040	5.6
57.07061	1.5
58.02969	11.3
58.06598	5.3
60.04510	3.2
67.05508	22.3
69.07072	27.1
70.06596	65.0
70.22793	1.1
71.04992	1.6
71.08627	1.5
79.05491	7.1
81.07064	30.2
82.06581	9.1
83.08634	6.0
84.04507	20.1
84.08131	3.4
86.09711	2.8
87.04427	1.6
91.05514	2.2
93.07052	7.4
94.06561	3.3
95.08614	34.1
96.08119	5.4
97.10172	3.2
105.07020	2.1
107.08583	3.5
109.10165	10.2
111.11703	1.4
117.07021	1.6
119.08616	1.6
120.43725	1.0
121.10152	4.9
123.08080	1.4
133.10092	2.3
135.11674	4.3
140.14398	2.7
145.10109	2.3
151.14818	3.3
152.14360	6.2
154.12202	1.1
162.12785	7.1
163.11148	2.7
164.61743	1.1
168.17488	100.0
180.13837	18.9
198.14897	95.2
226.17992	3.2
263.23633	1.7
265.76038	1.2
280.26355	1.4
298.27484	2.2
322.27493	4.5
323.26062	1.5
340.28503	65.4
340.39441	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	340.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.8
54.96239	1.5
55.01880	9.4
55.05513	18.3
57.03432	5.9
57.07063	3.1
65.03934	2.9
67.05508	61.9
69.03436	7.5
69.07079	13.5
69.80080	8.9
71.04981	2.5
73.06551	1.9
76.42068	1.5
77.44963	1.7
79.05495	26.5
81.03399	3.7
81.07059	77.8
83.04981	24.7
83.08610	5.6
85.06540	8.2
91.05485	46.1
93.07049	32.3
95.04958	7.9
95.08622	14.3
97.06527	3.9
97.10180	3.0
98.20795	2.1
99.08068	2.8
100.50473	1.6
105.07037	46.5
107.04974	4.5
107.08605	45.4
107.42358	1.8
109.06513	6.3
109.10162	61.4
111.08126	3.1
117.07001	6.4
119.08574	11.6
121.06520	5.6
121.10166	6.0
123.08078	6.6
123.11722	15.2
127.07541	1.6
131.08600	10.6
133.06523	4.8
133.10133	93.3
135.08057	5.4
135.11681	2.8
143.08533	2.1
145.10158	6.6
147.08115	3.5
147.11763	2.6
149.09653	7.8
151.11183	100.0
157.10156	2.4
159.08043	2.9
159.11673	2.4
161.09653	4.8
163.11163	2.5
171.11800	4.3
175.11172	3.8
177.09125	10.7
179.10687	9.0
181.12254	1.9
183.13795	31.2
189.12823	1.8
211.13258	2.9
211.15092	1.8
218.66890	1.7
229.14485	4.4
240.51743	1.9
245.18982	5.4
247.06129	1.9
255.17456	3.2
261.35806	1.8
263.20047	3.9
273.18497	17.0
291.19528	17.9
305.21149	22.1
323.22180	3.9
340.19366	9.8
340.35889	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
55.05509	16.7
55.40835	0.8
63.26278	0.7
67.05502	3.3
69.03433	5.4
69.07064	2.6
70.06593	1.3
71.35281	1.7
72.44227	0.9
79.05497	2.3
81.07079	4.8
82.06570	2.2
83.04978	1.4
83.08620	16.4
84.08142	4.4
85.02900	6.0
93.07060	1.0
97.02892	1.5
97.10172	39.6
97.56616	0.9
97.95411	0.8
98.97601	1.5
102.67155	0.8
105.13809	1.0
107.08583	5.5
125.09629	57.7
137.05959	1.9
143.10670	100.0
156.08206	0.9
158.99635	1.0
161.11731	14.0
190.47987	1.0
212.16612	1.0
215.03156	0.9
221.88699	0.7
233.54991	1.0
282.69867	1.2
340.21439	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	340.1027
Annotation	6-hydroxyindole-3-carboxylic acd 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03928	0.3
55.01851	0.4
55.05511	1.0
56.96551	0.3
57.03440	0.7
59.04995	0.2
61.02924	1.2
65.71817	0.1
67.05489	0.3
69.03431	3.2
69.07052	0.6
69.28394	0.5
69.28816	0.8
70.06599	0.7
71.04974	0.5
72.08154	0.3
73.02899	0.6
74.38761	0.2
79.05479	0.5
81.03429	1.2
81.07054	0.4
83.01297	0.2
83.08608	0.6
84.04487	0.2
84.08128	0.7
85.02902	7.0
86.09713	0.5
87.04457	0.6
91.03938	0.4
91.05467	0.4
93.07057	0.2
95.04967	0.2
95.06040	0.2
97.02300	0.2
97.02894	2.6
97.06508	0.2
97.10165	1.8
98.97605	0.7
99.04450	0.4
100.11246	0.3
100.99286	0.1
103.05450	0.2
104.04980	0.4
105.03391	0.2
105.07015	0.2
107.08581	0.6
109.02219	0.1
109.02873	0.8
110.07139	0.3
110.97563	0.3
111.05583	0.2
112.05064	0.2
120.08076	0.3
122.06011	0.4
125.09620	1.8
127.03935	1.4
127.04752	0.3
129.10272	0.2
130.04974	0.4
132.04445	4.7
135.11664	0.1
136.06184	0.3
137.05997	0.9
143.10672	3.3
145.04950	1.1
158.99620	0.5
160.03868	0.2
161.09634	0.2
161.11703	0.8
177.00703	0.2
178.04988	100.0
179.05270	0.7
179.06744	0.1
187.07597	0.2
203.08582	0.2
205.30130	0.1
211.13229	0.2
227.06879	0.2
247.07507	0.2
259.08353	0.3
270.08780	0.2
271.09680	0.5
291.10059	0.3
322.16299	0.2
322.24908	0.2
323.12842	0.5
340.10373	1.6
340.13910	0.4
340.17578	0.3
340.21909	0.3
340.25885	0.5
341.14258	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2532
Annotation	2,6,10,14-Phytatetraene-1,16,18,20-tetrol
Peak:m/z	Relative Intensity
55.01871	9.7
55.05512	36.8
56.96553	5.9
57.07075	13.7
67.05508	46.5
69.03432	7.4
69.07069	33.5
69.75608	25.0
71.05016	11.5
71.08636	27.1
73.06560	82.8
79.05496	30.8
81.03381	5.3
81.07063	75.4
83.05011	5.5
83.08619	15.6
85.06552	11.2
91.05480	24.4
91.21960	4.1
93.07043	40.5
95.04968	18.2
95.08623	62.5
97.06538	11.3
97.10185	12.9
98.97568	11.8
99.08094	26.2
102.48891	5.1
105.07047	43.3
106.03896	5.3
107.04987	6.3
107.08602	34.9
109.06514	46.2
109.10175	26.1
111.08077	8.5
117.07011	9.5
119.08602	27.1
121.06522	13.6
121.10150	19.5
123.08037	11.9
123.11723	8.2
125.09599	5.8
131.08553	14.4
131.92741	5.0
133.10155	28.2
135.08064	16.8
135.11697	8.8
137.09619	11.0
139.11208	9.9
139.68918	4.5
143.08595	6.1
145.10176	12.2
147.08080	6.2
147.11685	13.2
149.09634	8.6
151.11166	13.0
157.10132	6.2
159.11673	11.5
161.09637	8.0
161.13271	7.5
165.12764	65.2
173.13260	6.0
177.12769	11.2
181.15906	16.3
183.11685	5.4
183.13866	6.2
191.14410	5.8
257.19327	5.1
261.22174	18.7
271.20425	6.4
274.97519	9.2
275.20135	34.0
279.23251	16.5
289.21622	100.0
292.98737	5.6
307.19263	9.2
307.22607	49.7
318.42529	4.9
321.24252	98.8
339.27689	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	339.253
Annotation	2,6,10,14-Phytatetraene-1,16,18,20-tetrol
Peak:m/z	Relative Intensity
53.03945	6.6
55.01859	7.2
55.05510	33.3
57.03441	9.2
57.07074	10.5
59.04995	4.1
67.05506	65.5
68.05833	4.1
69.07074	33.1
71.04998	15.7
71.56786	7.1
73.06569	63.7
79.05498	43.2
81.07065	100.0
82.07379	5.8
83.04969	12.0
83.08611	21.8
85.06530	9.5
91.05491	37.0
93.07044	43.8
95.04971	18.0
95.08618	57.4
97.06540	16.4
97.10143	8.4
105.07027	46.0
107.04962	7.5
107.08598	32.0
108.35023	4.6
109.06524	14.6
109.10169	30.9
111.08080	11.6
117.07008	12.9
119.08586	44.6
121.06467	7.9
121.10126	25.3
123.08068	10.5
123.11698	12.2
125.09644	6.4
129.07027	5.7
131.08565	23.3
133.10141	33.6
135.08073	10.7
135.11687	15.5
137.09602	13.4
137.13235	5.1
143.08554	4.6
145.10123	19.7
147.11696	24.8
148.39896	3.9
149.09605	16.3
149.13231	7.0
151.11209	8.2
157.10095	5.4
157.22479	4.5
159.11705	14.0
161.13246	8.4
163.11201	10.4
165.12732	9.1
173.13210	8.2
175.11102	4.3
188.90126	4.3
197.13188	6.3
213.16313	6.9
215.25632	4.3
229.19542	7.8
235.16991	4.8
239.17955	8.2
247.20593	9.3
257.19028	13.7
275.20105	86.8
279.23206	5.3
289.21625	33.2
295.22800	10.2
303.18814	4.9
307.22607	41.8
321.24304	11.6
323.56393	4.9
339.19278	6.7
339.28519	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	339.253
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03940	0.9
55.01864	0.7
55.05514	38.8
56.96559	1.4
57.03435	1.4
57.07076	1.4
60.24433	0.6
65.16197	0.6
67.05508	6.9
69.03432	1.2
69.07068	12.7
69.75038	3.1
71.04986	0.8
71.98649	0.5
73.02903	0.5
79.05500	3.3
81.07065	14.1
83.04971	1.0
83.08618	2.9
85.02949	0.6
85.06539	1.7
87.08131	1.4
91.05470	2.9
93.07047	6.6
95.04990	1.7
95.08611	17.1
97.02908	0.5
97.06538	1.6
97.10175	100.0
98.10469	0.9
98.21420	0.8
98.97591	1.9
99.08073	0.7
105.07034	5.7
107.08607	7.5
109.06519	1.2
109.10169	7.3
111.08088	1.6
115.07606	0.7
117.07011	0.7
119.08595	7.0
121.06551	0.8
121.10152	4.4
123.08076	1.7
123.11698	2.5
125.09636	18.7
131.08603	1.5
133.10133	3.4
135.08095	0.6
135.11699	5.3
137.05983	2.0
137.09639	1.5
137.13301	0.7
139.11180	0.8
143.10680	45.1
145.10159	2.0
147.11723	3.3
149.13257	3.3
149.32224	0.5
151.11209	0.8
151.14865	1.9
157.10208	0.7
159.11702	2.7
161.13306	3.4
163.11159	0.6
163.14861	1.3
165.12772	1.9
167.10628	0.6
171.10153	7.9
173.13264	1.1
175.11301	0.5
177.05453	0.7
177.12836	1.0
186.45869	0.5
187.14867	2.1
189.11235	10.7
189.12811	0.6
191.07033	1.9
201.16498	0.5
215.07053	1.7
247.20613	1.3
257.22879	0.6
259.08319	0.6
274.97464	0.8
275.23840	1.1
277.21631	1.6
279.16296	0.6
285.22079	1.5
289.17917	0.8
291.23325	0.7
303.15961	3.5
303.23190	7.6
309.24237	5.1
321.17041	8.8
321.24246	19.4
339.18182	8.4
339.25134	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	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03923	1.7
55.01863	0.9
55.05512	47.8
56.96557	2.8
57.03431	2.6
57.07071	3.2
59.04982	0.7
67.05503	7.7
69.03426	2.9
69.07071	19.0
70.56761	2.1
71.04991	1.5
71.08641	0.8
73.02917	0.9
79.05485	5.7
81.03418	1.4
81.07059	24.2
83.04977	1.7
83.08179	0.7
83.08633	4.6
84.55277	0.7
85.02943	1.4
85.06540	3.2
87.04449	0.9
87.08104	1.0
91.05482	4.2
91.33626	0.7
93.07053	7.9
95.04973	2.0
95.07993	1.2
95.08608	33.5
97.06537	5.1
97.10169	100.0
98.97571	4.2
99.08073	1.2
101.06026	2.2
103.05473	1.3
105.07041	6.1
107.08598	9.5
109.02874	0.9
109.06519	2.1
109.10147	10.1
111.08102	1.8
111.11724	1.3
116.98621	1.3
117.06986	1.3
119.04924	1.0
119.08595	6.8
121.06525	1.8
121.10155	6.3
123.08099	2.1
123.11733	6.4
125.09634	16.5
127.11256	0.9
131.04903	2.3
131.08551	2.7
133.10098	4.1
134.99644	0.7
135.08115	0.9
135.11693	4.5
137.05954	2.4
137.09653	2.7
137.13240	2.4
139.11186	3.0
141.09084	1.5
143.10677	39.2
145.10115	2.7
147.08038	0.8
147.11691	4.3
149.09593	1.2
149.13235	5.1
151.07611	1.6
151.11192	1.2
151.14859	5.4
155.10645	1.3
157.12222	1.9
159.11713	3.1
161.13239	4.3
163.04143	0.7
163.07510	1.1
163.11226	0.7
163.14818	0.9
165.09157	1.3
165.12770	2.9
167.14366	1.5
171.10188	3.8
171.11488	1.0
173.11877	1.0
173.13324	1.9
175.14792	1.8
177.12733	2.4
179.14346	4.5
187.14771	1.9
189.09557	1.4
189.11211	10.7
189.16391	0.8
193.08636	1.6
195.13774	1.5
205.15865	1.0
274.97461	0.8
275.23776	2.5
277.21646	1.3
285.22263	1.9
293.24811	1.7
303.23132	8.7
309.24240	1.2
321.24252	39.1
339.18362	0.8
339.25299	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	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03935	0.9
55.05512	37.5
57.03436	1.8
57.07068	2.2
67.05509	5.2
67.53477	0.7
69.03429	1.6
69.07066	15.9
69.76849	3.9
71.04993	1.2
71.08617	1.0
73.06554	0.8
79.05498	2.5
81.07056	20.9
81.43120	0.8
83.04980	1.2
83.08616	3.8
85.06554	2.1
91.05490	2.4
93.07035	7.2
94.08688	0.6
95.04980	1.5
95.08606	25.5
97.02299	0.8
97.06540	2.2
97.10170	100.0
97.13610	0.7
99.08073	1.6
101.06020	1.1
105.07034	4.5
107.08596	7.6
109.06497	1.0
109.10159	10.7
111.08094	2.1
111.11700	1.3
119.08567	5.1
121.10157	4.6
123.08061	1.8
123.11711	6.1
125.05980	0.7
125.09628	16.4
133.10107	2.7
135.08107	0.7
135.11714	2.8
137.09621	2.4
137.13261	2.2
139.07607	0.8
139.11186	3.3
141.09093	1.5
143.10675	34.3
145.10112	2.1
147.11678	3.4
149.13257	5.0
151.07578	1.4
151.11192	1.1
151.14813	5.0
155.10611	0.7
157.12245	1.4
159.11682	2.3
161.13290	4.9
163.11176	1.2
165.09093	3.3
165.12778	2.9
167.14331	2.9
171.10158	6.4
173.13292	1.0
177.12830	2.3
179.10730	0.7
179.14273	3.8
187.14828	0.8
189.11189	5.9
195.13857	1.8
203.18016	1.2
209.15404	0.8
219.17427	1.1
229.19437	1.0
257.22745	1.2
267.09113	1.6
275.23773	2.4
277.21719	0.9
285.10226	1.2
285.22162	1.7
293.24747	2.1
293.74863	0.8
303.23203	8.6
309.24319	2.3
321.24240	47.7
322.24573	1.1
335.67169	0.8
339.25330	5.8
350.40076	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03934	2.1
55.01858	1.3
55.05513	43.3
56.96566	1.5
57.03429	2.6
57.07088	4.1
59.04998	0.7
61.02939	1.1
63.20362	0.7
67.05509	11.6
69.03437	3.4
69.07071	24.5
70.88956	1.2
71.05009	3.0
71.08624	0.9
73.02921	1.2
79.05486	5.4
81.03416	1.5
81.07062	29.2
83.04991	1.5
83.08624	5.4
84.08162	1.2
85.02922	1.5
85.06541	2.8
87.08144	0.6
91.05482	5.2
93.07047	11.7
95.04971	6.6
95.08608	38.4
97.02901	1.0
97.06554	4.9
97.10173	100.0
98.97587	2.5
99.04465	1.2
99.08086	1.6
99.66253	0.7
101.06030	1.2
103.05436	0.9
105.07043	7.3
107.05021	0.8
107.08602	11.2
109.02821	0.8
109.06523	1.8
109.10162	18.5
111.04468	1.0
111.08074	1.3
111.11710	1.5
113.09699	0.8
116.98605	0.9
117.07019	0.8
119.04984	0.8
119.08576	8.3
121.06544	1.7
121.10141	10.1
123.04430	0.8
123.08076	2.5
123.11710	9.5
125.06057	0.7
125.09641	17.7
131.08606	2.3
133.10121	5.0
135.08040	2.1
135.11684	5.2
137.06003	1.8
137.09616	11.3
137.13278	2.3
139.11217	3.8
141.09125	1.5
143.10680	39.4
145.02921	0.8
145.10155	2.8
147.08072	1.5
147.11696	5.0
149.09656	1.9
149.13281	4.6
151.07570	1.6
151.11177	1.9
151.14862	4.8
153.01816	4.3
153.09102	0.8
153.12740	1.9
155.10634	1.6
157.12225	1.7
158.35173	0.7
158.99657	1.2
159.11745	3.1
161.09622	1.1
161.13260	4.4
163.03983	0.8
163.07542	0.8
163.11212	1.3
163.14836	1.9
165.09125	17.6
165.12799	2.2
167.14299	2.0
169.10316	0.7
171.10156	4.4
171.11542	1.0
173.13281	1.8
175.14816	1.0
177.05478	1.1
177.12781	2.4
177.16412	0.9
179.10699	2.4
179.14326	2.9
181.12215	0.9
183.10199	1.9
187.07593	2.0
187.14827	1.2
189.05446	1.0
189.11247	9.0
189.12775	1.0
189.16437	1.2
191.14375	0.8
193.12173	0.7
193.15897	0.9
195.10146	0.7
195.13826	1.9
201.16426	0.7
205.15974	0.7
219.08031	1.1
219.17447	1.0
221.19029	1.2
233.11729	0.9
245.28600	0.7
247.07491	1.0
247.16957	0.7
251.10803	1.3
254.09341	0.7
257.22769	0.7
258.09406	0.9
265.08588	1.3
275.23840	1.9
277.21634	1.9
279.10257	1.8
281.08084	1.0
282.05121	1.1
285.10172	1.0
285.22079	1.7
293.24805	2.2
295.09460	0.8
295.22943	0.8
296.10446	3.5
297.11267	1.1
303.23199	9.7
307.09689	1.3
309.24323	1.1
311.05652	1.0
311.12915	3.7
321.24240	44.9
323.05453	0.7
339.08658	16.7
339.12378	4.2
339.18448	0.9
339.25378	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	339.2532
Annotation	2,6,10,14-Phytatetraene-1,16,18,20-tetrol
Peak:m/z	Relative Intensity
53.03936	6.7
55.01850	10.6
55.05515	49.8
56.96560	6.2
57.03434	9.2
57.07079	5.8
59.04999	9.4
64.18318	3.7
67.05506	92.3
69.03430	9.9
69.07075	38.9
70.67509	10.4
71.04998	27.0
73.06541	4.3
79.05496	66.4
81.03415	10.0
81.07057	100.0
83.04972	15.0
83.08627	31.2
85.02917	7.6
85.06554	9.6
86.13839	3.4
91.05479	69.7
93.07043	73.0
95.04981	23.0
95.08607	76.6
97.06539	23.3
97.10175	13.9
98.97588	27.4
99.08124	8.2
105.07026	77.8
107.04959	10.3
107.08603	56.6
109.06512	22.1
109.10161	49.4
111.08073	17.2
113.50180	3.6
115.07510	4.2
116.98617	12.4
117.07024	18.1
119.07796	6.2
119.08592	73.9
121.06509	18.3
121.10134	40.1
122.52583	3.4
123.08072	28.3
123.11730	16.6
125.09616	17.8
129.07030	8.9
131.08560	45.2
133.06476	4.7
133.10138	70.4
135.08051	21.3
135.11700	22.7
137.09630	18.0
137.13284	4.1
139.07529	5.6
139.11186	10.8
143.08551	9.1
145.10130	40.6
145.18205	3.7
147.08054	6.5
147.11697	32.8
149.09633	21.9
149.13260	19.3
151.07515	5.1
151.11230	17.4
153.09135	5.1
157.10120	12.9
159.08084	3.9
159.11696	35.4
161.09604	12.0
161.13257	18.9
163.11160	12.6
163.14830	4.5
169.10191	3.8
171.11678	12.7
172.94205	3.2
173.13283	15.8
175.11171	5.6
177.05438	3.3
177.12749	8.6
179.10628	5.4
179.14345	4.0
183.11691	7.4
183.13750	6.7
185.13232	5.2
187.11191	4.0
189.12711	4.2
189.16571	4.1
197.13275	7.5
201.12895	3.5
201.16408	4.2
205.61398	3.5
209.15379	3.3
213.16428	4.5
229.19556	16.0
231.17465	5.2
233.18973	5.4
239.17941	12.2
247.20570	30.5
256.96375	7.5
257.18939	19.2
263.20056	9.6
271.16919	5.4
273.18524	5.6
274.97510	27.6
275.20102	90.7
279.19528	5.3
283.16934	7.7
289.17978	20.1
289.21600	54.3
289.24683	6.4
292.98581	15.0
295.22549	4.0
297.98999	4.9
307.09174	3.9
307.19174	5.0
307.22507	32.8
321.20743	5.3
321.24176	64.8
339.21689	5.6
339.25330	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	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03944	1.5
55.01858	0.7
55.05511	43.4
56.24281	0.6
57.03426	2.0
57.07071	2.1
57.45168	0.6
61.02921	1.5
66.03100	0.5
67.05504	6.0
69.03419	1.6
69.07069	16.8
70.74665	0.7
70.75036	1.4
71.04993	1.6
72.93782	0.9
73.02921	1.4
73.06530	0.6
77.07932	0.5
79.05487	2.4
81.03392	1.1
81.07061	20.1
81.10368	0.6
83.04987	1.2
83.08611	3.9
83.35777	0.5
85.02911	1.9
85.06546	1.9
87.08105	1.2
91.03963	1.7
91.05476	2.4
93.07043	8.0
95.04974	2.2
95.08611	24.7
97.02877	1.4
97.06525	2.4
97.10172	100.0
98.10500	0.8
99.04409	1.1
101.06000	0.8
105.07020	5.1
107.08595	7.7
109.06512	1.5
109.10164	9.0
111.08094	0.7
111.11743	1.2
117.07057	0.7
119.08588	6.0
121.10157	6.1
123.08063	1.2
123.11710	5.6
125.09631	16.6
127.11183	0.8
131.08604	1.5
133.10139	3.1
133.60066	0.6
135.11684	4.1
137.09645	1.9
137.13237	1.3
139.11183	2.3
141.09145	0.7
143.10677	41.9
144.11101	0.7
145.10172	1.7
147.11726	3.4
149.09665	0.9
149.13271	4.0
151.07527	1.4
151.11182	1.0
151.14799	4.5
153.09111	0.9
155.10687	0.8
157.12288	1.8
159.11713	2.0
161.13261	3.9
163.14850	0.8
165.12762	1.3
167.14339	1.4
168.92264	0.7
169.08485	0.6
171.10172	6.4
173.13278	1.1
175.14774	1.1
177.12852	1.0
179.14302	3.1
181.12195	0.8
187.14836	1.1
189.11241	9.0
195.13759	0.9
243.06444	0.6
248.94821	0.6
257.22812	0.8
258.08325	1.5
267.09195	1.1
267.21112	0.8
271.83963	0.5
275.23712	1.4
277.21664	1.7
279.44131	0.6
285.22214	1.9
293.24756	0.6
297.07864	1.1
303.23166	8.7
309.20996	0.6
309.24243	3.7
321.24252	33.5
322.24457	1.0
339.08578	1.3
339.12314	1.1
339.25385	6.7
353.10428	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03940	2.0
55.01860	1.3
55.05513	38.1
56.96559	1.6
57.03426	1.4
57.07086	1.1
61.02903	1.1
65.03945	0.5
65.59955	0.5
67.05505	7.5
69.03433	3.2
69.07069	14.1
69.29237	4.8
71.04994	1.9
73.02904	1.5
73.06564	0.5
73.67141	0.5
79.05492	4.4
80.05040	0.4
81.03420	2.2
81.07056	15.8
83.04984	1.9
83.08627	4.1
85.02908	2.1
85.06551	1.8
87.08113	1.0
91.03960	1.4
91.05482	3.7
91.11642	0.5
93.07047	8.8
95.04968	2.5
95.08607	18.0
97.02906	1.7
97.06516	2.9
97.10172	100.0
98.10527	0.6
98.97594	3.8
99.08084	1.2
101.06028	1.1
105.07030	7.2
105.12445	0.6
107.04932	0.7
107.08591	6.9
109.06535	1.2
109.10159	10.5
109.10848	1.0
110.97574	0.6
111.08087	1.4
111.11709	0.8
112.99102	0.6
113.06032	1.3
113.09704	0.8
117.07010	1.3
119.08582	7.2
121.06516	0.7
121.10146	5.1
123.08060	1.5
123.11718	3.4
125.05987	0.8
125.09637	16.2
127.03931	1.0
127.11208	0.6
127.17867	0.5
131.00151	1.1
131.08562	1.5
133.10153	4.0
135.04501	0.6
135.08037	0.8
135.11688	5.9
137.06009	1.5
137.09587	2.4
137.13269	1.2
139.11185	1.7
141.01878	0.7
141.05499	1.2
141.09222	0.6
143.01921	0.8
143.10678	39.5
145.10193	2.5
147.11667	3.7
149.01276	1.6
149.09613	1.3
149.13277	4.0
151.03940	1.1
151.07591	1.2
151.11221	0.9
151.14844	2.1
153.12733	0.6
155.10658	0.6
157.10185	0.6
158.99689	0.8
159.08072	0.6
159.11732	2.8
161.09683	0.7
161.13235	3.9
163.11247	1.7
163.14816	1.2
165.09120	2.4
165.12819	1.9
167.14346	0.8
169.10092	0.7
171.10141	5.1
171.11528	0.8
172.27780	0.5
173.13257	1.6
175.14815	1.2
177.00797	0.7
177.05472	1.1
177.12811	1.2
177.16457	0.6
179.14281	1.0
181.12242	0.7
185.13307	0.5
187.07661	0.6
187.14844	1.2
189.11212	9.9
192.06558	1.4
193.12329	0.6
201.16368	0.7
210.14957	1.0
215.07060	1.1
221.18982	0.5
225.45943	0.5
258.09384	5.0
258.59833	0.7
267.21017	0.7
275.23737	1.4
276.16064	0.7
277.21671	1.7
279.10284	0.6
285.22211	1.8
291.23175	0.9
295.87189	0.6
303.16058	0.6
303.23154	9.1
309.24274	4.5
321.17032	1.8
321.24255	18.8
330.11420	0.6
335.19052	0.6
339.08807	1.8
339.12344	4.7
339.18671	3.1
339.25424	5.7
339.62387	0.7
340.18964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2167
Annotation	Cytosporin D
Peak:m/z	Relative Intensity
53.03932	8.7
55.01869	28.7
55.05512	43.5
56.96556	5.6
57.03428	22.0
62.00684	2.7
67.05504	77.2
69.03431	7.2
69.07068	22.8
69.60568	9.2
69.61004	10.0
70.43579	2.9
70.67593	2.5
71.04985	6.2
72.28633	3.1
79.05496	41.7
81.03425	14.1
81.07059	67.4
82.90355	2.9
83.04985	19.0
83.08627	21.2
85.06525	17.7
85.92294	3.2
91.04972	4.9
91.05486	62.0
93.07049	52.5
95.04964	40.2
95.08604	21.7
97.06535	9.7
97.10159	19.4
98.97582	15.0
98.98444	4.2
99.08057	3.4
105.07028	54.3
107.04940	11.5
107.08588	60.0
108.04486	5.5
108.14775	2.7
109.04864	3.5
109.06516	61.2
109.10155	62.9
111.08082	22.4
113.06014	25.7
117.07014	11.4
119.08577	25.6
121.06493	14.0
121.10140	15.9
123.08080	12.7
123.11707	13.0
125.09631	23.8
129.07027	5.4
131.08531	12.6
133.10132	97.7
135.08076	14.6
135.11719	7.1
137.06004	6.5
137.09633	21.2
139.07527	3.2
143.08546	6.4
145.10085	7.8
147.08076	7.5
147.11636	5.6
149.09642	7.7
151.11183	62.7
153.09117	4.7
156.21527	2.9
157.10207	3.9
159.08063	23.1
159.11673	5.6
161.09665	10.2
163.11240	4.3
165.09091	13.9
173.02357	23.4
173.09578	3.1
175.11241	4.2
177.12738	3.7
179.10686	9.9
183.10173	38.3
183.13747	15.6
187.07924	3.5
187.14792	4.3
203.12769	7.9
215.07063	20.9
220.82506	3.0
225.16382	4.6
234.31921	3.4
243.17406	6.0
247.17140	4.0
253.15840	9.2
261.18521	16.0
265.18008	7.3
271.16937	16.6
274.97522	11.8
279.19489	8.6
289.17960	56.0
303.19485	3.5
307.19003	21.3
321.20554	42.7
339.21646	100.0
349.16879	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20432	2.0
51.81821	2.1
53.03934	3.5
53.04842	2.1
55.01865	6.4
55.05277	2.6
55.05514	30.2
56.96542	3.7
57.03435	6.0
57.07035	3.0
57.57866	2.8
65.03957	2.5
67.05510	26.8
69.03403	6.7
69.07062	12.9
69.92762	2.3
71.00866	5.4
78.01658	2.5
79.05492	30.4
81.03409	5.4
81.07054	27.3
83.01338	3.2
83.04961	4.4
83.08627	13.5
85.06500	2.8
91.05470	18.3
93.07051	26.2
95.04955	6.8
95.08614	15.4
97.06519	9.9
97.10168	25.1
98.97552	4.3
105.07022	13.4
107.04935	4.9
107.08587	24.1
109.06518	16.3
109.10145	13.2
111.08101	12.3
116.98615	3.3
117.07005	6.4
119.08601	13.3
121.06485	8.1
121.10129	5.9
123.08081	11.0
125.09631	25.0
129.06947	3.8
131.08580	6.4
133.06453	3.8
133.10114	10.5
135.04445	2.7
135.08064	18.7
137.09593	10.3
139.07541	39.2
139.11078	2.9
141.06960	2.7
143.08549	2.9
145.10124	7.5
147.11664	3.2
149.09662	5.0
151.11203	2.5
153.09123	8.6
157.10156	3.7
157.12190	2.8
159.08038	6.0
159.11700	3.5
161.09633	5.6
163.07533	9.4
168.50237	2.3
171.11679	2.4
173.09608	6.4
183.11670	4.3
184.43401	2.3
187.13226	3.2
191.10611	8.9
197.63034	2.9
201.16402	2.5
203.12802	21.2
218.21519	2.8
224.58240	2.7
235.16914	4.2
243.17404	7.0
247.16847	2.9
253.15833	6.8
261.18558	11.0
263.16360	5.3
265.18222	2.8
267.11752	3.8
271.16928	21.2
274.97559	3.7
285.12842	3.7
289.17987	100.0
303.19412	4.7
307.18985	12.0
321.20621	15.1
340.28247	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49501	2.7
50.56844	3.2
53.03942	6.7
55.01877	18.2
55.05513	47.7
56.96564	6.2
57.03441	34.9
57.07073	6.8
59.04997	3.0
65.03935	3.3
65.37198	3.0
67.05508	80.7
69.03423	17.8
69.06798	2.7
69.07078	31.5
71.04976	12.3
71.56978	3.6
73.02915	2.8
76.23621	3.1
77.18338	3.9
79.05494	66.7
81.03423	30.6
81.07059	72.9
83.04986	15.8
83.05408	2.6
83.08153	3.7
83.08627	51.6
84.67413	2.9
85.06534	25.5
91.05480	46.3
93.07048	64.5
95.04977	52.3
95.08045	5.6
95.08610	49.4
97.02889	5.2
97.06547	17.1
97.10188	25.0
98.97594	9.5
105.03408	5.0
105.07034	27.1
106.03644	3.1
107.04966	14.6
107.08609	38.2
108.87108	3.1
109.02887	4.2
109.06522	54.1
109.10166	32.7
110.49978	2.8
111.04449	9.6
111.08096	29.0
113.06011	66.4
113.09651	4.3
116.98598	8.7
117.07027	13.9
119.04956	3.9
119.08585	24.4
121.06529	29.6
121.10121	24.6
123.04408	4.1
123.08052	10.9
123.11696	11.2
125.06024	6.1
125.09624	23.9
127.03906	5.9
129.07002	6.3
131.04990	3.7
131.08545	23.7
133.06483	5.7
133.10127	29.3
135.08064	100.0
135.11674	22.0
137.05960	4.3
137.09589	12.1
139.07518	10.6
139.11185	3.4
143.08553	7.2
143.37735	3.3
145.06543	4.6
145.10144	17.5
147.08104	6.4
147.11671	16.2
149.09642	10.1
149.13229	15.0
151.11115	5.1
153.09114	14.1
153.69846	3.1
155.08527	5.4
157.06474	3.4
157.08606	5.0
157.10139	9.8
159.08063	8.2
159.11678	19.1
161.09613	7.2
161.13167	6.3
163.07549	4.6
163.11195	7.3
165.12744	3.3
169.10100	3.3
171.11632	4.7
173.09601	4.9
173.13272	9.8
175.11206	6.3
177.12798	4.4
181.12160	3.3
187.14850	6.7
189.11293	17.5
189.12694	4.1
199.11203	10.2
203.12752	10.5
215.14352	4.1
219.13753	6.6
223.13322	3.6
229.19504	12.5
233.15443	5.7
247.20627	37.5
253.15968	4.4
261.18518	4.7
271.16949	18.2
274.97504	13.0
289.17999	39.7
292.98938	3.7
293.17444	8.5
297.43924	3.4
303.19543	5.0
307.19168	16.8
321.16910	32.4
321.20685	9.7
321.23962	3.6
339.18060	17.4
339.21689	13.7
339.25064	3.9
339.26987	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	339.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	15.1
54.25148	3.2
55.01866	13.7
55.05509	34.5
57.03434	29.1
64.92921	3.0
67.01888	3.0
67.05502	49.8
69.03410	10.8
69.07063	11.9
70.72838	10.0
71.04975	15.2
79.05494	50.9
81.03429	29.8
81.07054	85.8
83.04981	44.5
83.08621	21.4
85.06534	5.0
87.92609	4.1
90.38537	4.2
91.05481	39.3
93.07044	39.3
95.01317	8.3
95.04994	19.2
95.08604	45.5
97.06532	14.4
97.10164	15.1
98.58730	3.7
98.97574	5.3
99.08059	5.0
105.04565	4.0
105.07012	30.2
107.04956	49.0
107.08607	26.1
109.06525	25.9
109.10194	8.1
111.04442	39.9
111.08066	13.6
113.05992	12.3
117.07018	15.6
119.04958	5.0
119.08591	19.6
121.06509	12.9
121.10120	13.0
121.68059	3.4
123.04433	14.1
123.08060	15.6
125.05972	3.3
125.09621	13.8
129.05431	3.4
129.06958	6.8
131.08592	23.4
133.06485	8.0
133.10118	15.4
135.08018	18.5
135.11690	21.6
137.09715	3.3
141.06932	5.3
143.08482	3.9
145.06482	10.7
145.10115	13.8
147.08061	9.7
147.11690	23.6
149.09628	4.6
149.13246	13.1
151.07552	5.4
153.09044	4.7
155.08504	4.9
157.10139	5.0
159.08072	15.8
159.11716	22.5
161.09642	10.0
163.07570	19.0
163.11195	8.4
169.10123	8.6
171.11806	3.8
173.13339	4.8
175.11247	8.3
177.09160	4.0
177.12759	37.0
179.14343	5.9
187.11208	17.0
187.14864	3.9
192.14517	3.3
193.12228	14.5
195.13733	3.9
203.12695	7.7
205.12230	11.6
209.15387	17.7
215.14447	5.8
217.12151	3.8
219.13747	11.9
221.11673	17.0
223.13307	8.8
233.15457	16.9
237.14839	12.8
243.17458	7.1
251.16423	9.3
255.15887	8.3
258.76163	3.5
261.18451	13.6
271.16946	20.0
289.17975	100.0
303.19537	9.6
303.23068	6.1
307.19119	19.6
321.20569	46.8
321.24313	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	339.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74026	1.8
53.03705	2.6
53.03947	23.3
55.01873	11.4
55.05268	3.8
55.05512	51.1
57.03437	18.0
57.07059	7.5
59.04995	3.7
60.69731	1.8
61.02928	2.5
62.98224	2.4
64.06966	1.7
65.03937	6.0
67.05506	73.8
69.03409	6.8
69.06794	1.7
69.07076	19.9
70.06573	8.3
71.04995	47.0
71.08642	2.9
73.02917	3.4
73.06590	2.2
76.34061	2.1
79.05493	64.8
81.02936	2.5
81.03420	46.3
81.07057	100.0
83.04982	53.7
83.05465	4.3
83.08616	9.4
85.06538	9.4
87.12834	1.9
91.05486	59.8
93.07042	64.1
94.39301	1.9
94.76140	1.9
95.04974	27.6
95.08607	48.0
97.02879	2.6
97.06528	11.6
97.10181	5.1
98.97558	2.3
99.04473	4.7
99.08102	2.4
101.06035	7.1
105.07035	43.6
107.04965	32.2
107.08605	29.1
109.02853	3.0
109.06520	37.8
109.10155	9.3
111.04490	3.0
111.08109	4.6
113.05988	3.7
117.07027	23.1
118.04699	2.1
119.04942	6.4
119.08583	28.0
121.02858	2.7
121.06504	17.3
121.10155	16.2
123.04410	7.9
123.08073	18.1
123.11739	2.6
125.06074	4.9
125.09649	3.4
128.06183	4.1
129.07019	13.7
130.07841	2.5
131.08575	27.3
133.06522	13.2
133.10115	24.9
135.04404	2.7
135.08061	13.8
135.11690	21.6
137.05943	3.4
137.09602	3.6
138.57780	2.3
139.07597	2.1
141.06982	8.0
143.08545	12.7
145.06488	11.0
145.10135	15.8
147.08037	16.0
147.11674	10.4
149.02370	2.4
149.05942	2.3
149.09641	10.7
149.13316	10.4
150.64276	2.1
151.07489	6.3
151.11179	2.7
155.08545	8.3
157.10179	12.5
159.08086	21.0
159.11655	22.0
161.09637	14.8
161.13260	6.3
163.07512	4.7
163.11208	8.8
165.09081	2.3
169.10121	9.0
171.11702	15.8
173.09706	10.1
173.13272	6.9
175.11217	9.8
177.09105	3.5
177.12741	14.7
179.14339	4.8
181.10098	3.7
183.10141	5.6
183.11739	6.3
185.13284	6.0
187.11232	10.6
189.12753	6.6
191.14366	4.9
193.04944	7.7
197.13295	4.3
199.11229	3.8
201.12790	4.0
203.14305	2.2
205.12260	5.7
205.15968	4.5
207.12036	3.5
207.13802	19.0
209.15298	3.0
211.11279	2.1
211.14815	3.3
215.14339	7.7
217.12247	4.9
219.13841	10.1
221.15309	3.0
224.65698	3.6
225.16411	4.1
231.13820	5.6
233.11783	3.9
233.15399	12.2
235.15076	2.5
237.14870	10.5
243.17393	5.8
247.13223	2.3
249.14854	4.6
253.15852	8.3
256.26398	3.2
261.18488	16.6
263.16431	7.5
271.16928	39.3
275.19855	2.3
289.17987	100.0
293.21054	2.1
303.19531	44.3
321.20758	27.4
339.18808	25.1
339.21722	36.4
339.27679	23.4
339.77844	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	339.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66731	1.2
53.03727	1.6
53.03949	12.3
55.01865	5.2
55.05513	25.0
57.03444	13.0
59.04988	3.0
63.56906	1.2
65.03928	2.6
67.05506	43.9
69.03414	3.5
69.07060	7.4
71.04647	1.9
71.04996	21.0
71.07800	2.7
71.34541	1.2
73.02904	2.1
79.05068	2.3
79.05497	29.7
81.03420	23.9
81.07057	46.0
82.11057	1.3
83.04984	45.4
83.08607	4.3
85.06534	5.1
91.05482	32.1
93.07042	38.2
93.44573	1.3
95.04964	17.2
95.08614	25.1
97.06538	6.6
98.97561	1.4
99.04452	5.1
101.06020	2.0
105.03391	1.6
105.04548	1.3
105.07030	23.5
107.04959	21.5
107.08594	17.9
109.02863	1.6
109.06506	14.2
109.10166	7.9
111.04468	6.1
111.08076	5.3
113.05979	1.7
117.06995	12.0
119.04929	2.2
119.08577	17.2
121.06512	9.5
121.10127	8.7
123.04430	3.6
123.08105	10.7
123.11720	1.3
125.05975	8.1
128.06158	1.9
128.52647	1.2
129.07024	8.3
131.08577	15.6
133.06488	7.4
133.10123	12.2
135.08055	7.5
135.11723	11.4
137.05978	3.8
137.09625	3.1
139.07541	2.7
141.06989	3.1
143.08522	6.0
145.06502	6.6
145.10101	8.0
147.08084	6.2
147.11705	10.8
149.05995	2.9
149.09627	6.5
149.13245	5.0
151.07530	4.5
151.11162	3.9
151.53223	1.2
155.08522	3.1
157.08739	1.2
157.10106	4.3
159.08008	7.3
159.11664	10.1
161.09654	9.3
161.13223	3.7
163.07593	6.0
163.11212	11.7
167.08580	1.6
168.25549	1.3
169.10118	4.4
171.11714	11.3
173.09653	4.6
173.13239	6.4
175.11157	4.6
177.09100	3.6
177.12750	10.5
179.14267	1.4
181.10037	1.2
183.10240	2.3
183.11700	3.6
185.13304	2.1
187.11197	5.7
187.14781	4.2
189.12756	5.7
191.10762	1.8
191.14290	4.4
197.13252	1.7
199.11240	3.0
201.12756	3.3
205.12216	2.8
205.15886	4.2
207.13766	4.7
213.12781	1.9
215.14325	3.9
217.12225	5.2
219.13840	4.3
225.16414	2.0
231.13797	2.4
233.11842	1.4
233.15335	14.7
235.13240	3.4
237.14821	5.0
243.17429	3.4
249.14859	3.0
253.15930	3.8
261.18561	13.3
263.16449	1.9
271.16959	13.8
289.17990	100.0
303.19568	12.5
304.19983	1.5
321.20639	32.5
339.21979	8.3
344.82117	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89836	2.4
53.03948	18.4
55.01875	14.2
55.05510	29.4
56.26958	2.7
56.96563	4.0
57.03440	32.5
57.07082	4.1
65.03945	3.3
67.05508	54.8
69.03443	7.5
69.07073	19.6
70.22749	11.0
71.04987	5.6
79.05498	35.3
81.03422	50.0
81.07059	65.4
83.04986	53.5
83.08617	11.1
85.06529	8.2
91.05482	35.3
93.03414	3.2
93.07051	41.1
95.04976	19.4
95.08608	41.7
97.06548	9.9
97.10180	10.4
98.97601	4.4
99.08132	4.1
101.06036	5.7
105.07045	26.7
107.04962	29.6
107.08589	20.7
109.02945	2.7
109.06525	28.1
109.10174	12.1
111.04448	45.9
111.08076	7.3
113.06010	6.5
115.05508	2.7
117.07025	18.0
119.08598	23.1
121.06520	14.4
121.10152	12.1
123.08101	19.3
123.11680	5.2
125.06001	8.6
125.09661	7.4
129.07037	6.5
131.08595	21.2
133.06511	7.3
133.10141	15.9
135.08078	14.5
135.11707	20.2
137.06009	3.8
137.09636	8.3
139.07568	6.2
141.06985	6.7
143.08582	5.7
145.06482	15.6
145.10161	13.9
147.08041	9.9
147.11612	3.8
149.09639	5.2
149.13313	7.7
151.07503	5.3
151.11201	5.5
155.08545	4.0
157.10135	3.8
159.08046	17.1
159.11713	19.4
161.09657	6.4
165.09097	2.9
169.10129	6.2
171.11656	4.0
173.09616	4.1
177.12738	17.8
187.11153	17.2
189.12773	3.3
195.13817	10.8
197.13222	5.3
199.11253	2.9
203.12770	4.0
205.12299	6.4
205.15904	6.5
215.14264	6.0
223.13327	24.8
233.15314	16.1
241.14371	25.4
243.17416	5.1
253.15868	5.8
261.18546	21.8
271.16953	18.9
274.97433	4.5
289.17993	100.0
303.19498	3.5
307.19186	7.9
321.20615	91.5
338.96777	3.1
339.22339	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	339.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	12.4
55.01628	4.8
55.01863	30.0
55.05499	23.8
57.03452	31.8
67.05504	80.7
69.03410	5.6
69.07064	22.3
69.90030	19.0
69.90434	7.2
75.46491	4.6
79.05493	74.2
81.03420	10.3
81.07064	86.6
83.04996	30.8
83.08604	10.1
85.06551	10.4
91.05474	74.6
93.07053	56.0
94.04178	8.9
95.04972	84.0
95.08616	41.0
97.02880	6.7
97.06550	10.3
98.07323	7.9
105.07030	50.7
107.04958	100.0
107.08581	29.4
107.72958	5.2
108.05740	11.3
109.06523	42.0
109.10167	15.8
111.04420	11.8
111.08041	7.2
112.05202	12.7
113.05986	11.6
117.07040	34.1
117.07710	6.6
119.08591	36.9
121.06498	18.6
121.10177	19.0
122.07281	21.2
123.04401	11.4
123.08071	8.8
125.05983	7.2
125.51133	5.0
129.07022	14.2
131.08603	36.7
133.06505	30.1
133.10130	19.8
135.08040	21.8
135.11685	12.2
141.06941	9.8
143.08562	15.4
145.06494	20.5
145.10124	20.8
147.08022	30.4
147.11687	5.6
149.09599	11.3
155.08597	5.8
159.11711	17.9
161.05920	5.5
161.09628	14.5
163.11185	11.0
165.09149	15.3
169.10120	8.5
171.11703	8.6
173.09772	5.6
173.13268	14.7
177.12724	7.9
187.14848	19.2
189.12770	6.2
197.13330	7.4
205.15924	14.9
206.27350	4.7
215.14253	8.1
232.42291	6.3
233.15372	82.4
265.17972	55.9
273.18451	18.1
290.18747	17.2
304.20294	6.3
305.21173	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	339.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
53.87641	1.1
55.01865	1.3
55.05515	5.7
56.96555	3.7
57.03426	2.3
57.07072	2.5
57.13446	1.1
59.04998	1.4
61.02918	2.2
67.05505	32.3
69.03437	7.4
69.07062	3.4
69.93855	5.7
70.06593	2.8
71.04995	77.3
71.08660	1.9
79.05478	5.4
81.03417	2.5
81.07060	73.4
83.08601	1.7
84.08145	6.2
85.02898	15.0
85.06549	16.8
86.09722	2.7
87.04468	1.3
87.95850	1.2
90.47228	1.1
91.05481	2.4
93.07045	1.6
95.04934	1.4
95.08084	1.3
95.08605	8.3
97.02894	4.1
97.06569	5.7
97.10156	1.0
98.06869	2.5
98.97583	8.5
99.04489	1.3
99.08071	2.2
109.02894	2.0
110.06013	3.1
110.07137	1.7
110.97551	1.8
116.98605	1.9
119.01843	1.4
122.06041	8.1
123.11722	16.3
124.07544	1.5
127.03922	2.4
129.06999	1.2
136.07559	4.2
137.05974	1.4
138.05540	1.4
138.09151	4.2
140.07063	2.4
141.12743	100.0
145.02795	2.3
147.04385	1.8
150.05476	2.8
152.07072	1.4
158.99623	1.8
159.13811	67.5
164.07097	5.8
166.04970	2.5
177.04115	1.5
177.05443	7.9
177.14864	33.2
182.08099	4.5
184.06174	1.3
215.08228	2.1
219.01740	1.7
237.02821	2.0
243.07579	3.5
261.08676	1.4
289.08167	5.9
303.13263	1.7
307.09308	1.5
321.10895	2.5
321.14160	2.4
339.11014	3.9
339.15738	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	339.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19851	0.7
53.03933	1.2
55.01876	0.8
55.05510	2.2
56.96559	2.7
57.03437	1.3
57.07080	0.8
57.70850	0.7
61.02915	1.1
62.28411	0.7
64.80155	0.8
67.05499	4.9
69.03428	2.1
69.07071	1.1
70.06584	2.6
70.20728	3.4
71.04979	3.5
72.08136	0.8
77.61974	0.7
79.05508	5.6
81.03436	1.9
81.07057	12.0
82.06607	0.8
83.04968	0.9
84.08146	2.5
85.02901	6.5
85.06528	1.6
86.09733	0.7
87.04498	0.9
91.05466	3.0
93.05789	1.4
93.07026	2.1
94.06580	2.9
95.08610	4.3
96.04497	1.2
96.08145	2.6
97.02899	2.3
97.06528	6.1
98.06876	2.9
98.97587	7.6
104.11340	0.8
105.06951	0.9
106.06546	1.4
108.08146	1.8
109.06517	1.7
110.06045	8.0
110.97556	1.2
112.07574	0.9
116.98625	3.1
120.04448	0.9
122.06031	24.1
123.04467	1.3
123.06837	2.8
123.11692	0.9
124.07593	15.8
126.05505	1.2
127.03870	1.6
129.10242	1.1
131.08621	1.3
133.06512	1.1
134.06020	11.6
136.07578	82.3
137.05991	1.2
138.05479	1.2
138.09152	1.0
140.07089	6.6
141.09105	1.5
141.12724	4.9
142.09448	1.1
143.07019	0.8
146.99588	1.2
149.25163	0.8
150.05510	7.5
152.07068	98.1
154.08632	1.3
158.08112	1.6
158.99667	2.4
159.13815	2.9
160.10417	0.9
161.08092	1.0
164.07072	100.0
166.08667	2.0
168.06573	3.5
170.08124	16.8
172.11234	1.3
177.00778	1.3
177.05403	1.7
177.14865	1.8
182.08136	25.9
183.08301	0.9
200.10727	1.7
214.12283	1.2
215.08246	1.2
219.01746	1.9
237.02824	2.2
242.11798	1.6
258.11523	0.9
260.12878	3.7
285.12323	2.7
289.08109	1.6
293.89584	1.2
303.13400	40.5
321.14426	15.5
339.10751	2.9
339.15540	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	339.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57026	0.5
55.01863	0.5
63.33014	0.4
70.45729	1.8
81.03426	0.7
81.07084	0.5
85.02892	2.2
94.11712	0.4
97.02888	1.0
98.21481	0.6
98.97588	1.6
99.50813	0.4
127.03934	0.6
127.54263	0.5
135.04443	0.6
137.05991	1.4
147.04369	0.6
158.69176	0.5
159.11711	0.5
162.59573	0.5
163.03920	1.3
185.04263	1.0
195.05040	1.8
203.03397	2.7
211.80716	0.4
217.07150	0.5
220.26631	0.5
256.40866	0.5
273.09924	0.5
294.05658	0.6
309.08331	0.9
339.10522	100.0
340.10706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	1.1
61.02908	0.5
67.48057	0.5
69.03416	1.6
69.88275	1.0
69.88686	1.8
73.12260	0.4
77.31356	0.4
81.03407	1.0
81.07054	0.5
85.02911	3.2
91.05445	0.9
97.02888	1.5
97.06528	0.5
98.21508	0.7
98.97591	2.3
106.70788	0.5
109.02887	0.7
110.97624	0.6
116.98651	0.6
119.01900	0.5
119.05013	0.6
127.03933	1.1
131.01901	0.6
135.04459	0.5
137.05995	1.1
145.04953	0.9
147.04411	1.1
153.29581	0.5
158.99677	0.7
163.03929	0.8
174.04129	0.5
177.05901	0.5
195.05052	2.2
203.03543	1.6
213.06090	0.8
219.01834	1.0
219.04958	0.6
221.05080	1.0
237.02858	0.9
251.07967	0.6
291.07309	0.6
294.05917	1.1
303.13553	0.5
309.08252	1.2
339.10516	100.0
357.10391	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.3
55.01881	1.3
56.96559	1.2
57.03440	0.9
61.02925	0.5
67.05511	0.8
69.03458	1.9
69.07075	0.4
69.81647	0.7
69.81937	2.2
70.06581	0.6
76.63404	0.4
79.05493	1.1
81.03414	0.5
81.07021	0.5
83.08608	0.5
85.02905	3.6
87.00845	0.9
89.03912	2.4
91.05499	0.7
93.07019	0.5
95.01335	1.5
97.02893	1.6
97.06536	2.7
98.06870	1.5
98.97574	2.1
99.04455	0.5
103.05472	1.5
105.01867	0.9
107.04951	1.2
109.02859	0.4
110.97554	0.8
115.05449	0.5
116.98630	0.7
117.03381	4.3
121.02881	1.6
123.04432	3.0
127.03922	0.8
131.04933	2.8
132.04446	0.7
133.06470	0.7
135.04425	12.1
136.07571	1.2
137.02307	0.5
137.05956	1.1
139.03909	0.8
141.01820	0.9
141.09154	0.4
143.04956	0.5
145.02861	5.1
145.03903	0.8
145.04942	0.5
147.04416	23.9
149.02324	5.1
149.05965	1.5
152.07124	1.3
157.02873	0.5
158.05936	0.9
158.99655	0.7
159.04433	1.8
159.06371	1.2
159.10199	0.5
161.05971	1.2
163.03909	60.3
164.07054	1.6
165.05481	1.1
166.08540	0.4
173.06017	1.1
175.03912	4.0
176.07101	0.5
177.01862	5.1
177.03923	1.7
177.05464	3.4
177.07014	0.5
179.03384	0.4
183.04465	0.5
187.03909	3.5
189.05531	2.3
191.03459	0.7
193.04982	0.4
195.02950	0.6
201.05554	0.5
203.03400	100.0
204.03716	0.8
205.04991	5.4
206.04433	0.5
207.02817	0.5
207.04747	0.9
213.05412	1.0
215.03400	5.0
219.02908	1.5
221.04726	0.5
229.05002	2.8
231.02890	14.5
231.06488	0.8
233.04469	4.8
237.02846	0.6
257.04318	0.5
259.06122	0.5
261.03946	7.4
261.12512	0.6
279.05008	11.5
291.01923	0.6
291.05011	6.2
303.05014	0.7
303.13162	1.3
321.05948	1.0
321.14413	1.5
339.06992	5.1
339.10651	3.3
339.15027	2.8
339.19009	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28027	1.6
54.77946	1.7
56.96571	15.1
69.53853	10.2
74.70306	1.6
84.96021	3.7
98.41609	1.7
98.97585	100.0
104.10715	2.0
105.02190	2.2
110.97578	16.9
112.89593	4.1
114.89352	2.2
116.98623	30.0
117.02208	2.9
117.15849	1.7
119.01977	2.7
124.99116	5.1
127.19418	1.7
128.98605	12.3
134.03624	1.5
134.99684	6.4
135.03217	12.7
140.98602	4.3
143.00169	13.9
146.99606	2.2
153.04272	3.6
157.01630	1.8
158.99666	40.5
161.01208	3.8
170.99686	11.2
176.99208	1.8
177.00745	29.2
177.04303	6.0
178.01207	1.8
189.00694	13.7
189.04285	4.0
196.97346	4.0
201.00668	1.9
203.05879	3.5
205.37979	1.7
207.01837	4.0
213.01402	1.8
213.04312	4.0
216.98657	3.7
218.02893	1.7
219.01778	28.0
219.03578	1.7
219.05318	3.8
223.99974	1.8
228.02495	1.7
231.01843	2.2
237.02829	68.0
240.02325	2.3
244.89749	3.3
249.02711	2.2
254.96118	1.8
255.01389	2.9
255.03920	39.6
258.99731	5.0
260.99634	2.5
261.02997	6.1
263.02765	2.0
274.97437	10.7
279.03860	80.9
279.07346	4.8
292.93753	2.4
297.04926	46.5
297.08502	15.1
310.90359	2.9
320.06451	3.2
321.01547	1.7
338.95050	2.5
339.09641	4.5
347.40228	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91345	1.3
53.93874	1.2
55.97995	1.2
56.96320	1.9
56.96565	15.7
57.03426	1.6
59.06773	1.2
61.02898	1.8
61.35960	1.3
61.92491	1.2
63.91422	1.3
65.10113	1.3
69.03423	3.7
70.25718	4.5
70.98116	1.7
71.95255	3.2
73.02939	2.7
77.76534	1.3
84.96044	2.0
85.02901	9.4
94.61552	1.4
97.02884	5.2
98.21462	1.4
98.97586	100.0
105.02081	1.3
108.96836	1.4
109.01441	1.3
110.97582	10.3
116.98626	33.6
119.01858	1.8
124.99118	3.2
127.03928	2.4
128.02339	1.9
128.98601	5.9
129.90675	1.2
131.00250	1.8
134.99619	7.8
135.03218	3.3
143.00166	4.5
143.01784	1.5
145.04942	1.5
146.99629	3.2
154.93294	1.4
158.99666	12.1
161.01311	2.0
168.03679	1.1
168.05447	7.1
170.99634	4.1
172.94374	6.1
174.99165	1.5
177.00671	7.1
177.04286	3.2
177.05992	3.4
180.97876	2.5
184.76816	1.5
189.00716	5.2
190.47429	1.4
190.95387	2.5
191.03894	4.8
194.98010	2.1
195.01489	2.1
198.98866	2.3
201.00821	1.5
207.01778	3.2
213.02530	1.5
214.95500	4.2
219.01817	8.1
221.01668	1.9
232.96477	5.5
236.99135	2.2
237.02798	15.8
249.08124	2.8
250.97495	1.6
255.03813	9.9
256.96426	13.3
258.06387	2.9
258.08661	5.8
274.97516	77.7
279.03949	16.2
286.61841	1.4
291.03598	1.5
292.98599	26.2
297.04907	8.6
297.08054	2.9
335.09970	2.2
338.96771	2.9
339.05533	6.0
357.06659	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	338.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
54.96832	0.8
55.01871	2.2
55.05509	3.5
56.96569	1.9
57.03430	3.5
57.07061	0.7
58.46532	0.8
60.04521	0.8
61.02919	1.6
67.05502	6.9
69.03433	4.0
69.07072	20.8
70.06593	4.0
71.04986	2.4
71.55814	1.3
72.08137	3.1
73.02917	1.5
73.06546	2.4
74.06068	1.8
79.05484	3.2
81.03397	2.1
81.07063	21.4
83.04975	1.8
84.04510	0.9
84.08150	2.3
84.31569	0.8
85.02908	26.3
85.06540	1.1
86.09728	1.8
87.04441	1.4
91.05462	1.7
93.04540	1.0
93.07059	2.8
95.08612	100.0
97.02903	3.9
97.06538	27.5
98.97598	5.3
99.04462	5.9
99.08128	4.9
103.03945	2.5
105.07033	1.9
109.02886	1.0
110.07203	1.6
113.09641	11.0
115.07574	28.9
116.39561	0.9
116.98590	1.3
119.08569	1.1
120.08071	2.2
121.02856	2.3
121.10136	1.3
123.08072	38.9
127.03925	2.6
129.10220	1.8
133.10129	1.0
139.03957	0.9
141.09108	99.6
145.04970	1.9
147.04390	1.2
159.10175	82.2
162.05486	0.9
164.07033	0.9
175.06255	2.0
176.07098	1.5
200.02246	0.9
208.51624	0.8
219.01694	1.2
237.02721	1.1
260.12869	1.6
276.15964	2.3
320.14819	2.3
320.18497	1.1
321.15649	0.9
338.15921	4.3
338.20032	3.5
349.11926	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.01865	4.0
57.03434	6.8
61.02701	1.2
61.02930	12.7
67.05485	4.9
69.03133	1.6
69.03434	17.3
69.07069	4.0
69.53472	9.4
70.56887	1.6
71.04987	4.9
73.02914	6.0
81.03413	8.8
83.08582	1.6
85.02907	100.0
87.04470	2.3
91.03965	6.9
91.05478	2.1
93.07043	2.5
95.08607	60.9
97.02898	23.0
97.06522	1.7
99.04448	5.7
105.07028	3.9
106.07364	2.8
109.02893	6.8
113.09647	76.9
127.03916	21.9
137.05963	1.6
145.04955	36.3
159.10147	8.5
163.06001	8.6
189.11115	2.5
204.45129	1.3
224.08119	2.0
260.12881	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01864	2.8
55.05513	27.0
56.96564	0.9
57.03187	1.2
57.03441	14.4
57.07070	4.2
61.43034	0.8
65.03928	2.1
67.05507	57.6
69.03427	0.9
69.07072	38.0
70.46923	2.4
70.47286	1.1
71.05001	2.1
71.08633	2.3
79.05065	1.5
79.05495	18.7
80.46770	0.7
81.03431	1.2
81.07061	60.5
83.04980	2.8
83.08624	14.9
85.06539	2.2
85.10168	1.0
91.05484	11.2
93.07049	20.6
95.04978	2.5
95.08609	45.7
97.06527	7.6
97.10182	8.2
99.08105	1.8
101.73623	0.7
105.07031	9.4
107.04975	1.4
107.08593	9.8
109.06516	2.0
109.10157	15.7
111.08119	2.0
111.11735	2.0
112.44003	0.8
117.07023	1.0
119.08585	8.8
121.10152	7.0
123.08072	2.3
123.11732	7.4
123.70357	0.8
125.09621	1.7
131.08582	2.8
132.99586	1.4
133.10124	8.9
135.11699	7.0
137.09631	1.5
137.13260	4.4
139.11179	1.4
145.10126	2.3
147.08025	1.7
147.11662	4.2
149.09660	1.1
149.13300	2.3
151.11217	1.5
151.14870	1.1
153.12721	1.9
159.11682	1.6
161.13252	3.2
163.14812	2.2
165.12779	1.1
171.11690	1.3
175.14803	2.0
177.12598	0.9
181.10042	0.8
189.16400	1.6
191.00122	1.7
214.77594	0.9
217.14401	1.5
233.11885	0.9
234.06772	1.1
245.22766	1.7
251.16461	3.1
254.37784	0.9
263.23755	2.9
277.08707	1.1
277.17975	0.9
301.21628	3.7
305.11578	1.5
305.17493	1.4
306.12518	1.2
319.19199	1.2
319.22678	28.9
337.14435	3.3
337.27393	100.0
338.27795	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95683	0.7
55.01871	1.2
55.05509	6.1
56.37495	0.5
56.85572	0.7
57.03430	1.3
57.07056	2.3
57.49780	0.6
65.03942	0.7
67.05505	20.5
69.07067	8.6
71.04977	1.6
71.08633	15.4
71.48196	1.2
79.05493	18.0
81.03403	2.4
81.06589	1.2
81.07059	23.2
83.04976	4.6
83.08616	4.5
85.06522	1.3
91.05480	7.7
93.07043	25.5
95.04968	2.9
95.08607	22.5
97.06516	2.8
97.10153	1.4
99.08092	10.3
105.07037	5.3
107.08595	15.8
109.06496	1.2
109.10150	7.1
111.08031	1.5
114.00867	0.6
119.08585	3.7
121.09326	1.1
121.10135	15.1
121.76170	0.6
123.08199	0.5
123.11716	1.4
125.09645	1.2
127.11154	0.8
130.61449	0.6
131.08537	1.6
133.10135	4.6
135.11688	12.6
137.13226	0.6
141.09102	2.8
145.10146	1.4
147.11690	4.1
149.13252	4.1
151.11185	2.8
153.12752	1.0
159.11615	0.8
161.13235	1.4
185.13272	0.7
187.14832	1.6
189.16368	3.1
199.14793	0.9
207.17441	100.0
263.20099	1.6
273.50906	0.6
280.56039	0.6
281.30789	0.7
287.23685	1.9
305.11896	1.1
305.24734	21.6
306.12711	0.9
336.46222	0.6
337.14374	1.7
337.27527	2.6
352.63080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.4
55.05507	14.4
57.07068	8.2
63.38311	3.9
65.03940	4.7
67.05507	29.9
69.07070	30.3
70.67974	12.2
71.04990	39.5
79.05499	22.3
81.07059	54.3
83.04995	4.8
83.08598	8.3
85.06530	5.0
91.05471	37.9
93.07047	59.6
95.04980	29.7
95.08610	100.0
96.72438	3.6
97.06523	12.0
103.05444	4.0
105.07033	86.9
106.67504	4.0
107.08595	53.4
109.06506	13.6
109.10162	38.8
115.05507	5.0
117.06993	13.9
119.08584	97.9
121.10152	81.7
123.08047	14.6
123.11721	66.0
125.09686	3.9
128.06195	9.2
129.07010	14.9
130.07782	7.1
131.08556	51.9
133.10144	43.7
135.08058	30.5
135.11679	13.4
137.13220	4.5
141.06955	6.1
142.07774	16.1
143.08574	39.4
144.09222	5.3
145.10129	70.1
147.08041	9.5
147.11717	33.7
149.09659	13.1
149.13235	10.2
155.08537	15.7
156.09351	15.8
157.10141	73.5
158.10904	5.6
159.08012	5.4
159.11679	32.7
161.09616	41.3
161.13278	13.9
163.11180	5.4
167.08522	11.1
168.09334	8.6
169.10165	24.3
170.10986	4.8
171.11649	33.9
172.12437	6.3
173.09634	5.2
173.13264	27.0
175.11171	6.7
175.14839	14.4
177.16411	12.6
179.08542	6.8
180.09360	4.8
181.10083	8.9
182.10909	8.6
183.11700	33.4
185.13268	10.9
187.11151	4.4
187.14786	13.9
189.12666	4.9
189.16391	8.6
193.10086	8.1
195.11693	17.1
196.12416	6.1
197.13231	48.0
199.14755	20.7
201.12718	14.0
201.16374	15.3
207.11711	9.0
208.12511	5.0
209.13237	17.7
211.14897	17.9
213.12747	11.4
213.16434	7.0
215.14256	24.8
221.13213	7.1
223.14783	22.5
225.16425	8.4
237.16167	4.8
239.17863	10.1
249.16417	4.5
253.19531	14.2
257.19092	4.9
263.18011	6.1
279.21045	15.5
281.18964	11.4
294.23416	5.4
319.24194	6.2
337.25180	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.237
Annotation	Cervicol
Peak:m/z	Relative Intensity
52.00155	1.1
52.97508	1.1
53.03942	2.3
55.01854	5.1
55.02079	1.2
55.05268	1.1
55.05515	14.4
56.96551	3.9
57.03443	13.3
57.07069	1.1
59.04979	4.8
65.03932	2.5
67.05507	37.5
67.79916	1.2
69.03413	2.2
69.06741	1.2
69.07074	21.8
71.04996	9.0
71.56896	1.1
73.06555	7.3
79.05070	1.6
79.05499	21.4
81.03416	2.5
81.07056	23.0
82.14362	1.2
83.04975	4.1
83.08598	4.6
85.02926	1.3
85.06168	1.0
85.06552	12.6
91.05489	17.9
93.07049	21.7
95.04971	20.1
95.08617	18.1
97.06535	7.5
97.10137	3.1
98.97565	2.5
99.04444	1.4
99.08099	100.0
103.05440	1.3
105.07030	18.0
107.04932	6.1
107.08584	19.5
109.05804	2.0
109.06522	27.2
109.10150	5.0
111.08044	3.3
113.06027	1.4
117.07022	7.3
119.08585	15.1
121.06530	6.8
121.10168	11.0
123.04440	1.5
123.08071	11.7
123.11735	1.6
125.09614	5.2
127.07587	10.3
129.06972	4.5
131.08589	14.6
133.06477	3.7
133.10109	8.1
135.08063	20.6
135.11722	6.5
137.09569	4.1
141.09131	2.9
143.08568	6.6
145.06477	1.6
145.10144	10.6
147.08057	5.9
147.11667	4.0
149.09663	6.7
149.13275	1.7
151.11176	1.2
153.09116	2.8
157.10156	5.9
159.08122	1.8
159.11732	5.7
161.09627	6.2
161.13274	1.4
163.11163	5.4
167.10612	3.2
169.10136	1.4
169.75821	1.2
171.11644	4.4
173.09528	1.9
173.13219	2.8
175.11118	3.6
175.14771	1.3
177.12790	3.5
179.10675	1.2
183.11656	3.9
185.13322	2.0
187.11047	1.8
193.12163	1.6
195.11624	1.2
199.14835	1.7
201.12730	3.2
201.16393	1.3
203.12628	1.5
215.14293	1.4
217.15863	5.6
224.08195	1.8
227.17915	1.9
230.24301	1.3
233.15349	3.5
237.16391	1.7
238.13168	1.3
245.19019	2.6
249.18466	2.0
255.17453	5.7
273.18506	23.4
275.19907	2.9
277.21512	2.8
279.19632	6.1
281.21173	2.9
287.16577	1.3
287.20102	3.3
295.24402	1.4
305.17831	2.7
305.21112	34.2
314.16443	1.6
316.86630	1.2
319.19077	2.2
319.22549	13.8
337.14301	2.8
337.23373	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	337.132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
56.96566	30.1
61.11770	0.6
67.05505	3.7
69.07087	0.8
69.29156	1.9
69.29572	3.1
70.98128	4.2
71.95258	3.8
79.05488	2.7
81.03412	1.4
81.07057	3.8
83.04993	0.6
83.27833	0.5
85.06553	1.5
91.05490	1.7
91.06036	0.5
93.07032	2.1
95.08611	2.3
96.08952	0.7
97.87868	0.7
98.97585	100.0
99.30130	0.6
105.00176	0.8
105.07026	1.2
107.04924	0.7
107.08601	1.4
109.06541	2.0
109.10135	1.1
116.98627	41.3
117.06983	0.8
117.79234	0.5
119.08580	1.3
121.06541	0.8
121.10133	0.7
131.08578	1.0
133.10089	0.8
134.99658	11.5
135.11719	0.7
140.00195	6.7
151.00690	3.3
153.00681	0.7
153.02281	0.7
158.01265	2.0
159.11707	1.0
165.02243	1.0
167.03726	1.0
169.01730	5.9
177.12865	0.6
179.00151	0.6
181.01633	0.8
183.03345	3.0
185.04858	2.5
187.02824	3.1
199.06487	0.7
201.04401	1.1
203.05904	0.7
205.05447	1.0
221.08598	0.7
223.06429	1.5
231.06871	1.0
233.11729	0.7
237.08028	0.7
241.05290	1.2
243.06967	2.5
245.08514	1.9
249.07924	1.2
251.09544	0.9
259.06409	1.1
261.07980	8.8
263.09515	6.3
269.10501	0.8
275.09570	0.8
277.07959	1.5
277.11111	40.0
279.09064	7.5
281.10602	4.1
293.10553	6.3
295.12164	33.4
299.11725	0.9
302.10623	0.8
305.10831	1.0
305.20935	2.8
311.11707	5.8
318.13763	9.1
334.13388	0.9
337.13226	80.7
338.13718	1.0
355.14310	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	337.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	16.5
58.40518	1.4
69.03439	1.9
69.34216	4.5
69.34634	7.4
70.98125	10.6
84.15588	1.2
84.96039	3.3
85.01404	8.6
85.02903	3.3
88.99150	4.0
98.20731	2.5
98.97588	33.9
101.00884	5.1
103.02459	11.6
110.78630	1.4
110.97574	8.6
112.99110	2.0
113.00870	2.8
115.02437	9.6
116.98619	8.8
119.01931	3.9
121.03471	2.1
124.95475	2.9
127.02412	4.9
128.98589	14.1
129.04010	1.9
131.00157	3.7
131.01888	2.6
133.03470	100.0
134.99693	1.8
137.00838	5.3
139.02412	2.2
140.98540	1.7
141.03998	3.0
142.96463	2.2
143.01863	10.6
145.01653	2.6
145.03474	11.4
146.99651	10.5
151.04533	20.4
152.95006	1.7
155.01875	12.4
156.98082	8.4
157.01668	2.1
157.03484	5.9
158.99625	5.7
159.05031	6.3
161.02925	9.9
165.00752	3.2
169.03481	6.3
170.96016	6.0
170.99684	2.5
171.03731	1.5
171.05013	7.1
173.03015	3.2
174.99153	19.3
175.02982	3.0
175.04527	50.0
177.00731	2.3
181.03514	7.2
184.01602	2.1
184.97600	3.0
185.03061	2.0
186.99130	1.6
187.02866	1.4
187.04509	30.1
188.97133	8.7
189.00720	6.6
189.06068	12.3
193.00237	7.2
193.03479	1.8
193.05466	1.4
199.04492	7.6
201.06076	30.8
202.98621	5.2
203.04066	2.9
205.00145	3.7
207.01813	3.9
211.04530	31.6
211.06569	2.5
212.97005	1.7
217.00186	9.3
217.02100	3.3
217.05574	34.0
219.01714	9.0
219.07172	2.1
220.99696	2.4
221.05034	1.9
227.15230	1.5
229.05617	3.8
230.98135	7.0
235.01306	2.3
235.06639	3.3
237.02789	7.0
244.99654	6.8
247.01328	4.3
247.06775	2.7
248.99199	2.0
249.02866	3.2
255.03830	2.6
256.66248	1.4
263.00754	13.6
265.02463	1.5
271.06985	1.7
273.18735	1.6
277.02356	5.0
277.07788	36.6
293.89267	1.7
295.08878	94.0
296.09058	1.7
305.01785	1.9
318.10471	2.3
337.04471	3.0
337.09381	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	337.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	1.8
71.55203	2.2
77.11388	1.4
82.37440	1.5
84.33117	1.5
85.01397	9.1
98.97590	7.7
101.00870	6.2
103.02427	11.8
108.32283	1.2
110.97535	1.9
112.99120	3.0
113.00861	3.6
115.02441	7.3
119.01904	4.2
121.03468	2.7
125.00838	1.8
127.02375	4.8
131.01935	3.1
133.03471	98.8
137.00832	1.9
139.55113	1.4
140.56999	1.4
141.03941	2.4
143.01903	7.7
145.03461	11.0
151.04541	19.2
155.00697	1.8
155.01878	10.4
157.03474	5.1
158.99588	2.0
159.05031	5.0
161.02963	9.5
161.04128	1.5
161.79973	1.5
169.03439	5.9
171.05005	6.8
173.02945	3.1
175.02988	3.6
175.04523	48.4
181.03430	6.3
187.04520	26.0
189.06070	10.0
193.03618	2.8
199.04497	9.1
201.06116	26.8
203.03925	2.5
211.04535	25.4
217.05573	28.4
219.01785	2.5
221.05136	2.0
229.05667	2.4
235.06522	3.0
237.02831	2.6
244.33865	1.3
245.04987	1.6
247.06847	2.4
258.57605	1.5
277.07736	43.5
286.84692	1.6
287.33899	1.4
295.08771	100.0
296.08893	2.5
318.10349	1.8
337.09164	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00782	0.8
55.02290	0.8
56.96564	32.5
57.91051	0.7
58.03165	0.9
70.98123	15.0
71.55125	0.8
71.95247	2.5
72.96059	1.4
84.96034	7.1
85.33807	0.8
88.99155	5.8
91.70152	0.8
98.97584	100.0
110.97568	30.5
112.99132	11.2
115.00685	2.8
115.30689	0.8
116.98618	21.8
124.95486	6.4
124.99100	3.5
126.97011	1.6
128.98604	28.4
131.00160	7.4
133.01717	7.3
133.03482	0.8
134.99648	2.8
140.98555	6.4
142.96524	3.4
143.00163	6.2
144.98077	2.9
146.99658	16.8
149.01128	0.8
151.02769	1.9
152.94998	4.3
152.98604	6.1
156.98112	2.6
157.01741	1.2
158.99655	21.9
161.01233	2.6
162.99127	1.5
165.00754	4.3
170.96004	12.1
170.99689	8.5
172.97543	1.5
173.01207	2.1
174.99202	4.6
175.02785	6.5
177.00752	9.3
184.97597	6.6
186.99110	0.9
187.02792	1.7
188.49326	0.8
188.97073	13.7
189.00723	14.4
191.02313	1.1
193.00182	1.8
193.03831	1.5
201.00694	9.7
202.98657	8.0
205.00172	4.9
206.98126	3.9
207.01691	6.0
211.02827	1.7
212.97066	6.1
217.00253	3.5
217.03683	3.9
219.01770	44.0
220.99660	4.6
223.01225	1.6
229.03671	1.5
230.98163	14.5
232.96490	1.5
232.99741	1.3
235.01247	3.7
237.02814	29.0
240.46593	0.8
244.99678	18.0
247.01358	1.4
248.99205	3.2
249.02766	3.1
263.00751	24.0
267.03931	1.5
274.97455	1.2
277.02374	10.1
277.05951	34.7
281.01727	1.7
295.03738	2.7
295.06982	80.4
305.01578	2.0
318.08542	1.6
326.94373	1.0
337.05029	1.9
337.08060	46.5
355.08795	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94273	0.7
56.96301	1.4
56.96568	25.2
60.19240	0.8
64.40878	0.8
69.03417	2.2
70.07116	3.1
70.97731	1.3
70.98123	24.2
71.14657	0.7
71.95259	1.5
74.97614	1.0
84.96040	2.4
85.01409	1.9
85.02908	3.9
88.99162	15.3
97.02870	1.6
98.20860	1.0
98.97587	100.0
100.99129	1.4
101.00867	3.2
103.02435	3.0
107.00152	1.4
110.96832	1.6
110.97572	22.0
112.99136	5.8
113.00862	1.1
115.00738	1.2
115.02436	3.3
116.97828	1.6
116.98624	23.4
119.01906	2.0
123.63057	0.7
124.95473	2.8
124.99134	1.5
126.97108	0.8
127.02425	2.3
127.03909	2.2
128.97685	1.5
128.98607	21.5
129.76784	0.7
131.00157	4.8
131.01895	2.2
133.01727	1.3
133.03477	22.9
134.99638	2.9
140.00204	0.9
140.98627	1.8
142.96490	1.5
143.00148	3.5
143.01921	2.8
144.98065	0.9
145.03448	5.4
145.04945	1.1
146.99658	16.4
147.03107	0.9
149.01202	3.2
151.04539	4.4
152.94983	1.2
152.98622	0.9
155.01945	5.0
156.98090	16.5
157.03438	2.8
158.99664	12.3
159.05075	1.7
161.01210	1.4
161.02969	3.2
165.00754	5.1
169.03436	1.6
170.95987	4.2
170.99673	7.7
171.05048	1.7
172.97575	1.2
173.01216	7.4
173.02922	2.9
174.99152	40.9
175.02867	1.5
175.04521	10.0
177.00705	5.9
181.03415	1.5
182.99635	0.8
183.99785	0.8
184.01462	0.9
184.97586	2.4
185.02939	1.1
187.04474	6.8
188.97078	5.9
189.00717	18.8
189.02361	1.7
189.06100	2.7
191.02295	6.3
191.03908	1.3
193.00229	25.1
196.28500	0.8
199.04390	1.7
201.00786	1.4
201.06091	7.7
202.98727	4.2
203.02219	1.2
205.00229	3.6
207.01781	8.7
211.01212	2.0
211.04539	7.7
212.97078	1.8
217.00192	36.7
217.01962	4.5
217.05571	7.9
219.01741	6.0
220.99698	1.5
221.05023	1.1
223.01323	1.8
229.00157	2.0
229.02022	1.9
229.05592	1.6
230.03375	1.1
230.98138	5.6
233.03290	1.2
235.01245	36.2
237.02847	17.9
244.99727	5.4
247.01215	12.4
248.99217	1.3
249.02745	1.3
253.02361	4.3
255.03871	9.4
256.02451	1.0
258.02835	1.6
263.00760	13.0
265.02338	6.4
275.05927	1.0
277.02429	6.8
277.08026	8.2
281.01907	1.4
295.09070	20.7
305.01944	1.1
337.04410	8.4
337.08972	15.1
337.13809	1.5
355.08960	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2533
Annotation	Neovasipyridone C
Peak:m/z	Relative Intensity
53.03938	2.1
55.01874	2.4
55.05304	1.0
55.05515	10.7
56.05025	4.4
57.03418	2.2
57.07058	1.7
58.06585	2.4
60.04528	10.0
67.05507	19.6
69.07079	10.7
70.06603	2.1
71.00159	3.0
71.04980	2.5
74.11792	1.0
77.78882	0.9
79.05067	1.9
79.05497	26.8
80.05842	1.2
81.07061	25.6
82.06574	3.3
82.07394	2.6
83.04958	1.1
83.08614	3.3
84.08121	1.1
91.05483	12.9
93.07051	34.9
94.06553	2.5
94.07393	1.6
95.04982	2.0
95.08607	19.9
96.00769	1.0
96.08156	2.4
96.08943	1.6
97.06515	1.7
97.10171	2.9
97.99139	1.2
98.09694	10.1
105.07025	9.0
106.07351	1.2
107.08595	22.6
109.06516	1.3
109.10161	8.1
110.09667	2.6
112.11243	2.9
117.06998	2.7
119.08571	11.7
121.10149	16.3
122.09657	1.4
123.08080	1.7
123.11716	2.4
124.11230	19.9
131.08597	2.5
132.08905	1.6
133.10132	8.7
135.11685	18.1
137.09572	1.5
140.10686	1.7
143.08522	1.6
145.10103	6.0
147.11705	3.9
149.09624	1.6
149.13271	6.3
157.10129	1.9
159.11719	3.3
161.13274	3.1
161.25157	1.0
163.14862	1.5
171.11725	2.0
173.13205	1.7
174.99458	1.1
175.14832	1.7
177.12770	6.2
183.73119	1.2
185.13295	1.6
194.15344	4.0
212.16467	2.5
220.16946	2.2
238.18063	11.1
240.19785	1.1
241.19568	1.2
245.45793	1.0
259.20569	8.4
276.23325	6.2
277.21661	14.6
281.57895	1.1
289.30646	1.2
294.24335	9.7
300.23300	1.4
304.23438	2.3
318.24396	7.8
336.25372	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29417	0.8
50.36633	0.7
51.90786	0.8
52.94011	0.8
53.03942	2.0
53.32375	0.9
55.05511	8.9
56.05018	2.8
56.74741	0.8
56.96549	1.6
57.03436	2.1
57.07080	1.5
58.06601	8.2
60.04531	10.0
65.03935	1.6
67.05505	22.3
67.05859	0.8
68.05829	1.4
69.07073	8.4
70.06585	4.1
71.05000	1.3
71.57236	0.9
72.08154	2.1
79.05499	20.6
80.05799	1.0
81.06586	1.9
81.07059	30.9
82.06561	2.0
82.07378	1.7
83.04985	1.3
83.08607	4.8
84.08131	2.5
85.06536	2.1
91.05479	9.8
92.05821	1.4
93.06474	1.7
93.07046	28.5
94.06555	5.3
94.07362	1.6
95.04950	2.4
95.08060	1.6
95.08611	19.8
96.08118	3.7
96.08936	1.3
97.06550	1.9
97.10169	2.6
98.09673	3.7
100.07593	1.7
100.11263	1.1
105.07042	9.7
107.08593	15.2
108.08121	1.0
109.06529	1.7
109.10154	6.3
110.09665	3.7
111.08097	1.1
112.07571	1.2
117.07029	2.9
119.08595	6.7
120.08936	1.7
121.10141	12.5
122.09680	1.6
123.11721	2.0
124.11239	2.7
131.08571	3.5
133.10132	6.2
134.10542	1.1
135.08058	1.6
135.11699	8.5
143.08574	1.8
144.08809	0.9
145.10118	4.1
147.11690	3.6
149.13240	3.9
157.10115	1.1
159.11658	2.1
161.09622	0.9
161.13248	2.0
172.11952	1.0
173.13269	1.3
175.14767	1.7
177.12756	5.3
183.11436	1.0
185.13229	1.3
187.14790	1.2
192.01881	0.9
194.15465	2.4
195.13774	1.1
212.16350	1.5
236.16444	1.6
252.44485	0.8
254.17557	1.0
259.20590	2.8
260.20108	1.0
276.23260	3.4
277.21646	7.4
278.18069	1.1
278.21136	14.0
294.24274	11.8
318.24026	4.1
336.25375	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2169
Annotation	Ankorine
Peak:m/z	Relative Intensity
53.03925	1.2
55.01859	2.5
55.05505	3.4
56.96565	0.9
59.15387	0.7
65.03951	0.8
67.05503	10.0
68.04987	1.0
69.03430	0.9
69.07058	2.4
69.33780	4.7
69.34189	1.3
70.06580	1.9
74.58080	0.7
79.05052	1.4
79.05491	13.4
80.05028	1.1
80.30251	0.8
81.03409	1.6
81.07045	6.7
82.06561	1.4
83.04970	1.1
83.08617	1.0
91.05477	6.4
91.57589	0.7
93.07056	7.9
94.06572	5.2
95.04967	2.9
95.08617	5.2
96.08131	10.3
97.06541	1.9
97.10146	1.0
98.70271	0.8
98.97575	1.5
105.07059	5.0
106.06583	0.8
107.04964	7.1
107.08603	4.7
108.08131	1.4
109.05258	1.1
109.10174	1.7
112.07618	2.9
117.07076	1.3
118.06536	1.3
119.08581	3.3
120.08113	7.7
120.08933	1.2
121.06496	1.8
121.10157	1.9
122.06029	4.3
123.08062	1.5
124.07604	0.8
131.08545	1.7
133.06512	1.3
133.08899	1.7
133.10123	1.4
134.09615	0.9
135.11682	1.6
136.07579	19.9
136.80701	0.8
145.10149	1.0
146.09602	1.6
148.07571	11.2
149.08353	2.0
149.13142	1.2
150.09187	1.7
154.93959	0.9
159.11685	1.5
160.07509	1.1
160.11151	1.0
162.09163	1.0
163.09999	0.9
163.11189	4.5
171.11752	1.2
174.09172	2.2
176.10730	1.3
272.20050	2.3
282.18506	2.3
288.19547	0.7
290.21075	2.0
300.19589	28.4
316.11481	1.5
318.20645	100.0
336.25723	3.0
355.46719	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2169
Annotation	Ankorine
Peak:m/z	Relative Intensity
55.05505	6.7
56.05029	1.5
58.06588	1.9
60.04511	3.5
67.05505	7.1
67.17574	1.5
68.05040	1.4
69.03431	11.8
69.07056	6.0
70.06596	20.9
71.00015	3.6
71.04995	3.8
72.08157	31.8
79.05489	9.2
81.03417	1.8
81.07063	10.4
82.06574	4.3
83.04974	4.5
83.08635	4.3
84.04493	7.0
84.08141	6.4
85.02901	6.8
85.06545	3.9
86.06063	9.1
86.09704	13.8
86.24827	1.5
87.04474	23.8
91.05476	9.1
93.07036	8.2
94.06551	4.5
95.04958	3.6
95.08610	14.5
96.08100	2.2
97.02898	5.1
97.06532	30.4
98.06055	8.5
98.97582	1.8
102.05556	7.9
103.05463	2.3
104.07092	2.9
105.07033	17.2
107.04926	3.5
107.08606	14.7
108.08128	2.0
109.06526	8.6
109.10109	3.7
110.06092	2.0
112.07614	2.1
113.06027	1.9
113.09645	14.7
115.07610	1.4
116.07116	4.9
117.06999	3.5
119.08585	10.6
120.08126	10.2
121.06486	2.3
121.10126	9.9
122.09698	2.0
123.08049	4.5
124.07644	1.8
125.09653	3.0
126.09143	1.6
128.07086	5.5
129.07024	3.1
129.10194	1.7
130.05009	2.3
130.08670	1.4
131.08568	12.8
133.06540	1.9
133.09259	1.7
133.10118	9.5
135.08118	2.2
135.11684	3.2
136.07559	2.4
136.11234	2.3
137.06013	2.5
137.09654	4.5
138.09128	3.0
139.11205	4.8
143.11786	13.2
145.10133	23.7
147.08037	1.9
147.11681	13.3
148.07579	1.5
148.11163	2.2
149.09627	2.1
150.09117	2.5
152.10719	3.9
153.09076	2.0
155.10678	47.6
155.11925	3.1
156.10277	2.8
157.08820	2.7
157.10159	9.5
159.11676	8.4
162.09181	2.7
164.07095	2.9
166.08650	3.2
170.11710	1.7
171.11279	7.0
173.13289	3.7
175.11206	13.4
180.10185	2.5
182.11891	3.0
183.06563	6.0
185.16533	4.9
187.14839	2.3
194.11670	1.9
197.13190	3.7
198.11159	1.8
215.14304	11.1
216.12144	1.9
220.13503	1.7
229.65334	2.0
232.13509	1.5
234.14964	4.6
235.15688	5.6
236.16515	2.0
243.06233	1.4
250.14325	2.1
250.18221	1.8
260.16464	1.6
262.14426	1.9
278.17490	5.2
288.10535	2.5
300.16415	1.6
300.19739	2.7
318.11749	1.4
318.17230	3.0
318.20746	15.2
319.12265	2.1
336.14194	8.2
336.21750	100.0
337.21851	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50070	1.2
53.03928	2.2
55.01865	2.6
55.05513	18.4
57.03425	5.0
57.07069	1.9
58.99580	6.6
59.45147	1.3
60.04502	1.4
67.05503	24.1
69.03422	2.4
69.06725	2.0
69.07064	24.9
70.06596	1.3
71.05003	13.4
71.56212	2.0
76.02234	8.8
79.05489	15.9
80.86813	1.2
81.03387	1.2
81.07057	71.3
83.04974	5.7
83.08609	18.6
84.04493	3.0
85.02873	1.9
85.06543	19.9
86.09702	2.0
86.99033	4.2
87.04453	1.5
91.05478	16.9
93.07042	20.7
95.04935	1.3
95.08604	100.0
97.02933	1.5
97.06529	29.8
97.10133	8.0
98.97572	1.8
99.08085	13.6
105.00094	7.1
105.06302	1.7
105.07023	25.6
107.08583	10.4
109.06499	4.4
109.10156	8.8
111.08062	5.8
112.60768	1.2
113.09623	2.8
115.07551	1.8
117.06999	1.6
118.66740	1.1
119.08582	37.8
120.08080	2.2
120.62804	1.3
121.10156	13.7
122.02721	15.0
123.08057	6.3
127.07538	2.0
131.08527	2.1
133.10132	30.5
135.11687	20.1
137.05965	3.1
137.09581	3.7
137.13248	15.8
141.09097	3.0
147.66626	1.2
149.13254	3.0
158.99686	1.5
161.13254	95.9
167.14282	3.6
176.07031	4.3
179.14302	87.7
181.19341	1.1
185.15375	3.9
197.15363	81.8
205.10858	3.0
215.16420	17.9
222.05829	1.7
229.12541	6.7
247.13567	1.7
248.44084	1.4
255.14023	1.6
262.48996	1.4
267.14743	2.2
271.94699	1.4
272.16730	1.3
273.15140	10.2
274.18079	2.5
275.14096	2.6
283.15378	1.4
300.16263	2.0
301.14615	2.5
304.18076	11.1
318.11765	3.0
318.17120	6.8
318.20505	2.1
319.15707	38.9
336.13586	2.8
336.18280	32.7
336.21317	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02377	0.8
53.03940	2.0
55.01863	4.0
55.05264	1.0
55.05511	13.4
56.96558	1.4
57.03438	17.3
57.07078	3.2
65.03946	3.4
67.05505	67.3
69.06720	1.2
69.07068	13.7
69.79105	2.2
69.79513	1.3
71.04993	1.8
71.08631	2.0
77.03909	1.1
79.05495	42.6
81.03398	2.5
81.07059	78.0
83.04978	1.9
83.08615	8.1
85.06534	2.8
85.10185	0.8
91.04901	0.9
91.05482	23.7
93.07047	50.5
95.04975	5.2
95.08609	62.6
97.06535	6.3
97.10177	2.6
98.97562	0.7
99.08092	1.7
105.06392	1.2
105.07040	17.5
107.04967	2.2
107.07867	1.6
107.08600	33.2
109.06536	4.2
109.10161	22.1
111.08086	2.0
111.11760	0.9
111.24992	0.7
113.06030	0.7
117.07021	6.3
119.08591	16.4
121.06514	1.3
121.10146	24.2
123.08046	2.1
123.11713	8.6
125.09624	1.6
129.05482	4.4
129.06953	0.9
131.08578	13.1
133.00388	0.9
133.10127	11.5
135.08063	2.2
135.11694	14.9
137.09601	1.3
137.13252	2.5
139.11307	0.7
143.08604	0.6
145.10123	10.2
147.11684	8.2
149.09630	2.8
149.13257	7.9
151.11169	1.4
151.14809	1.6
153.12729	1.4
155.07042	1.6
155.08504	0.7
157.10133	1.2
159.11713	7.5
161.13242	7.2
163.11201	1.7
163.14803	5.9
165.12743	1.1
165.16388	0.7
169.10118	0.7
171.11754	1.4
173.13255	8.4
175.14827	4.6
177.12706	1.6
177.16386	2.5
179.14317	0.8
183.11737	1.1
185.13295	1.2
187.14716	3.3
189.12746	0.7
189.16435	1.3
191.14325	1.3
193.15945	0.7
195.11916	0.7
199.14894	0.8
201.16405	1.8
205.16022	0.8
209.15201	0.9
215.18057	0.9
217.15921	0.7
217.19507	2.5
219.21115	1.2
231.15886	1.2
233.15486	0.9
233.22658	1.9
243.21082	15.1
245.22728	1.1
257.12323	0.7
259.20609	0.8
261.22174	13.0
275.23639	1.8
277.21643	0.9
279.23141	1.7
280.81927	0.6
285.22034	1.6
291.23129	1.4
299.23672	0.8
303.23187	12.6
317.24805	8.5
321.69647	0.6
328.48282	0.7
335.21854	46.9
335.25818	100.0
336.26016	1.0
353.21851	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	2.6
53.03945	17.1
55.01874	19.9
55.05518	18.1
57.03438	11.2
57.07077	3.7
59.87691	2.0
65.03958	2.2
66.56791	2.0
67.05507	56.5
67.46696	1.9
69.07074	32.6
71.04971	2.4
71.17169	2.8
71.17496	4.3
73.06534	2.8
79.05500	41.0
81.03418	25.4
81.07061	77.1
83.04983	7.7
83.08636	10.8
85.06564	2.6
91.05479	56.1
93.07050	42.4
95.04972	13.0
95.08609	59.9
97.06530	40.9
97.10126	3.6
105.07040	58.9
105.07762	2.8
107.04980	6.4
107.08596	25.7
108.14132	2.0
109.06511	7.3
109.10161	23.8
117.07024	10.9
119.08576	35.4
121.06490	5.1
121.10151	22.8
123.08041	7.2
123.11715	4.1
131.08568	22.1
133.06569	3.1
133.10136	48.5
135.08115	5.2
135.11740	10.6
137.09648	7.3
139.07526	3.3
143.08577	3.7
145.10138	18.6
147.11658	18.8
149.09615	6.2
151.11182	6.9
155.08659	2.1
157.10236	3.3
159.11713	9.5
161.13258	5.5
163.14874	2.5
165.12801	4.4
173.13271	4.2
185.13257	4.1
187.14845	9.3
205.15948	7.1
207.17476	32.1
213.16289	2.6
231.17470	3.1
233.15469	2.7
237.18510	7.8
247.20602	38.5
263.20151	3.1
275.23752	10.0
285.22049	10.4
303.23196	100.0
314.47290	2.5
335.26047	13.0
353.32675	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03935	3.8
55.01869	11.3
55.05515	24.4
56.96560	3.0
57.03432	3.2
57.07079	1.8
65.03924	2.9
67.05505	55.8
69.03427	3.4
69.07066	35.0
69.18806	1.7
69.19206	14.4
71.04997	3.2
71.08624	1.7
73.06542	1.6
78.31118	1.5
79.05497	36.6
81.03419	8.3
81.07059	67.5
83.04964	4.7
83.08613	12.1
85.06532	3.8
87.08134	1.4
91.05479	35.9
93.07047	42.0
95.04964	26.6
95.08608	51.6
97.06530	19.5
97.10166	5.8
103.05452	1.5
105.07032	41.4
107.04970	4.1
107.08598	26.2
109.06512	13.4
109.10159	24.7
111.08079	4.5
117.07014	9.4
119.08578	42.7
121.06486	4.6
121.10136	14.9
123.08070	18.2
123.11707	6.4
125.09599	2.0
128.11523	1.4
129.07016	3.3
131.08565	15.6
133.10135	30.0
135.08067	4.9
135.11710	10.5
136.21864	1.4
137.09628	10.0
137.13217	1.9
143.08588	2.5
145.10144	15.9
147.11694	19.7
149.09660	7.9
149.13254	6.2
151.11183	5.2
157.10139	3.3
159.11671	9.2
161.09654	1.5
161.13257	10.3
163.11198	2.9
163.14844	2.9
169.10101	1.5
171.11639	2.8
173.13274	6.7
175.14793	6.0
177.12790	1.7
179.14333	2.0
180.07913	1.4
183.11639	1.8
185.13289	4.1
185.48584	1.5
187.14813	3.2
189.16391	2.4
191.14432	1.9
193.15923	2.3
197.13229	1.9
199.14882	1.8
201.16365	2.5
205.15894	1.7
205.69824	1.6
235.16875	1.8
247.16914	1.8
253.76640	1.3
257.22513	3.4
261.18576	1.7
275.23743	11.9
279.19525	1.9
285.22174	12.8
291.23007	1.4
296.92630	1.4
303.23184	100.0
307.26096	2.5
317.24854	13.4
335.22180	2.8
335.25876	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	335.258
Annotation	8alpha,13R-Epoxy-14-labden-19-oic acid
Peak:m/z	Relative Intensity
54.86299	0.6
55.01852	1.2
55.05517	7.0
55.56480	0.6
57.03425	1.1
57.07064	2.4
59.04990	0.8
59.78643	0.5
67.05506	8.9
69.03432	0.6
69.06781	0.6
69.07074	5.8
69.24074	5.8
71.04993	1.6
71.08286	0.5
71.08628	3.0
79.05486	5.7
81.07059	11.0
83.04984	1.4
83.08627	3.4
85.06528	1.3
91.05482	3.1
93.07046	7.4
95.04934	0.9
95.08608	13.4
97.06544	1.5
97.10183	1.7
99.08086	1.9
105.07014	3.2
107.08598	4.8
109.06519	10.8
109.10145	5.6
111.08058	1.7
115.44804	0.5
117.06979	1.2
119.08582	5.5
121.06523	0.8
121.10154	3.9
122.07266	1.3
123.08067	37.3
123.11687	1.5
125.09663	0.7
131.08543	2.5
133.10092	3.1
135.08063	4.4
135.11700	2.1
137.09644	4.3
137.13211	0.8
139.11136	0.8
145.10149	2.4
147.11702	1.2
149.09625	1.6
149.13263	1.0
151.11156	1.8
154.20819	0.7
159.11678	1.3
161.13266	1.3
163.11217	0.7
163.14745	0.7
165.12794	1.8
167.14265	0.9
169.10110	0.7
171.11707	0.5
173.13319	0.7
175.14827	0.9
177.12784	0.7
179.14313	43.9
187.14806	1.0
191.14337	0.9
193.15927	1.6
193.44072	0.6
201.16415	0.7
216.72229	0.6
219.17543	0.6
235.16972	0.8
243.21178	0.7
247.17003	0.5
261.22247	0.9
267.19476	0.7
275.23593	0.7
279.19556	5.3
303.23132	4.0
317.24857	1.1
335.25803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03940	4.2
55.01874	15.2
55.05514	16.0
55.58776	1.4
56.96555	4.0
57.03429	3.1
57.07070	4.3
59.04990	1.3
65.03952	1.7
67.05505	38.0
69.06728	2.0
69.07072	28.7
69.89532	5.7
71.04977	3.6
79.05066	2.6
79.05495	34.7
81.03396	3.4
81.06590	2.8
81.07062	48.5
83.04975	6.0
83.08626	9.7
85.06561	2.3
91.05485	32.0
93.07045	29.2
95.04961	6.7
95.07992	2.0
95.08604	32.0
97.06532	27.7
97.10132	2.7
105.06389	2.6
105.07039	33.8
107.04948	4.2
107.08604	60.6
109.06515	5.6
109.10162	15.7
111.08099	2.3
111.11716	2.8
117.07026	6.5
118.47677	1.9
119.08583	23.4
120.44534	1.5
121.06481	3.4
121.10148	15.1
123.08098	3.8
123.11729	4.1
125.09632	2.5
131.08582	14.1
133.10129	26.6
133.79828	1.5
135.08076	3.0
135.11703	16.6
136.59512	1.6
137.09628	4.5
143.08589	3.0
145.10129	18.5
147.11687	18.5
149.09622	11.2
149.13269	2.4
151.11137	2.7
153.12762	10.0
157.10083	2.1
159.11652	7.8
161.09627	1.6
161.13234	4.6
163.11163	6.9
163.14809	1.8
171.11763	2.0
173.13290	3.8
175.11206	2.3
175.14850	3.2
184.07254	1.7
185.13301	2.0
187.14842	3.5
201.14738	1.7
231.15935	19.2
247.20399	1.7
275.23660	5.8
285.22141	14.6
303.23193	100.0
304.23325	1.5
317.24811	12.5
335.18759	2.4
335.22607	2.7
335.25961	22.7
340.35699	1.5
353.19919	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	335.2219
Annotation	Excoecarin V2
Peak:m/z	Relative Intensity
53.03949	4.8
55.01860	5.3
55.05518	17.6
56.96566	10.8
65.03955	4.7
67.05506	58.4
69.03438	30.8
69.07072	24.2
70.06596	24.8
71.04990	8.2
72.08160	7.2
74.68107	3.6
79.05502	26.8
81.03424	14.0
81.07063	61.5
83.04996	10.4
83.08617	10.7
85.02922	7.7
85.06557	6.0
88.11271	4.2
91.05485	22.4
93.07051	65.0
95.04977	47.8
95.08613	61.3
96.08094	3.5
97.02925	5.5
97.06528	33.8
97.10136	6.2
98.97601	13.3
99.08099	8.7
100.11253	6.2
105.07025	57.3
107.04908	4.4
107.08594	100.0
109.06514	16.9
109.10154	64.2
111.04456	4.4
111.08063	9.8
115.55966	3.5
116.98623	6.1
119.08588	50.3
121.06469	5.7
121.10140	64.2
123.00813	10.6
123.04448	4.1
123.08064	17.4
123.11713	12.2
125.06020	6.4
125.09624	14.5
129.07103	3.7
131.08588	17.9
133.06516	5.9
133.10144	31.5
135.08064	18.0
135.11708	30.7
137.06006	7.4
137.09592	11.8
137.13283	5.5
141.01837	5.3
141.09079	4.2
143.08565	9.6
145.10106	20.8
147.08057	6.1
147.11693	48.8
149.09641	13.0
149.13269	34.5
151.11200	8.7
155.10696	6.0
157.10098	7.0
159.08089	5.7
159.11696	18.0
161.09602	9.2
161.13255	84.4
163.07477	4.1
163.11194	20.8
164.73035	4.2
165.12729	7.5
169.01289	21.8
170.15320	4.0
171.11720	14.5
173.13284	15.9
175.14813	15.1
177.09102	19.5
177.12642	19.9
177.16376	11.1
185.13293	4.4
187.14864	12.9
189.09009	7.4
189.12733	19.5
189.16367	9.5
191.14359	5.1
193.12228	6.7
197.13272	7.0
201.09390	4.1
203.10748	5.4
207.13814	14.2
211.14821	4.4
213.12814	5.9
213.16452	5.5
221.15262	5.0
227.17937	6.8
229.16063	5.3
229.19540	7.5
233.15442	7.7
243.13782	9.2
243.21010	21.7
245.14066	4.4
248.37106	4.2
253.19540	10.5
271.20499	45.7
274.17978	19.6
275.16565	24.7
281.18945	12.7
289.21603	57.2
298.92853	4.6
299.16681	7.7
299.20050	97.1
300.64828	4.1
317.21167	36.4
318.20337	5.9
335.11594	6.5
335.18500	25.0
335.22253	45.7
336.14261	6.8
336.21609	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	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.8
56.96566	1.1
57.03422	1.5
60.47226	0.6
65.24255	0.5
67.05504	4.5
69.07060	1.5
69.69444	0.9
69.69843	2.4
71.30873	0.5
79.05502	3.6
81.07053	4.9
91.05480	2.3
93.07057	4.0
95.04993	1.0
95.08601	4.1
97.10149	0.5
105.07021	1.9
107.08597	1.8
109.10153	1.9
117.06966	0.7
119.08578	1.8
121.10153	1.2
123.08056	0.5
123.11781	0.6
131.08592	1.2
133.10106	1.1
135.11703	1.2
145.10150	1.0
147.11697	1.2
149.13371	0.6
155.08501	0.5
157.89894	0.5
182.50923	0.4
243.21098	0.9
261.22040	0.7
261.37909	0.5
304.73709	0.5
335.21957	100.0
335.25687	8.1
336.22131	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.1
55.05515	5.6
57.03439	6.9
67.05508	23.4
69.07077	4.7
69.19765	8.1
72.43443	1.0
79.05501	12.2
81.07056	28.0
83.08619	3.0
91.05499	6.8
93.07045	13.5
95.04958	1.1
95.08611	23.9
97.06518	1.8
97.10154	1.6
105.07053	4.6
107.08584	9.6
109.10155	9.8
109.35184	0.8
117.07045	1.7
119.08582	4.5
121.10146	8.0
123.11713	3.4
131.08560	3.8
133.10139	4.2
135.11691	8.2
137.13303	1.0
145.10159	2.6
147.11705	4.4
149.13257	4.6
159.11691	2.9
161.13269	2.9
163.04071	0.9
163.14819	2.0
173.13298	2.4
175.14897	1.9
177.16382	1.6
181.39203	0.8
187.14685	1.6
211.97319	0.8
243.21089	4.7
261.22092	6.6
268.18658	0.8
317.24780	1.3
335.21909	100.0
335.25845	55.3
336.22406	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
57.03431	0.4
59.69031	0.3
62.11132	0.4
67.05502	1.8
67.37732	0.3
69.07053	1.1
69.39896	1.5
69.40320	1.5
79.05486	1.6
81.07059	2.0
81.09552	0.3
91.05479	0.8
93.07038	1.6
95.08624	1.9
97.06565	0.5
105.07034	0.8
107.08598	1.6
109.06551	0.5
109.10172	0.5
119.08588	0.9
121.10155	0.4
131.08597	0.5
133.10153	0.6
135.11679	0.6
136.20786	0.4
145.10136	0.6
181.72914	0.4
208.80470	0.4
221.11478	0.9
223.85808	0.3
256.89438	0.4
303.23206	0.8
317.20959	0.8
317.24841	0.4
335.21942	100.0
336.22314	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
55.05499	1.2
62.76606	0.4
67.05522	2.3
69.07059	1.2
69.43540	2.4
69.43950	0.7
70.46432	0.4
79.05476	1.9
81.07056	2.5
83.08591	0.5
91.05470	2.6
93.07050	1.7
95.08605	1.6
96.08884	0.4
105.07043	3.3
107.08589	0.9
108.74004	0.4
109.10143	0.6
117.07009	0.6
119.08578	2.4
120.08954	0.4
121.10157	0.5
131.08585	0.5
133.10106	2.3
135.11681	0.5
139.29407	0.4
141.96175	0.4
145.10132	1.0
146.10516	0.4
147.11708	1.0
182.97087	0.4
183.95612	0.4
241.11150	0.5
275.20062	3.9
276.20395	1.3
293.22922	0.6
335.21902	100.0
336.22208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2191
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
62.29673	0.5
71.16889	1.2
81.77242	0.5
86.72950	0.5
99.35617	0.5
105.66991	0.4
110.90695	0.5
145.21449	0.5
235.13101	0.9
335.21927	100.0
336.22195	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51823	0.5
55.01853	0.5
55.05502	2.8
57.03440	3.7
67.05172	0.8
67.05507	10.8
69.07072	3.2
70.64874	0.5
79.05489	6.2
81.07061	11.1
83.08615	1.3
91.05470	3.2
93.03230	0.4
93.07047	7.3
95.04972	0.5
95.07997	0.6
95.08607	10.2
95.09151	0.3
97.06548	0.5
105.07021	2.4
107.08595	4.2
109.10161	4.3
111.04565	0.5
117.06997	1.4
119.08583	2.1
121.10123	3.1
123.11704	1.1
131.08597	1.5
133.10132	1.4
135.11678	2.6
137.13234	0.5
143.08609	0.4
145.10135	1.8
147.11694	1.1
149.13281	1.9
158.10017	0.6
159.11655	0.5
161.13283	1.2
163.14787	0.6
173.13274	1.7
175.14745	0.7
235.12979	0.6
243.21060	1.8
261.22076	2.3
272.87625	0.5
335.21912	100.0
335.25812	25.5
336.22330	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01871	2.1
55.05508	9.1
56.96557	2.0
57.03442	11.5
57.07066	3.3
62.62112	0.7
65.03929	1.9
67.05504	44.1
69.07068	11.1
70.53819	2.8
71.04987	0.8
71.08605	1.4
79.05067	1.8
79.05496	26.4
79.13720	0.8
81.03397	1.4
81.07057	47.9
83.04992	1.4
83.08613	4.0
85.06533	2.0
91.05478	15.1
93.06477	1.8
93.07044	32.5
95.04978	2.4
95.08609	38.3
96.15218	0.9
97.06536	2.6
97.10159	1.6
98.20905	1.3
99.08054	1.0
101.74603	0.8
104.10732	1.0
105.07028	12.5
107.08597	23.7
109.06512	1.5
109.10159	16.6
109.10851	1.8
109.32059	0.8
111.08076	1.0
111.80405	0.8
117.06994	5.2
119.08582	10.3
121.10144	11.4
123.08045	1.9
123.11709	5.6
129.05470	3.1
131.08577	9.0
133.10143	8.2
135.08153	1.4
135.11691	10.2
137.13231	2.9
143.08545	1.4
145.06537	0.9
145.10164	6.4
147.11676	5.3
149.09659	1.8
149.13275	4.5
157.10165	1.2
159.11719	5.1
161.13280	4.2
163.11223	1.7
163.14844	3.5
171.11649	1.2
172.24727	0.9
173.13275	5.0
175.14754	1.6
177.12825	1.4
177.16418	1.6
178.71637	0.9
187.14793	1.9
197.13283	0.9
202.01416	0.9
217.19394	1.1
227.50632	1.0
243.21019	8.1
261.22171	8.3
266.21631	0.9
276.20264	1.1
303.23282	1.5
317.21246	1.7
317.24744	5.7
335.21802	100.0
335.25806	59.4
353.21652	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	335.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01867	1.4
55.05478	0.8
56.05038	1.2
56.96560	1.2
65.03934	4.1
66.19083	0.7
67.05502	4.7
69.03436	1.0
69.07069	100.0
70.06597	1.6
72.08141	0.9
76.04012	2.7
79.05502	3.1
80.05033	1.0
81.03407	1.3
81.07069	3.7
81.83061	0.8
84.04508	19.6
84.08114	1.2
85.02901	1.4
86.09743	1.4
87.04478	1.4
91.05511	2.4
92.05004	3.9
93.07087	0.9
94.06585	3.2
95.04957	1.6
95.08597	1.3
96.04516	0.7
96.08124	1.7
97.06528	21.8
97.07147	1.3
98.06061	1.2
98.97587	1.0
105.07051	2.1
107.08611	1.5
107.12757	0.8
108.04476	1.2
109.06497	1.0
112.07653	1.0
117.07017	1.0
118.29317	0.7
119.08617	1.2
121.06491	0.8
122.06023	9.1
124.07621	3.1
125.06039	1.3
130.04991	10.5
130.06506	0.9
131.07297	0.7
133.10150	1.0
134.06070	1.1
137.06001	2.4
137.77554	0.7
138.05533	2.7
140.07072	9.1
142.08711	0.9
144.08119	1.5
145.08884	2.1
146.09700	2.1
147.06845	1.2
148.03979	2.8
150.05507	92.4
152.07101	1.2
157.08905	1.4
158.09641	1.1
161.08388	2.9
162.03856	0.7
162.09198	1.8
165.04126	1.1
166.05000	31.7
167.07384	1.1
168.06633	2.1
170.09688	1.1
172.07590	1.1
172.11293	2.8
173.08369	1.7
173.13312	1.4
174.09187	1.4
174.12749	3.7
175.09991	2.3
176.03421	8.7
178.05038	2.2
185.08327	1.3
186.07684	1.7
188.07007	1.1
188.10757	1.7
190.12341	3.3
194.04463	4.0
198.07866	1.0
200.07166	1.0
200.10803	4.4
202.12231	4.3
204.10251	0.9
205.11063	2.7
206.11542	0.8
207.04944	0.9
215.11873	0.9
216.10121	3.8
218.11781	16.7
226.08812	1.3
227.11908	1.1
228.10210	9.4
229.13658	0.8
230.59976	2.3
234.11298	2.2
236.07457	1.7
237.16942	1.3
241.09933	1.1
243.11292	2.6
244.09706	0.9
245.12907	1.4
246.11285	13.3
252.61211	1.5
255.11325	1.1
256.09613	1.9
271.10727	4.0
272.09329	2.8
273.12518	3.0
273.18896	5.0
274.10849	2.2
275.06345	0.9
287.10254	9.9
289.11835	6.3
290.10257	2.0
295.61377	1.6
299.10324	4.0
300.08865	0.9
301.16837	3.4
304.12421	1.4
317.11292	15.0
317.21692	1.8
332.13229	2.5
335.12335	15.5
335.16006	1.4
335.19479	2.2
335.23199	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90392	0.9
55.05489	0.9
65.03935	3.5
66.07792	0.9
67.05493	3.9
69.07069	100.0
71.10311	1.3
73.78900	0.9
79.05493	2.4
80.05009	1.2
81.07078	5.3
82.45013	0.8
91.05477	1.3
92.04978	2.9
93.07047	1.8
94.06578	4.6
95.08589	1.2
97.06538	18.1
101.14880	1.0
104.24376	1.0
105.07048	1.1
108.04477	1.1
109.06459	2.2
109.10069	0.9
120.04464	1.3
120.39909	1.0
122.06024	10.0
124.07549	3.0
125.05988	1.9
131.07295	1.0
135.07968	1.3
137.05959	3.6
138.05482	5.7
140.07054	8.1
144.08040	2.8
145.08882	2.5
145.10143	2.7
146.09634	3.9
148.03934	3.1
150.05507	78.4
152.03371	1.1
157.08867	2.3
159.10397	1.1
160.11218	1.5
161.08345	2.9
162.09123	2.0
166.05003	28.0
168.06496	1.4
172.07581	2.7
172.11189	4.4
173.08295	2.0
173.09715	1.1
174.09126	2.8
174.12761	5.6
176.03412	7.1
178.04980	2.8
182.04387	1.1
186.07544	2.0
190.08620	1.0
190.12247	4.8
194.04485	3.8
199.06271	1.1
200.10736	7.8
202.12273	9.6
213.12656	1.2
216.10201	3.8
218.08322	1.8
218.11760	32.3
228.10197	16.4
229.13345	1.9
234.11215	3.9
243.11421	2.3
244.09663	2.9
245.12875	1.8
246.11273	33.0
256.09692	1.7
257.09286	1.7
266.86441	1.0
269.08987	1.0
271.07123	1.1
271.10776	4.4
272.09125	4.1
273.12311	3.8
274.10773	4.2
287.10175	7.1
289.11829	11.6
290.10129	1.7
299.10208	7.8
317.11295	30.1
335.12344	36.1
335.20538	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	335.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96298	1.8
56.96568	30.9
57.03421	2.5
60.39303	1.4
61.02921	2.8
69.03424	8.2
69.83205	7.7
70.06597	36.8
70.98129	19.2
71.04966	1.5
71.38373	1.3
73.02923	3.1
81.03405	3.2
82.99852	4.8
84.08187	1.3
85.02900	10.7
88.99181	7.6
91.57325	1.3
94.99879	1.8
97.02900	8.7
98.06060	4.2
98.97582	44.9
101.00889	26.2
103.02415	1.9
107.04938	1.5
110.06064	1.7
110.97572	8.9
112.99124	2.4
113.00854	7.9
115.02446	4.8
116.98620	16.3
119.01908	29.7
119.04942	2.5
120.05330	1.3
120.08096	7.4
123.04757	1.4
123.05565	9.9
126.06611	2.5
127.02379	3.5
127.03923	3.5
128.98627	12.3
129.03989	1.9
131.00189	4.3
131.01901	22.8
131.05565	9.0
133.03453	4.5
134.99673	4.0
136.06198	3.3
137.00830	3.7
137.05957	5.4
138.01620	2.0
138.05487	1.7
140.98633	1.8
143.01903	78.8
145.01715	3.7
145.03503	9.7
145.04623	1.8
146.99670	13.3
147.03159	4.4
147.04280	2.4
149.01219	4.0
149.06638	9.3
154.96567	6.8
155.01886	29.7
155.05576	3.8
156.02641	3.4
156.03700	2.8
157.03490	4.4
157.43352	1.5
158.99660	8.3
159.04980	2.9
161.02966	63.1
161.04930	2.9
163.02654	2.0
165.00745	6.6
167.01996	2.5
167.05611	2.4
169.03477	2.0
169.07091	1.5
170.99734	1.8
171.05092	1.8
172.94315	1.9
172.97589	23.4
173.01376	3.6
173.02986	22.9
173.04671	1.9
173.05031	2.9
173.06604	32.1
173.07950	2.1
177.00682	7.7
177.06058	4.0
184.04526	3.0
185.02992	4.5
185.06601	32.5
186.99170	2.0
187.04485	2.1
187.08113	7.0
189.00717	2.0
190.98640	31.1
191.00327	2.3
191.02289	2.6
191.05940	3.8
191.07655	8.3
195.01764	2.0
197.06569	3.5
199.08110	3.4
201.00728	2.2
203.04016	15.8
203.07623	20.8
205.00218	8.3
205.09207	2.2
208.99760	3.2
209.06657	2.2
214.95335	2.9
214.98654	4.7
215.05844	2.7
215.07631	13.0
217.09290	1.8
218.98108	11.3
219.01797	6.0
221.05075	34.2
223.01315	4.9
227.07590	5.3
228.05632	1.9
230.11815	2.6
232.96387	3.2
232.99698	25.9
233.08772	3.7
237.02841	7.1
244.57910	2.8
245.04959	3.8
245.06953	3.1
247.01222	4.3
248.12785	1.9
251.00751	11.3
256.13211	2.5
256.96420	2.5
257.08749	8.8
263.06140	4.0
265.02255	1.8
270.91080	2.2
274.97513	7.6
275.00754	16.3
275.09763	47.7
288.92261	4.1
292.98599	3.4
293.01889	10.0
293.10822	100.0
316.12375	2.7
317.18649	4.3
325.60599	3.4
326.09802	4.6
335.12027	90.7
335.19589	55.5
353.11194	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	335.074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	17.9
69.03406	6.4
69.56091	10.8
69.56509	31.8
70.98120	21.3
82.99840	8.6
85.02889	9.1
88.99179	9.4
97.02888	12.0
98.97601	27.8
101.00905	46.5
110.97565	11.2
113.00873	12.3
115.02399	7.3
116.98653	10.2
119.01921	35.0
127.02409	12.8
128.98605	17.0
131.01909	17.9
138.05545	6.4
143.01901	100.0
145.03479	23.9
146.99652	16.5
154.96529	10.3
155.01884	40.2
155.05553	5.5
157.03462	12.5
161.02980	54.4
167.02025	8.6
172.97639	12.8
173.02939	16.7
173.06638	28.5
185.02998	41.2
185.06595	39.2
187.08113	11.5
189.00816	10.8
190.98642	11.0
191.07657	9.3
199.17136	6.1
203.04007	21.1
203.05872	6.7
203.07726	18.2
215.03903	7.9
215.07712	9.8
219.01791	10.3
221.05058	20.0
227.07487	6.2
231.07837	6.4
232.99727	13.6
245.05054	42.3
263.06165	23.4
275.00748	8.9
275.06665	10.0
275.09784	44.7
293.10773	63.7
335.07318	86.1
335.11398	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37481	1.9
56.96566	76.6
69.03431	3.6
69.39308	6.3
69.39731	9.2
70.06599	17.2
70.98119	60.9
71.70353	1.9
71.72314	2.1
85.02910	5.6
88.89257	2.2
88.99168	17.0
96.63429	2.1
97.02892	4.6
98.21456	4.0
98.96942	3.9
98.97582	73.2
98.98206	3.8
101.00880	6.4
107.00220	2.7
110.97575	10.8
112.99139	4.4
113.00872	2.4
116.98621	23.3
119.01960	6.1
123.05560	5.2
127.03928	2.2
128.98602	28.6
131.00215	3.0
131.01930	3.5
134.99677	3.9
143.00165	2.6
143.01909	15.9
145.01700	3.7
145.03448	3.8
146.99654	34.9
149.01221	3.2
154.96527	36.8
155.01903	8.4
157.03548	2.5
158.99638	6.0
161.02971	11.5
165.00691	13.8
170.99759	2.3
172.94391	4.4
172.97583	94.0
173.01167	3.8
173.03027	3.0
173.06589	4.1
174.97688	2.1
174.99208	3.5
177.00732	4.4
185.02956	3.9
185.06615	8.4
186.99190	7.1
187.02817	2.3
188.72670	2.0
189.00705	4.2
190.98634	96.4
191.02278	8.2
191.07680	2.1
200.97067	12.3
203.07756	2.4
205.00189	26.4
208.99712	8.6
214.95485	2.3
214.98576	19.1
215.04128	2.1
218.98117	31.1
219.01830	5.6
221.05074	4.3
223.01244	13.5
231.01740	4.8
232.96303	4.2
232.99692	100.0
236.99225	6.2
237.02878	4.7
245.05077	3.4
247.01250	14.1
250.97943	3.9
251.00734	39.0
256.96481	4.7
260.99188	4.9
265.02393	4.2
274.97504	19.8
275.00760	54.5
275.03699	3.4
275.09753	6.2
292.98444	8.1
293.01740	45.1
293.05151	2.8
293.10846	14.1
311.02835	2.3
317.18579	3.5
335.03195	2.2
335.07086	3.9
335.11853	10.8
335.19601	35.5
335.95456	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75557	1.1
55.01855	4.8
55.05501	4.4
56.96560	2.1
57.03433	3.1
57.07053	3.7
64.78940	1.2
66.52789	1.1
67.05510	13.7
69.07058	8.4
71.04991	1.5
71.08632	10.1
72.04520	73.8
79.05503	8.3
81.07058	19.1
83.08582	2.0
85.06525	2.3
88.07633	1.9
91.05473	6.3
93.07043	12.1
94.08691	1.1
95.04977	16.1
95.08060	1.7
95.08612	23.6
97.02882	1.4
97.06547	6.1
98.20686	1.7
98.97590	3.1
99.08085	5.6
100.07613	2.3
105.07019	8.5
107.08606	12.2
109.06516	25.1
109.10143	7.7
114.09171	18.5
117.07008	1.4
119.08598	8.9
121.06487	4.1
121.10138	4.2
123.08099	2.9
123.11686	1.8
128.10716	6.7
131.08575	5.8
133.10135	10.5
135.08043	3.6
135.11662	1.9
137.09598	2.2
140.10678	1.5
142.12280	2.7
145.10101	4.7
147.11665	4.1
148.48055	1.3
149.09618	1.8
149.13240	4.0
154.12241	2.0
156.13831	3.0
157.10135	1.8
159.11670	1.5
161.13268	1.6
163.11194	1.7
163.14815	2.7
165.12762	100.0
166.12247	2.3
173.13268	7.6
175.11165	3.4
179.14348	2.0
180.13766	3.1
182.15433	16.4
183.11469	1.6
184.13293	2.6
187.14861	1.5
191.14307	9.0
201.12743	5.0
203.14294	1.2
212.16467	11.5
220.17001	12.7
229.19563	4.8
236.20093	49.8
243.21007	1.9
253.19447	2.1
266.21243	1.3
271.20462	8.0
289.21530	9.5
300.83139	1.3
316.26276	8.5
334.04962	1.4
334.21313	6.8
334.27390	83.5
335.21844	9.8
335.25818	9.0
359.95248	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.8
57.07066	1.1
58.06587	2.3
66.86037	0.9
67.05515	8.2
68.56012	1.0
69.07056	4.6
70.06585	3.4
71.56073	1.6
72.08154	5.6
72.49178	1.0
79.05501	9.6
81.07059	13.3
82.06577	5.0
83.08613	2.5
91.05489	6.5
93.07049	12.8
94.06585	7.7
95.08611	11.3
96.08144	2.0
97.10150	2.7
98.06072	6.5
105.07024	4.6
107.07353	2.4
107.08563	7.6
108.08095	5.7
109.10152	4.1
117.07068	1.0
119.08567	4.3
120.08105	3.5
121.10119	3.5
122.09643	6.3
123.08039	1.3
123.11739	1.4
124.07596	1.3
124.11242	2.2
131.08546	1.9
133.10124	2.9
134.09659	3.1
135.11705	3.4
136.07591	1.4
136.11217	25.9
137.09663	1.1
137.12012	1.1
145.10095	2.0
147.11694	2.1
148.11227	2.0
149.13263	1.6
162.12723	1.5
173.13306	1.3
178.12238	1.9
190.15814	1.3
218.15492	3.0
221.58040	1.0
248.16415	1.0
274.21677	1.3
284.20239	1.6
291.23221	2.5
302.21176	13.2
302.24872	5.6
306.24271	2.8
334.23709	12.6
334.27417	100.0
334.31030	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	334.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45586	1.2
55.05507	3.2
56.96550	2.8
57.03440	1.7
60.04520	2.5
67.05503	9.4
69.07058	3.6
69.95437	5.5
71.04945	1.6
72.04512	2.0
79.05495	5.8
81.07048	9.1
83.05044	1.3
83.08607	1.4
86.09689	2.1
89.42812	1.4
91.05491	7.4
93.07062	6.3
94.06583	1.3
95.08602	9.0
98.09647	1.7
98.97568	2.2
98.98466	2.5
103.36852	1.5
105.07030	6.5
107.08572	3.8
109.10129	2.3
116.29137	1.1
117.07064	1.7
119.08545	5.9
121.10120	2.4
123.08069	1.9
123.11766	1.6
131.08549	2.4
133.10106	3.0
135.11671	1.3
145.10126	2.0
147.11700	2.9
161.13242	1.7
163.11205	1.4
165.12737	3.1
173.13225	1.4
197.23546	1.1
198.96761	1.7
205.07297	1.2
208.29121	1.2
228.09734	1.1
257.18912	2.0
275.20114	10.1
285.64771	1.8
292.22717	6.0
311.11432	1.6
313.66180	2.6
334.20578	100.0
334.23880	12.1
335.21710	6.4
335.25851	4.7
337.43597	1.3
344.83698	1.4
351.64978	1.4
352.19275	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32552	0.6
53.03934	0.7
55.01858	1.2
56.96580	1.0
57.03428	1.9
61.02917	2.8
69.03437	5.8
70.06593	1.0
70.79522	1.5
70.81808	0.6
71.24098	0.6
73.02910	1.3
73.63673	0.7
77.02892	0.7
81.03428	2.8
81.07092	0.8
85.02910	24.3
91.03965	1.3
91.05488	10.7
97.02901	7.4
98.97598	1.8
99.04433	1.8
108.86912	0.7
109.02873	2.3
119.04975	7.3
127.03928	5.8
128.17613	0.6
137.05983	100.0
141.51016	0.7
145.04973	8.7
155.07048	10.2
163.06091	1.1
167.07117	0.8
172.09660	1.5
173.48503	0.7
179.07063	2.0
180.08687	4.9
203.07103	0.9
221.08170	1.3
223.86600	0.7
263.09280	1.5
269.17773	0.7
281.10553	0.9
321.33469	0.7
330.78207	0.7
334.09470	1.0
334.14243	1.5
334.18314	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
56.71302	0.6
56.96529	0.6
57.03415	1.7
57.75495	0.6
61.02935	3.7
64.20440	0.6
65.89864	0.6
69.03432	5.6
70.06599	0.8
70.83471	1.6
73.02899	1.2
77.52779	0.6
81.03403	2.1
81.07062	0.7
85.02908	25.5
87.04477	1.2
91.03943	1.9
91.05480	10.6
97.02892	8.7
98.97588	1.5
99.04443	1.4
109.02885	2.5
119.04946	8.1
127.03931	5.3
129.21860	0.6
137.05984	100.0
145.04971	7.6
151.07561	0.9
155.07042	9.5
161.06088	0.7
163.05998	1.0
165.05455	0.9
172.09654	0.8
179.07062	1.5
180.08653	4.4
199.51257	0.6
203.07144	0.6
263.09198	1.8
276.36282	0.6
281.10098	0.7
297.45407	0.7
316.18094	0.6
334.15079	1.4
334.18756	0.8
353.13913	0.6
359.15762	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01866	2.3
55.05497	1.7
55.30247	1.3
56.70322	1.4
56.96563	6.5
57.03425	5.2
57.56612	1.4
61.02913	6.9
65.03938	5.8
69.03436	14.5
69.74870	7.1
70.06590	6.9
72.08139	2.0
73.02924	8.2
81.03405	7.0
84.04507	2.0
85.02435	3.2
85.02911	49.5
85.29076	1.8
86.09715	3.9
91.03962	3.0
91.05473	5.9
93.03404	10.1
95.04962	1.6
97.02922	15.7
98.21516	2.3
98.97583	9.2
98.98496	3.4
99.04428	2.9
103.05437	1.9
109.02869	5.0
109.06511	4.5
110.97609	2.6
111.03706	2.7
111.04445	39.0
115.03899	2.6
116.98633	2.5
119.04945	4.4
123.05592	2.4
127.03917	12.0
128.98593	3.5
137.02367	21.4
137.05986	65.3
145.04941	10.8
154.08635	4.4
155.03404	100.0
155.06970	9.9
158.99643	2.9
165.05762	1.4
170.99699	2.3
172.09721	8.8
180.08641	4.1
187.55469	2.8
191.03931	1.7
210.99176	1.9
219.01718	2.4
227.12451	1.7
229.00203	3.7
231.01230	1.6
237.02786	2.3
247.96924	1.8
271.01529	1.6
273.48688	1.6
274.03595	2.0
291.14114	1.7
292.04736	2.0
316.17181	4.8
334.15164	3.3
334.18463	15.9
335.19672	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	334.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.2
56.96561	1.2
57.03433	1.6
61.02929	1.3
67.05486	0.6
69.03427	3.4
69.07047	0.6
69.32906	3.0
69.33318	1.5
70.06581	1.6
71.04987	2.0
72.08140	1.6
73.02906	0.8
74.06089	0.7
79.05489	1.7
81.03423	1.3
81.07064	6.6
83.08617	2.6
84.04472	0.8
84.08143	0.9
85.02901	9.0
85.06551	1.1
86.06049	0.7
86.09691	1.1
91.05450	0.9
93.07007	0.8
95.04935	0.8
97.02905	3.5
98.06078	0.6
98.09693	1.2
98.97592	2.3
98.98451	1.0
99.08087	0.9
102.05643	0.5
106.55966	0.6
108.08116	1.6
109.06512	5.7
110.97537	0.8
111.08112	0.8
116.98624	1.5
122.03638	1.8
126.09160	16.1
127.03931	1.4
127.07558	6.5
128.98624	0.8
137.05981	36.5
145.04984	1.3
147.04341	0.6
154.07362	1.2
154.08633	23.2
155.02036	0.5
155.07037	11.3
158.99670	0.7
160.02986	0.6
172.03719	1.9
172.09694	40.7
185.04283	0.7
219.01814	0.6
221.05093	0.8
237.02705	0.8
262.56342	0.5
311.66827	0.9
316.17352	0.7
334.08984	100.0
334.18417	2.2
335.09567	0.8
350.05804	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45231	0.5
56.24117	0.5
57.07069	1.5
62.94781	0.6
67.05486	0.8
67.41032	0.6
69.07037	0.7
69.54308	1.0
69.54719	2.7
69.58678	0.6
81.07039	1.1
89.06007	1.7
95.08566	1.0
98.98471	5.6
119.08562	0.7
151.09647	1.1
258.85953	0.5
333.23993	100.0
334.24225	0.7
340.06067	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
56.34135	0.7
56.96561	2.0
57.03421	1.5
67.05511	1.2
69.03432	2.4
69.07079	0.9
70.06574	3.6
70.90527	0.8
71.05003	1.6
71.55724	0.8
72.08141	1.4
73.02885	0.9
77.07639	0.8
79.05495	1.8
81.03416	1.5
81.07062	2.1
84.04549	1.0
84.08133	1.5
85.02914	6.8
86.09698	1.6
89.81759	0.8
91.05496	1.4
92.58458	0.8
93.07057	0.9
94.06551	1.6
95.04966	2.7
97.02881	2.3
97.06560	1.0
98.97585	4.0
98.98483	1.4
109.06486	1.8
110.97583	1.3
112.07614	0.8
113.09644	2.1
116.98602	1.5
119.04953	1.2
120.08080	0.9
126.09135	3.4
127.03905	2.0
127.07546	5.4
128.98683	1.0
132.04468	1.1
136.11259	1.3
137.05981	2.1
145.04982	1.5
147.04430	2.2
154.08641	3.6
155.07030	5.4
158.99596	0.8
172.03777	1.0
172.07579	1.0
172.09669	9.3
176.08382	0.8
194.11772	1.2
219.01825	0.9
223.14160	0.9
236.16454	0.9
251.56572	1.4
272.80246	0.9
284.08881	0.9
311.05936	1.0
316.17371	0.9
334.08981	100.0
334.19208	2.9
358.08139	0.8
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
52.88537	0.4
69.93948	2.6
78.03457	0.5
82.96008	0.5
84.66364	0.5
90.44395	0.6
98.98461	0.9
166.13873	0.6
188.98222	0.4
315.18973	0.6
333.20383	100.0
334.20767	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	28.7
59.39002	1.0
67.05510	1.1
70.81380	1.4
70.81706	2.5
71.95288	5.5
72.72345	1.0
74.97599	1.4
81.07063	1.5
84.96026	2.4
93.07061	1.4
93.35303	1.0
97.96803	2.9
98.98492	2.7
105.00155	1.4
110.97580	16.1
115.45383	1.2
115.69562	1.1
116.04305	1.0
116.98621	1.5
119.08501	1.1
124.99049	1.2
128.98610	13.6
131.00031	1.9
137.02742	2.1
137.55272	1.2
140.98450	2.7
143.00119	4.4
146.99672	5.6
149.01175	1.2
152.00215	2.1
153.02269	1.3
155.00096	1.3
161.01172	1.7
166.99971	1.5
169.01598	1.3
171.03300	2.8
174.98987	2.7
185.01021	1.2
185.04906	1.6
189.00607	2.3
203.03822	1.2
203.05829	2.1
241.11127	2.5
245.08493	1.4
263.09546	5.1
264.10367	1.5
265.10925	2.1
303.12619	1.7
315.16235	44.7
315.19403	23.1
331.15753	2.2
333.17218	67.5
333.20383	100.0
334.20963	1.4
351.18472	20.0
356.18951	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	333.2034
Annotation	PGB3
Peak:m/z	Relative Intensity
52.22157	0.7
57.18645	0.5
59.37881	0.5
63.98467	0.7
69.76359	0.5
69.97309	1.1
69.97694	1.3
77.71221	0.5
126.65976	0.6
126.98443	0.6
135.11638	0.7
186.83586	0.7
247.13100	1.8
267.41901	0.6
281.04367	0.6
285.24570	0.6
315.19272	7.0
333.20380	100.0
355.27655	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46508	0.3
69.93517	0.7
69.93927	1.2
71.95621	0.3
79.05515	0.5
81.07035	0.5
83.84249	0.4
91.05476	0.3
93.07050	0.4
98.98471	1.0
120.82291	0.3
131.08553	0.3
131.19505	0.3
147.11771	0.4
194.94453	0.3
206.31514	0.3
214.81061	0.3
235.12993	1.1
261.35773	0.3
263.12598	0.6
289.25742	0.3
333.20361	100.0
334.20789	0.9
336.24683	0.3
351.18448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75884	0.4
55.05502	1.5
57.03425	1.5
57.28355	0.4
67.05492	1.9
69.07063	1.3
69.25925	3.1
69.26344	1.2
79.05480	2.6
81.07048	2.9
88.57677	0.4
91.05482	3.7
93.07031	3.0
95.08623	2.0
97.06548	0.5
98.98466	2.0
105.07030	7.4
107.08593	2.2
109.10188	0.6
117.07047	0.7
119.08565	5.5
121.10159	0.9
131.08583	1.7
133.10133	3.7
135.11725	1.5
143.08553	0.8
145.10150	1.6
147.11678	1.5
157.10168	0.7
159.11662	2.1
161.13203	0.8
171.11699	0.8
173.13275	1.4
181.01646	0.5
185.13200	0.5
193.06769	0.4
200.43881	0.4
241.19545	2.1
245.12405	0.6
259.20642	1.6
315.23047	0.5
330.19193	0.5
333.20413	100.0
333.24228	10.6
334.20499	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1908
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03944	3.7
55.01863	6.1
55.05504	7.8
57.03445	9.1
57.07083	18.3
58.33668	1.9
59.05001	12.7
61.02928	13.7
67.05505	15.0
67.46899	1.8
69.03436	30.6
69.07067	18.2
69.50711	9.6
69.51128	4.2
70.06584	4.6
71.04995	9.6
73.02909	7.6
75.25846	1.7
79.05475	6.2
81.03410	14.1
81.07058	9.5
83.01318	2.5
83.04991	4.6
83.08605	6.1
84.08124	1.8
85.02908	100.0
85.06563	15.0
86.06070	7.2
86.09676	2.9
87.04458	8.3
91.03954	7.1
91.05458	5.5
92.05808	2.8
93.07065	10.9
95.04978	5.5
95.08607	73.6
97.02903	31.5
97.06545	11.6
98.06039	4.2
98.21490	4.8
98.98467	9.6
99.04451	8.0
99.06384	2.6
99.08089	19.2
99.25616	1.9
105.06996	2.7
106.07352	2.1
107.08601	18.1
109.02871	9.0
109.06548	9.9
109.10151	23.3
111.08076	9.8
111.11730	3.1
113.09652	97.3
115.03939	2.0
117.06966	2.6
119.08573	2.6
127.03901	22.4
127.11205	51.3
129.06964	2.9
131.08607	2.4
133.04776	2.6
135.08031	2.4
135.11717	20.0
137.06035	2.1
137.13251	7.3
145.04990	29.9
149.09636	2.4
150.10008	2.1
153.12750	96.7
155.14311	18.5
157.01067	2.7
164.06987	3.3
166.66823	2.0
169.12256	3.0
171.05580	3.1
171.12395	3.5
171.13817	70.2
175.07608	2.3
177.05470	4.1
177.12650	2.7
195.13834	3.1
211.40201	2.1
212.13631	3.6
212.69244	2.0
213.14873	5.1
230.11880	2.3
252.09268	2.2
255.07748	2.0
260.12854	2.1
263.41626	2.1
269.09241	4.0
287.13815	3.0
289.18573	4.5
305.06485	2.4
305.65033	2.0
315.10007	4.4
315.13760	3.3
315.20126	21.2
333.10831	4.7
333.14505	3.9
333.18097	20.1
333.24728	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	333.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.2
57.40773	0.3
68.94862	0.3
69.03414	0.6
70.06587	0.6
70.79910	0.8
82.70045	0.3
85.02877	0.9
97.02873	0.5
98.06063	0.4
98.97561	1.1
98.98445	1.0
118.30125	0.3
135.04376	0.4
144.01305	0.3
147.04503	0.5
158.99678	0.4
171.09973	2.1
192.10162	0.3
219.03473	0.3
227.08096	0.6
231.05309	0.3
241.09805	0.5
243.08780	0.4
266.53430	0.3
269.09192	0.6
275.94434	0.3
297.08609	0.4
315.09796	2.8
315.17047	0.5
333.15173	100.0
334.15503	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.3313
Annotation	Piptamine(antibiotic)
Peak:m/z	Relative Intensity
53.14344	0.3
56.96561	1.3
57.07079	1.6
58.06603	34.2
65.03946	2.3
69.07063	0.8
71.08627	0.6
71.56688	0.4
72.08157	0.3
79.05499	0.4
81.07049	0.5
85.10168	0.5
88.07632	0.6
91.05485	97.9
93.06988	0.3
95.08640	0.7
98.98472	4.3
119.08590	4.4
135.88399	0.3
178.19531	0.4
215.96896	0.4
240.26872	22.8
258.64850	0.4
279.12573	0.4
291.12650	0.5
314.27756	0.8
332.33124	100.0
333.17300	2.6
333.20667	0.4
333.33517	0.8
351.18326	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.05495	1.8
56.05028	0.8
56.96544	2.0
57.03416	0.8
58.06602	0.8
60.04221	1.0
60.04524	19.0
60.08160	1.8
61.02913	0.9
67.05506	2.7
68.05038	0.8
69.03416	2.2
69.07059	2.1
70.02935	0.9
70.06577	1.4
71.04993	0.7
71.56462	0.9
72.04530	0.8
72.08157	0.7
73.02923	0.8
79.05486	2.6
80.05008	0.7
80.74760	0.5
81.03407	2.1
81.07046	3.5
83.04971	2.4
83.08597	1.1
84.08137	1.6
85.02901	2.9
86.06082	4.5
86.09705	72.9
87.04478	4.3
87.05592	15.1
91.05484	2.9
92.05813	1.0
93.07030	2.4
94.06556	0.7
95.04956	1.3
95.06068	0.8
95.08604	1.8
97.02884	1.9
97.06524	2.4
97.10147	0.6
98.06055	3.4
98.97590	3.3
98.98462	5.3
99.09533	0.5
99.86683	0.5
103.05459	0.5
104.07094	3.7
104.10763	0.8
105.07032	2.5
107.04948	1.4
107.08595	1.6
109.06542	0.6
109.10123	0.8
110.06058	0.6
110.09650	0.7
110.97575	0.7
111.08080	0.7
112.07590	1.6
112.11259	0.8
116.98605	1.0
119.04903	0.7
119.08565	1.5
120.08131	0.6
121.10118	1.3
122.02728	0.9
124.07573	0.8
125.88277	0.6
126.05491	0.7
128.10712	8.4
129.07005	0.8
131.00186	1.4
131.08556	1.3
132.10196	5.2
133.10085	1.0
135.11623	0.7
137.05989	3.6
137.77998	0.5
138.06335	1.9
138.12839	0.7
143.00214	0.8
147.11703	0.9
148.07509	0.7
149.05960	0.6
149.09598	2.7
151.07538	3.2
152.07866	2.1
161.05823	0.7
162.06583	0.9
163.07458	0.7
173.12859	100.0
175.11279	1.1
189.09085	0.7
190.09494	0.9
193.12225	2.1
194.10387	0.7
196.08334	1.3
201.12349	36.9
210.14874	1.3
211.13242	3.5
218.08095	0.7
218.22588	0.6
226.09453	0.6
228.10817	1.2
245.12904	0.6
245.18559	2.8
251.08569	5.3
251.58990	0.7
252.15961	1.8
254.08954	0.8
254.12639	1.2
256.10406	1.3
260.12643	0.7
270.17126	1.1
283.08514	1.2
286.11713	0.8
288.13043	2.3
288.18390	2.7
296.18478	0.9
314.14349	1.1
314.19754	16.4
332.11243	3.8
332.14932	1.9
332.18149	3.7
332.24316	23.8
332.61020	0.7
343.08176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44426	0.6
54.31518	0.6
55.01864	0.8
55.05518	3.2
56.05025	2.6
56.97318	0.6
61.70130	0.6
65.39001	0.6
67.01425	0.6
67.05503	4.8
69.03431	3.5
69.07059	1.9
69.74089	3.0
70.06588	2.3
70.12812	0.5
71.04978	2.2
79.05479	3.8
80.05018	1.3
81.03408	4.2
81.07062	8.0
83.05004	2.9
83.08614	2.8
84.04500	2.7
85.02905	1.3
86.06071	21.6
87.04469	20.9
91.05479	2.0
93.07031	4.8
94.06557	0.7
95.04937	1.5
95.08600	4.1
96.08139	1.3
97.06536	4.0
97.10162	1.0
98.06065	8.3
98.21532	0.6
102.05521	1.5
104.07104	18.8
104.07796	1.1
105.07018	2.6
107.08592	2.5
109.10169	0.9
110.06073	0.9
111.08076	0.9
112.07613	7.3
117.07001	0.7
119.08565	1.4
121.10115	2.5
123.07980	0.8
124.07591	4.3
126.05556	1.1
129.07034	1.1
129.33824	0.6
131.08539	2.0
133.06454	0.7
133.10118	1.9
135.11674	1.0
138.09122	1.1
138.12747	1.2
140.07022	1.3
142.08678	3.1
147.11676	2.3
149.09624	9.1
149.13272	1.2
157.10143	1.3
158.08116	2.7
165.12743	1.6
166.12262	1.0
175.11162	1.9
182.15364	1.8
184.13353	1.6
192.13884	1.4
193.12236	5.4
194.15390	0.8
194.81230	0.6
195.13866	1.5
210.14882	6.3
211.13284	10.4
211.79840	0.7
212.16472	0.7
213.14914	1.0
224.16435	0.8
228.15994	2.0
250.17842	1.5
252.15964	2.4
260.16483	1.7
268.19028	1.4
270.17001	7.1
278.17508	3.7
282.42719	0.7
286.19983	0.9
288.18060	6.0
296.18649	3.6
314.19617	100.0
315.19907	0.9
332.20673	2.8
332.24249	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
55.05492	0.8
56.05019	0.9
58.06598	0.4
62.54073	0.3
65.03933	0.4
66.14350	0.3
67.05492	0.9
69.03412	1.2
69.07069	2.8
69.93241	0.7
69.93652	1.0
70.06595	3.7
71.04987	0.6
72.08147	1.4
73.06543	0.5
74.06075	0.8
79.05486	1.6
79.69617	0.3
81.03445	0.5
81.07057	1.8
83.04977	1.0
84.04501	0.8
84.08111	0.6
85.02919	1.5
86.05582	0.5
86.06068	6.0
86.09690	1.2
87.04466	5.1
91.05497	3.7
93.07043	2.1
95.04952	0.8
95.08593	2.7
96.08143	0.9
97.02943	0.5
97.06518	0.9
97.10189	0.3
98.06056	16.0
98.09686	0.5
98.97602	0.7
98.98461	2.4
99.04449	0.4
101.07139	0.5
103.05431	0.6
104.07095	0.5
105.07029	1.3
107.04950	2.6
107.08573	0.4
109.06495	0.7
110.05989	0.5
110.09656	0.3
112.07607	0.5
115.05465	1.3
116.10741	1.7
117.07030	0.5
118.06541	0.7
119.04938	2.1
119.08575	0.6
121.02863	1.4
121.06509	3.6
121.10146	1.7
123.04427	1.4
124.07587	0.7
126.05521	3.8
128.07083	0.5
128.10712	0.5
131.04948	0.4
131.08568	0.9
133.06497	2.4
137.05977	100.0
138.06372	0.5
140.07121	0.6
141.09154	0.6
142.08621	1.2
143.04913	1.6
144.95747	0.4
145.06483	1.0
146.06007	0.7
147.04416	5.0
147.08012	0.7
149.06046	0.5
149.09631	3.5
151.07584	1.5
152.07092	0.8
154.08636	14.2
157.06403	0.4
158.97417	0.5
161.05978	3.6
164.07074	7.3
164.08389	0.5
165.05414	0.6
166.12305	1.4
167.08490	0.8
168.10156	0.4
170.11784	0.5
171.04459	0.7
173.12871	2.9
173.26198	0.3
175.07570	0.5
177.07083	0.6
179.07036	40.9
180.06551	3.1
181.06551	0.4
182.11732	0.4
184.13309	2.1
186.52742	0.3
189.05460	11.6
195.08063	6.6
195.09802	0.5
196.08351	0.4
198.06873	0.4
200.12823	7.8
201.12282	0.9
202.14397	0.3
206.07953	0.5
206.15419	1.1
208.08720	0.4
209.09595	0.4
211.13309	0.6
212.16478	1.7
213.09145	1.1
216.98085	0.4
218.13861	0.9
219.10185	0.4
220.10512	0.4
221.08095	11.9
223.07529	4.3
224.16452	1.7
226.06262	0.9
231.12083	0.6
234.14911	1.3
234.99033	1.2
238.10687	0.4
241.08585	13.6
245.13689	0.7
252.15962	6.9
255.10040	0.4
256.13266	1.0
257.13647	3.0
258.11414	0.6
260.12842	2.2
263.14835	0.5
269.11713	0.5
270.16934	0.5
271.15051	0.4
282.16797	0.7
283.09668	4.7
288.18063	21.8
297.11322	0.9
300.12280	0.4
300.18011	1.3
314.19629	7.7
315.12207	5.5
332.14923	14.1
332.20657	11.7
344.05042	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1341
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
50.06670	0.6
53.03942	0.9
56.96569	3.1
57.03436	1.9
61.02919	3.4
65.03933	1.4
67.05498	2.1
69.03434	8.2
70.84629	1.3
71.05005	0.9
72.78121	0.5
73.02921	2.8
79.05501	1.8
81.03418	2.5
81.07072	0.9
82.29760	0.6
83.67207	0.6
84.08130	0.5
85.02907	9.9
87.04465	1.6
91.03960	0.7
96.08143	1.7
97.02891	4.4
98.97588	5.4
99.04460	1.6
106.06558	5.9
108.08121	100.0
109.02872	1.8
110.97557	0.8
116.98647	1.6
123.06789	4.2
124.07595	17.4
127.03944	3.9
128.07149	0.7
128.98602	0.8
130.93260	0.8
134.06033	11.1
134.26222	0.6
136.07581	13.6
136.08569	1.3
145.05009	1.8
152.07068	75.6
154.08624	2.0
158.99689	0.8
161.04494	3.7
161.05728	1.4
161.55682	0.7
170.05020	3.1
170.08118	10.0
170.09370	1.1
172.94362	1.2
177.04353	1.5
189.00636	0.8
199.97879	1.3
214.95389	1.2
217.98917	1.9
218.94725	1.3
218.98578	0.9
219.01874	2.2
219.07188	0.9
232.96440	0.8
235.99969	0.6
236.95804	1.1
242.07350	3.5
246.98106	1.1
251.07881	3.6
251.58067	0.8
258.52591	0.7
274.97571	0.8
290.00922	1.5
298.02509	0.6
308.02173	1.0
314.12341	38.6
321.09964	1.0
332.13419	73.4
333.13812	0.7
350.04074	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.4
56.96579	1.7
57.03437	0.6
61.02939	0.5
67.05518	0.4
69.03429	2.2
69.07079	1.1
70.06595	0.6
70.08051	1.6
72.08158	5.0
72.78101	0.4
73.02922	0.8
78.92964	0.4
79.05502	0.4
81.03419	0.6
84.04520	1.6
84.08153	0.9
85.02908	4.1
86.09708	11.6
87.04469	0.6
90.05582	1.2
91.05498	0.9
91.11807	0.4
95.51968	0.4
97.02898	1.3
98.97615	3.3
98.98483	10.2
102.05563	0.5
105.06970	0.6
106.06543	0.4
107.04939	0.7
107.08621	0.4
108.08133	1.9
109.02914	0.5
110.97609	0.8
115.05428	0.5
116.98618	1.1
117.07027	0.9
118.06536	2.1
119.07350	2.3
119.69981	0.3
120.06579	0.4
124.07577	1.1
125.00008	16.3
127.03920	0.7
132.08080	0.4
134.09653	24.8
135.04440	0.7
136.87238	0.4
137.05971	1.9
144.08089	5.4
145.04991	1.6
145.08905	2.8
146.99602	0.4
147.08052	0.4
149.05963	0.4
152.07086	2.0
153.05504	0.8
158.99657	0.7
160.11221	44.3
162.09180	0.5
163.09933	0.5
170.08115	1.0
171.65085	0.4
174.05461	0.6
177.00752	0.5
178.12273	100.0
179.12492	0.5
185.04771	0.5
185.16504	5.5
189.04204	0.5
189.06012	0.6
191.06940	0.4
197.12880	0.9
198.06367	0.5
213.15981	2.8
215.13858	1.2
219.01712	1.2
225.12241	0.7
231.32567	0.4
234.98959	0.4
237.02742	1.0
243.13426	0.5
258.08911	7.3
262.98474	0.5
301.83142	0.4
314.12201	1.5
323.62711	0.4
332.07407	1.9
332.12668	18.9
332.20404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2841
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
55.05508	11.2
57.03441	9.4
57.07076	100.0
67.05502	29.4
68.60629	1.1
69.07066	18.8
70.68734	4.0
71.08632	77.6
75.04486	3.1
77.35459	1.3
77.86374	1.1
79.05483	1.6
81.07055	41.0
83.08624	27.6
84.58079	1.3
85.06546	1.5
85.10183	46.3
89.06039	1.3
91.05440	1.4
93.07046	4.0
95.08609	66.0
97.06471	1.8
97.10156	14.9
98.98467	87.1
99.11766	1.5
105.07033	1.8
107.08645	1.4
109.09465	2.3
109.10161	31.9
111.11711	5.0
119.08575	2.2
123.11703	14.9
125.13283	4.7
127.03923	2.1
131.08585	1.5
137.13254	7.9
139.14882	1.7
151.14815	2.7
165.16356	2.0
174.99214	4.3
176.98938	8.4
187.18159	1.3
191.14171	1.4
221.22675	2.7
239.23668	32.4
252.99774	1.5
257.24710	8.4
298.27615	2.0
313.27365	92.3
316.05551	2.0
331.08075	6.4
331.22391	4.0
331.34024	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2842
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
52.02920	1.3
53.63702	1.1
55.05512	12.4
57.03444	5.9
57.07078	100.0
65.82404	1.1
67.05508	28.9
69.07071	22.3
70.06567	3.3
71.08634	77.5
75.04456	4.1
79.05482	3.5
80.16932	1.0
81.06596	1.8
81.07059	35.8
83.08151	1.7
83.08620	26.7
85.06557	2.2
85.10181	40.5
88.07625	3.7
89.06042	2.3
91.05451	1.4
93.07018	2.2
93.60499	1.1
95.08607	58.2
97.10171	15.7
98.21619	2.5
98.98471	50.8
99.11733	3.7
105.06998	1.4
106.08661	2.0
109.10159	31.1
110.73370	1.2
111.11710	3.1
119.08578	2.5
121.10153	2.0
123.11716	13.6
125.13268	3.7
129.81114	1.1
135.11702	1.1
136.61407	1.3
137.13254	4.9
141.71304	1.1
151.14835	3.5
165.16365	1.8
174.99196	2.0
176.98932	4.6
221.22629	2.6
233.17252	2.7
239.23692	32.2
247.70174	1.2
250.52806	1.1
257.24756	8.7
273.20416	1.3
313.27374	78.1
313.32898	2.5
314.27582	1.4
316.05774	2.2
331.08112	3.1
331.15897	1.2
331.24808	3.6
331.34009	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	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95080	1.0
54.58196	1.0
55.05505	13.2
56.96564	2.3
57.03434	7.0
57.07076	100.0
67.05132	1.3
67.05502	25.6
69.07062	15.1
71.08633	73.5
75.04479	5.2
79.05494	1.8
81.07054	31.9
83.08617	28.0
85.06531	1.1
85.10183	42.6
88.07619	2.6
89.06030	1.1
93.07032	1.6
95.08606	53.5
97.10177	12.8
98.98467	33.6
98.99122	1.3
99.11745	2.8
105.07066	1.2
105.78522	1.2
106.08675	1.4
107.08540	1.4
109.10158	28.7
111.11696	5.4
123.11712	10.7
125.13288	2.1
127.03877	1.4
129.63622	1.1
134.64900	1.5
137.01617	1.1
137.13254	5.1
139.14787	1.4
151.14859	2.5
165.16379	1.1
174.99280	1.5
176.98947	4.1
221.22636	3.4
223.12538	1.2
239.23686	28.0
252.99724	1.3
257.24802	7.2
292.91608	1.1
313.27362	76.0
316.05042	1.2
331.08057	2.6
331.15613	2.2
331.18933	1.6
331.22632	1.4
331.33990	22.7
341.13974	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95650	0.6
55.01856	1.8
55.05513	8.2
56.96545	1.2
57.03199	0.6
57.03442	8.1
57.07057	0.7
58.12959	0.6
61.02895	1.2
63.92926	0.6
65.03952	0.7
67.05503	8.2
69.03434	1.8
69.07076	4.4
69.63263	1.0
69.63675	3.0
71.04996	1.5
73.02901	1.2
79.05499	7.8
81.03396	1.0
81.07045	5.7
83.04978	1.2
83.08629	3.6
85.02925	1.0
88.44650	0.7
91.05475	8.0
93.07047	4.2
95.04977	1.2
95.08620	3.6
97.02911	1.6
97.06536	8.7
97.10164	3.2
98.98472	68.2
100.98878	1.8
105.07037	11.8
107.04985	0.7
107.08569	3.5
109.10156	2.9
115.05408	1.0
116.98666	0.7
116.99516	0.9
117.07037	8.1
119.08585	7.1
120.55502	0.7
121.10184	1.4
123.11744	0.8
125.09594	2.1
127.03962	1.3
128.06248	2.5
129.07004	4.2
130.07791	2.6
131.00119	1.1
131.08575	13.3
133.06439	1.1
133.10133	6.9
135.04395	0.7
137.05998	2.5
140.01120	1.0
143.08578	10.5
145.10126	100.0
147.03223	0.9
147.04417	2.2
147.11703	2.4
148.04695	1.3
149.01190	0.9
155.08575	2.4
157.10097	4.5
158.99509	0.8
159.08090	1.0
159.11716	13.8
161.05992	2.0
161.09685	0.9
164.06706	0.8
169.10147	3.6
171.11700	15.4
173.13351	3.2
174.99203	2.9
175.07585	1.9
176.98930	7.8
178.07545	0.8
182.10912	1.1
183.11720	7.0
185.13229	5.9
187.07541	0.8
189.09120	2.9
190.09489	2.6
197.13260	4.2
199.07513	1.0
210.13986	0.8
211.14868	1.4
217.08562	1.1
239.17949	10.4
239.20145	0.9
241.12151	1.1
250.09764	3.5
252.99759	1.7
254.99602	0.8
255.06183	1.0
257.19034	18.8
286.09836	0.9
295.20560	1.6
301.21298	0.8
313.21722	1.6
314.18152	3.5
331.08130	2.6
331.11960	6.7
331.16214	4.3
331.22729	51.0
349.17072	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2244
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
51.36921	0.7
51.50512	0.7
51.81165	0.7
51.82014	0.7
54.59077	0.7
55.05502	2.5
55.13240	0.6
56.06084	0.7
57.07070	3.7
67.05508	3.5
69.07056	2.2
70.98109	1.3
71.08624	2.3
71.56572	1.0
79.05477	2.4
81.07066	4.1
81.07476	0.7
83.08610	2.1
85.10159	1.2
88.07622	1.6
91.05486	2.3
93.07024	2.0
93.33575	0.7
95.08604	3.4
97.10168	1.0
98.98466	29.4
100.13882	0.7
105.07033	2.8
107.08607	1.3
119.08578	2.9
121.10172	0.8
123.11735	1.0
125.85320	0.8
127.03907	1.6
131.08534	1.2
133.10138	2.0
135.11702	0.7
145.10123	1.5
147.11697	1.2
149.13261	0.7
161.13226	0.9
174.99219	1.5
176.98936	2.1
202.04387	0.6
235.45117	0.7
238.73912	0.7
243.14462	1.3
248.39015	0.7
253.45642	0.9
264.92871	0.8
299.23706	1.2
301.20078	0.9
310.20523	1.7
313.27365	3.0
317.19617	2.6
331.08218	2.2
331.22430	100.0
331.25888	4.3
331.33688	6.0
349.11017	0.8
349.22287	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2243
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
57.07080	0.5
57.27427	0.5
60.90123	0.4
69.65150	2.8
73.52280	0.4
81.07039	1.4
93.07060	0.7
95.08604	0.6
98.98470	20.7
102.34811	0.4
105.07061	0.6
107.08588	0.8
109.10140	0.7
116.99555	0.7
119.08592	1.0
121.10147	0.8
127.03870	1.0
133.10144	1.0
140.78157	0.4
142.17773	0.4
147.11676	0.6
163.93279	0.5
174.99196	1.1
175.14819	0.6
176.98961	1.7
203.17957	0.7
242.76353	0.4
331.08041	1.8
331.22433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1879
Annotation	Carnosol
Peak:m/z	Relative Intensity
56.03929	0.5
56.96552	0.7
70.17362	1.5
80.61617	0.5
81.07056	0.5
98.98470	13.2
129.30916	0.5
129.94310	0.5
157.46556	0.5
174.99261	1.0
176.98901	1.0
255.03581	0.5
277.47665	0.5
306.02191	0.5
321.03098	0.5
331.18808	100.0
332.19162	0.9
349.18597	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.2
56.96550	2.2
57.03437	0.5
58.61275	0.5
67.05503	2.7
69.07046	1.5
70.18274	1.6
71.08613	0.5
79.05472	2.1
81.07063	3.6
82.59146	0.5
83.08614	1.6
84.08934	0.7
91.05460	1.7
92.05820	0.5
92.20629	0.5
93.07027	2.0
95.04949	0.7
95.08595	1.8
97.10181	1.0
98.98464	19.4
100.98871	0.6
105.07037	1.2
107.08616	1.4
108.79890	0.5
109.10137	1.2
110.10471	0.7
114.12894	0.4
117.07038	0.7
119.08581	1.0
121.10136	1.1
122.70218	0.5
125.09610	0.7
126.10008	0.6
127.03937	0.6
129.07069	0.6
131.08563	1.2
133.10143	0.9
135.11676	0.9
137.09624	0.7
145.10107	0.6
147.07999	0.6
155.10716	0.6
157.10139	0.7
166.44115	0.5
174.99222	1.1
176.98917	2.2
189.11241	1.0
199.06441	0.7
213.07968	0.9
227.96071	0.5
229.07457	1.7
247.08594	1.0
254.99062	0.6
273.18634	0.6
278.21997	1.3
331.18799	100.0
332.18927	1.1
332.22351	1.6
349.17236	1.8
350.17389	0.9
351.18478	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01875	1.5
55.05508	5.0
56.96558	3.9
57.03419	2.4
57.07071	2.1
65.03943	1.8
66.02044	1.0
67.05494	3.7
69.03437	2.2
69.07071	12.6
69.84309	5.2
70.06591	1.2
71.04955	1.3
71.97137	0.9
79.05497	6.2
79.36505	1.1
79.69291	1.1
81.03443	1.3
81.07073	7.6
83.04986	1.6
83.08617	1.5
83.80057	1.0
85.02894	3.6
86.06067	1.5
91.05487	15.0
93.07033	4.4
94.04192	1.0
95.04970	4.1
95.08607	4.1
97.02910	1.7
97.06541	19.3
98.06862	3.1
98.97604	4.0
98.98466	100.0
100.11227	1.8
100.98859	2.8
103.05463	2.8
105.07040	5.8
107.04956	3.0
107.08580	2.7
109.06499	2.5
109.10122	2.0
111.04424	1.6
115.05489	1.7
116.98661	1.3
116.99467	1.7
117.06969	1.3
119.04919	7.2
119.08582	3.3
121.06480	2.2
121.10136	2.2
122.03656	2.7
123.04456	1.5
127.03935	1.9
128.06197	1.7
129.07027	7.2
131.04951	2.7
131.08545	2.7
133.06494	1.5
133.10170	1.4
135.08069	4.6
136.05173	2.5
137.05977	35.1
141.06975	1.2
143.04926	1.1
143.08551	1.9
145.06467	1.9
145.10133	4.1
147.04362	1.6
148.05104	1.4
149.05974	6.3
151.03920	3.0
151.07545	44.2
152.06139	1.2
153.06975	1.6
157.06499	5.9
157.10033	1.5
159.08090	1.7
161.05997	8.9
161.09618	2.2
163.03922	1.4
163.07544	10.4
163.11139	1.4
165.06932	5.0
165.09100	2.5
167.08546	8.2
169.10127	1.2
169.30151	1.1
171.04411	1.3
171.08058	1.5
173.13185	1.1
174.06749	3.5
174.99194	5.4
175.07567	4.1
175.11285	1.0
176.98933	9.9
177.08966	1.4
178.07755	2.8
179.08527	1.4
181.06525	1.7
182.07150	2.3
189.05458	1.3
189.09100	19.6
193.06491	3.8
193.10136	2.3
194.07227	1.9
195.08064	10.7
197.05898	2.4
197.09566	1.3
199.04099	0.9
199.07640	1.8
201.09215	1.2
204.06563	3.8
205.06836	7.0
206.07275	1.5
207.08119	1.1
207.10207	2.6
209.06013	1.2
209.09760	2.1
210.06841	3.2
211.07581	2.3
212.08292	2.9
216.10992	1.2
217.12267	1.3
221.06030	3.2
221.09720	4.9
223.07552	4.3
224.08330	1.4
225.05544	1.4
225.09161	5.2
227.07095	1.7
227.10695	13.9
227.55896	1.1
237.09006	1.6
238.06268	2.9
239.07088	2.2
239.10870	1.3
240.07840	1.4
241.08728	2.1
241.12340	1.6
245.11646	1.0
249.09106	2.7
250.10155	1.4
252.07896	1.3
252.99858	1.8
253.08589	7.3
253.12128	7.0
255.10153	14.3
260.12881	2.0
261.13120	11.0
267.10037	2.2
269.08099	4.0
269.11523	1.7
269.19467	2.8
270.15720	1.3
271.09811	2.0
281.11758	3.2
285.11261	11.4
287.09613	2.0
287.12775	25.3
299.09149	1.1
301.14301	1.3
305.10947	1.3
309.94379	1.0
313.14297	8.1
313.17740	1.3
313.21725	1.7
314.18317	7.8
316.05856	1.8
325.60458	1.3
331.08148	3.8
331.11737	2.9
331.15509	6.4
331.21054	18.9
354.84421	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
53.43473	0.9
54.89841	1.0
55.01883	1.4
55.05509	2.2
56.60782	1.1
56.96557	3.1
57.03439	1.2
65.03938	1.8
67.05491	3.2
68.97849	1.1
69.03423	2.5
69.07060	1.6
70.06599	1.5
71.04996	1.0
73.08893	0.9
75.30481	1.0
77.03889	1.0
79.05486	3.8
81.03388	2.1
81.07064	3.7
83.04967	2.1
84.96030	1.2
85.02890	1.6
91.05477	27.1
93.07075	2.3
94.04202	3.0
95.04952	6.4
95.08604	2.5
97.02887	3.7
97.06528	3.3
98.76860	1.1
98.94748	1.1
98.97610	4.5
98.98464	53.6
100.43999	1.1
100.98883	1.3
103.05453	4.3
105.07030	4.3
107.04951	5.9
107.08613	2.1
109.06512	3.9
109.10128	1.4
110.97575	2.6
115.05459	3.1
116.35175	1.0
117.06989	2.2
119.01971	1.8
119.04945	18.1
121.06502	6.4
121.10192	1.3
122.03625	7.1
123.04385	1.8
123.08035	1.3
124.05227	1.0
128.06212	4.5
128.98621	1.9
129.07028	15.3
131.04955	5.0
131.08539	2.3
133.06494	2.0
133.10104	1.2
135.04410	1.3
135.08040	5.8
136.05206	4.1
137.05971	75.2
145.06456	3.6
146.03604	1.1
147.04375	1.4
147.08099	1.9
148.05151	1.0
149.05978	11.7
150.06795	2.1
151.03909	3.3
151.07538	100.0
152.06219	2.5
153.07007	2.4
154.07826	1.5
157.06491	14.0
158.99765	1.3
161.05980	18.5
161.09602	4.5
163.03874	1.4
163.06284	2.2
163.07533	18.4
165.06982	11.2
165.09102	6.2
166.07724	1.7
167.07065	4.2
167.08566	14.3
169.06419	1.8
169.12253	1.1
171.08046	1.2
174.06744	7.2
174.99181	2.3
175.07542	5.0
176.98953	5.9
177.09102	4.3
178.07758	6.2
179.08487	2.1
181.06483	5.4
181.10123	1.7
182.07300	4.0
183.08133	1.8
185.05965	1.3
187.07529	1.7
189.09113	32.6
189.10757	2.4
193.06503	9.7
193.10138	6.0
194.07292	3.3
195.08060	22.6
196.08768	2.8
197.06000	4.2
197.09503	1.3
203.08627	2.6
206.07346	1.6
207.10075	6.5
209.05823	3.2
209.09634	2.0
210.06746	8.5
211.07587	4.0
212.08350	4.3
218.39641	1.0
219.08138	1.8
220.08873	2.1
221.06076	8.7
221.09598	10.8
222.10255	1.0
223.07532	11.6
224.08328	5.0
225.05515	2.6
225.09091	10.9
227.07056	3.0
227.10654	25.3
227.12901	1.2
234.06790	1.6
235.07771	1.2
237.05467	2.0
237.09068	3.5
238.06276	5.6
238.09895	2.5
239.06905	2.5
239.10664	1.6
240.07835	2.9
241.08430	1.9
241.12305	2.3
249.09155	5.2
252.07681	2.5
253.08611	15.4
253.12256	13.6
255.06342	1.9
255.07341	1.9
255.10147	27.5
267.10132	5.6
269.08090	4.9
269.11655	2.7
270.08884	2.8
271.09756	1.8
272.10406	3.3
281.11700	6.1
283.66074	1.2
284.10486	2.1
285.11221	23.9
287.12762	47.8
299.12921	1.3
301.14279	2.9
307.14954	2.1
310.08939	5.2
310.58939	2.0
313.08313	1.6
313.14307	19.0
313.17709	1.0
314.18344	1.6
316.09018	3.6
331.08286	2.1
331.11636	4.6
331.15311	14.0
331.20987	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	331.154
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
55.05496	1.5
56.96563	3.1
65.03938	2.3
69.03430	2.3
70.06595	1.8
71.04964	1.5
79.05495	4.5
79.52270	1.5
81.03391	7.2
81.07052	4.5
83.04967	3.7
85.02905	2.8
86.50846	1.8
91.05490	29.6
93.07030	1.6
94.04198	4.2
95.04988	7.9
95.08590	2.9
97.02888	9.9
97.06535	4.1
98.21492	3.7
98.98470	56.1
103.05450	4.0
105.07048	6.5
107.04951	4.8
107.08597	2.0
109.02901	8.1
109.06522	6.9
113.89883	1.5
115.05443	3.4
117.03407	1.7
117.06967	2.2
119.04958	20.1
119.08578	2.9
121.06507	5.4
122.03655	9.2
123.08083	2.2
124.05223	1.5
127.03909	4.1
128.06233	3.1
129.06998	15.2
131.04941	6.8
133.06433	2.3
133.10071	1.5
135.08051	7.0
136.05228	3.6
137.05981	83.0
145.06505	4.7
147.04407	2.3
147.07961	1.5
149.05997	13.0
151.03954	3.5
151.07542	100.0
152.06215	4.4
153.05489	2.8
153.06940	2.7
157.06540	12.4
161.05980	14.1
161.09613	3.2
163.03972	2.4
163.07544	22.6
165.06976	11.1
165.09132	4.6
166.07758	4.9
167.07219	2.6
167.08572	18.5
169.06450	2.4
174.06754	7.1
174.99280	2.6
175.07521	5.4
175.14786	1.9
176.98938	4.1
177.07034	2.0
177.09084	1.9
178.07748	5.6
179.08630	2.2
179.67863	1.6
181.06482	4.7
182.07265	4.2
185.09583	1.7
188.30850	1.6
189.09122	38.4
191.08504	1.7
192.09396	2.4
193.06538	9.1
193.08611	1.8
193.10143	9.4
194.07310	3.4
195.08035	25.3
197.06041	5.4
197.09727	2.4
203.08638	2.2
207.08176	2.0
207.10126	4.9
209.05986	2.8
209.09602	3.8
210.06735	9.5
211.07536	3.7
212.08305	5.1
213.09193	2.2
219.08051	1.5
221.06029	10.3
221.09587	11.8
223.07491	12.5
224.08353	4.3
225.05583	2.1
225.09084	12.7
227.07188	3.6
227.10686	30.7
234.06665	1.8
237.08998	2.6
238.06314	6.0
238.09756	2.3
239.06993	2.9
240.07805	4.3
241.08777	2.0
241.12163	1.6
243.11261	4.8
249.09097	6.8
251.17850	1.7
252.07948	2.8
253.08578	15.5
253.12207	14.8
255.06387	2.4
255.07304	2.2
255.10196	34.4
263.10818	1.6
267.10306	6.3
269.08151	4.0
269.11646	2.1
271.10599	2.4
272.10626	3.6
281.11710	8.0
284.10593	2.1
285.11249	21.1
287.12793	64.2
299.12845	2.3
301.14423	2.1
303.13461	2.0
313.14532	16.8
331.15540	8.3
331.20984	3.3
350.96060	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3365
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
55.05511	0.3
56.96572	0.2
57.07078	6.0
58.06580	0.6
62.06076	0.4
67.05489	0.3
69.07053	0.3
69.48423	0.6
69.48849	0.5
70.06592	10.8
71.08633	2.6
73.62333	0.1
74.06073	0.4
79.05490	0.2
81.07037	0.4
83.08620	0.2
85.10186	0.9
86.06065	0.3
88.07632	14.7
91.05462	0.1
95.08552	0.2
98.97884	0.1
98.98474	1.8
102.09185	4.1
106.08671	7.2
111.62942	0.1
126.00923	0.1
133.10046	0.2
154.72055	0.1
158.74518	0.2
176.98917	0.2
208.73674	0.2
286.31012	0.6
312.32596	6.3
330.33649	100.0
331.33987	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48575	1.4
53.03936	2.0
55.01871	2.1
55.05510	16.5
56.96573	2.4
57.03435	3.0
57.07078	6.3
58.48388	1.8
63.42444	1.2
65.03932	1.8
67.05505	33.7
69.03428	2.5
69.06722	2.0
69.07066	23.8
70.44550	1.4
70.44899	4.2
71.04975	4.7
71.08637	10.2
79.05492	18.0
81.03413	5.4
81.07060	26.4
83.04983	4.7
83.08601	6.9
85.06529	2.3
85.10180	8.2
88.07620	1.8
88.60838	1.7
91.05480	17.3
93.06481	2.0
93.07041	25.2
95.04975	4.4
95.08611	40.1
97.06526	8.2
97.10179	6.5
98.98466	100.0
99.08096	10.1
105.07041	10.5
107.04949	1.9
107.08595	13.3
109.06510	1.9
109.10155	9.8
111.08051	2.5
111.11748	2.7
113.09636	17.2
117.06989	1.7
119.03618	1.5
119.08585	9.8
121.10147	26.3
123.08067	1.8
123.11696	3.3
125.09621	3.5
128.10608	1.3
129.07050	1.8
131.08534	7.9
133.10130	7.7
135.11700	7.2
137.09615	3.0
139.11171	10.5
141.12746	1.9
144.83519	1.4
145.10124	5.1
147.11697	9.7
149.09596	5.8
149.13324	2.8
151.11154	3.7
157.10176	2.6
157.12178	1.7
161.13286	3.9
163.11166	3.7
165.12752	8.2
167.10687	5.3
169.12294	1.8
171.11682	1.6
174.99243	5.7
175.11194	2.7
175.14688	1.8
176.98950	5.8
179.14258	3.3
183.13814	2.4
189.11253	3.4
193.12227	2.2
195.13596	1.6
203.12834	3.9
208.97893	1.5
211.13322	6.2
231.92468	1.7
233.91022	1.4
241.19519	3.4
254.64949	1.3
259.20593	4.7
277.21640	22.5
295.22626	20.9
325.47318	1.3
330.17365	1.9
330.20923	2.7
330.26263	1.6
330.30066	5.0
330.33676	2.3
331.08075	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42443	2.5
53.03942	4.8
55.01861	11.2
55.05271	3.8
55.05516	61.3
56.96550	7.0
57.03423	12.1
57.07067	8.2
60.35711	3.0
61.56695	2.6
65.03931	5.0
67.05508	70.5
69.03416	10.5
69.07072	38.6
71.04976	7.8
71.08631	18.5
71.26530	5.2
79.05499	61.6
81.03416	6.1
81.07061	100.0
82.59997	3.3
83.04984	26.4
83.08624	32.4
85.06523	9.0
91.05486	37.8
93.06477	5.2
93.07046	73.7
93.69434	2.6
95.04954	12.8
95.08606	48.0
97.06519	12.3
97.10170	23.6
97.89957	2.6
98.98478	33.0
99.08102	19.4
100.11246	3.4
105.06345	4.1
105.07025	27.6
107.05011	3.2
107.08600	31.1
109.06490	6.6
109.10149	28.8
111.08084	7.7
117.07019	9.1
119.08582	22.9
121.10159	18.5
123.08110	3.0
123.11707	8.7
125.09635	18.3
129.06953	3.8
131.08557	9.6
131.91505	3.0
133.10129	29.3
135.08051	5.5
135.11653	15.7
137.09589	6.1
139.11177	36.2
145.10101	5.5
147.11668	13.6
149.09627	4.7
149.13263	25.1
151.11182	15.6
155.10735	3.4
155.55275	2.7
159.11702	11.7
161.13223	9.0
163.11212	7.4
165.12756	3.2
173.11742	4.4
173.13210	4.0
175.11180	4.9
175.14879	3.7
177.12764	10.2
179.14342	6.4
189.11198	18.7
193.12254	10.7
195.13811	45.6
199.06464	4.0
207.13753	4.6
211.13199	4.6
212.16444	4.7
231.21126	4.7
241.11304	4.2
255.09178	4.4
259.20605	7.9
267.09036	3.1
269.10712	5.8
277.21631	63.7
295.22748	33.5
331.18811	31.1
333.17233	5.0
347.15616	4.0
351.18289	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	330.2062
Annotation	CHEBI:70097
Peak:m/z	Relative Intensity
52.46939	0.7
55.01865	2.2
55.05507	1.5
55.12309	0.7
57.03428	1.2
58.06600	5.0
62.85231	0.8
67.05489	2.5
69.03420	1.6
69.07071	9.8
70.81742	1.8
70.82101	1.2
72.08150	1.2
79.05499	9.5
81.07058	2.3
86.30660	0.9
91.05480	1.5
95.08552	0.9
97.06535	92.4
98.98462	12.3
101.00880	1.0
105.07059	1.2
115.05446	1.6
117.06970	1.1
119.08553	0.9
123.04440	3.5
128.06284	0.9
129.07008	3.2
131.04936	3.5
131.08582	0.9
133.06516	1.5
134.06030	1.9
137.05969	2.1
141.06953	1.9
143.01884	1.0
143.04932	2.1
143.08548	2.2
144.05759	1.4
145.06509	3.3
147.04410	3.5
148.05170	4.7
149.05978	9.5
157.06487	4.5
157.10179	0.9
158.07248	1.3
159.04420	1.0
159.08023	1.1
161.05989	10.2
162.06764	3.3
163.06284	2.5
163.07509	1.5
164.07069	6.2
169.06502	1.5
169.10190	2.3
171.04424	1.6
171.08066	3.8
171.11702	2.0
173.05972	2.9
174.99297	0.9
175.07558	11.5
179.08556	1.0
185.05952	1.1
185.09703	1.7
187.07536	1.8
187.11172	1.6
188.08199	1.4
189.09090	2.1
197.09689	2.4
198.10396	1.7
199.07542	1.0
199.11176	4.1
201.09134	2.7
201.12801	1.3
213.09119	2.4
213.12747	11.8
215.10716	5.7
216.11368	1.1
217.12265	13.2
227.10698	6.1
229.12268	0.8
241.12262	1.2
241.15915	1.5
244.11035	1.3
245.11810	4.5
257.11755	1.0
257.15201	1.3
258.12390	1.9
260.12836	33.4
269.15375	10.0
271.13303	4.8
313.17978	58.6
330.20642	100.0
331.20877	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01874	3.2
55.05509	6.7
57.03439	2.6
57.07075	1.5
58.99588	2.4
59.04993	1.1
60.04524	1.7
66.94193	0.9
67.05506	5.3
69.03427	4.3
69.07066	9.9
70.06591	3.4
71.04974	0.9
71.08633	2.0
74.00677	1.1
76.02222	5.4
77.00632	1.0
79.05495	12.5
81.03401	1.1
81.07056	90.1
83.04990	7.3
83.08622	3.0
84.08141	3.6
85.06532	1.3
86.06057	1.2
86.09690	1.1
86.99040	1.4
88.02215	2.5
91.05495	8.5
93.07037	10.2
95.04979	2.6
95.08603	10.2
97.01078	1.0
97.06519	3.3
98.06041	3.2
98.09672	1.1
98.98463	8.9
99.08093	38.1
101.00888	1.6
101.54794	1.0
105.00092	2.9
105.07035	15.5
107.08588	24.0
109.06522	3.8
109.10171	6.4
111.08082	2.5
114.09163	1.2
115.05458	2.4
117.07014	5.6
118.07773	1.2
119.08595	14.1
121.06506	3.8
121.10149	12.7
122.02723	29.6
123.08072	2.5
125.04246	0.9
128.06183	1.6
129.07007	4.0
131.05016	1.1
131.08569	20.2
131.67636	1.0
132.01205	1.4
133.10132	13.7
134.15309	1.0
135.08067	12.2
135.11687	6.0
137.05988	1.3
143.01979	1.1
143.05017	4.8
143.08569	3.8
144.09340	1.7
145.06451	2.0
145.10135	9.5
146.02773	1.5
147.04416	1.5
147.11682	9.9
149.05986	6.6
149.09607	2.8
149.13220	2.3
153.12744	0.9
157.06517	2.6
158.10945	3.4
161.03001	1.0
161.05980	3.1
161.13248	6.0
162.05487	2.1
163.06290	15.2
163.07555	1.8
163.14850	7.4
164.07143	5.0
167.05243	5.1
167.06947	1.1
171.11732	1.5
173.13264	35.7
174.14098	1.7
175.07570	3.1
175.14789	1.1
177.09024	1.2
190.38676	1.1
191.10667	1.6
191.14319	27.5
204.13823	1.2
205.10985	1.0
209.15379	3.6
214.08630	3.5
217.12425	1.8
218.11784	1.5
223.11514	67.5
229.01962	1.4
232.13135	1.4
241.12572	20.5
257.13907	2.1
260.12698	1.7
266.15790	2.1
284.16980	2.0
286.18024	15.9
312.16278	50.9
330.17215	19.0
330.20639	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01872	9.0
55.05503	2.0
57.03437	20.9
58.06593	2.1
58.62877	1.1
59.04986	1.2
61.02930	15.7
64.86581	0.9
67.05493	3.1
69.03429	26.7
69.07066	8.7
69.47778	6.5
71.01337	3.1
71.04982	1.7
72.08134	1.5
73.02916	100.0
75.38256	1.0
75.94289	1.0
79.05491	8.0
81.03413	3.5
81.07070	4.9
83.04952	1.5
85.02903	76.4
87.04478	5.0
91.03941	2.9
91.05480	2.3
93.07048	1.9
93.96717	1.1
95.04946	1.1
95.08645	2.2
96.04488	1.3
97.02892	46.0
97.03529	2.2
97.06529	62.0
98.06854	1.6
98.97520	1.8
98.98466	41.2
99.04429	3.4
103.03960	3.4
105.07015	2.1
109.02866	6.1
109.10120	1.3
111.04456	1.4
115.03930	30.1
115.05447	1.1
115.16828	1.0
117.07056	1.0
119.08662	1.1
123.04474	1.9
127.03914	28.0
128.06206	2.1
129.07027	1.9
131.04903	3.2
131.08594	2.2
132.06570	1.7
133.04965	52.5
134.06000	1.1
137.05954	3.3
143.04895	1.3
143.08553	2.9
145.04959	45.0
145.06203	1.5
146.07213	1.3
147.04390	2.1
148.05130	2.1
149.05966	6.5
150.07571	5.1
157.06458	2.4
159.08040	1.9
161.06001	6.9
162.06641	2.3
163.06017	22.8
164.07036	7.3
169.06503	2.3
169.10091	1.5
171.04344	1.2
171.07997	2.5
173.05968	2.6
174.99290	2.3
175.07504	6.1
176.98969	2.9
179.30251	1.0
180.08745	2.3
185.06000	1.3
187.07468	1.9
187.11276	1.9
189.09120	3.5
197.09615	1.9
198.09755	5.2
199.11069	1.6
201.09169	1.2
204.06561	7.7
208.05095	1.2
213.09167	2.2
213.12691	6.6
215.10611	2.0
217.07062	1.6
217.12251	8.8
223.06061	6.8
227.10637	4.7
241.07066	9.3
245.11761	3.4
257.11389	1.1
258.12521	1.9
259.08145	16.0
260.12820	23.1
269.15363	8.3
271.13361	2.4
277.09125	4.2
295.10205	10.4
312.12750	1.4
313.17966	35.7
315.08569	2.0
330.14059	2.8
330.17444	3.8
330.20673	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.9
56.96564	1.6
65.03945	1.2
67.05504	1.2
69.03439	1.6
70.00312	4.1
70.06593	14.8
71.04982	0.8
72.08160	1.5
74.06058	2.4
79.05443	1.1
81.03400	0.9
83.79916	1.0
84.08134	1.2
85.02912	6.4
86.09717	3.5
87.04432	1.1
91.05488	20.8
95.04952	4.8
95.08595	2.0
96.77496	0.9
97.02857	2.5
98.97585	3.7
98.98467	28.8
105.07027	3.8
107.04946	1.8
109.06505	1.4
110.97581	1.5
111.65282	0.9
115.05458	6.8
116.07113	5.0
116.98598	1.4
119.04950	17.2
121.06509	1.9
122.03642	1.4
123.04446	5.4
129.10184	0.9
131.04953	1.0
133.06494	7.2
136.05200	2.9
137.05980	38.0
142.76181	0.9
143.04918	10.9
147.04405	15.0
149.05981	2.4
151.03894	5.0
151.07545	71.4
153.05542	1.0
158.99628	1.6
161.05968	10.2
163.03903	1.1
164.07053	3.8
165.05562	1.5
165.06995	2.7
171.04463	1.1
171.11330	1.2
174.99243	1.5
175.03870	1.3
176.04729	7.2
176.99020	1.4
177.05467	8.5
179.08578	1.6
182.07152	1.3
183.08063	3.6
187.14395	1.9
189.05470	45.4
193.04950	1.0
193.06549	1.9
199.10823	1.0
206.08109	12.3
207.08011	2.1
210.06776	3.4
211.07545	6.8
215.13969	1.3
221.05931	3.0
225.09106	8.9
228.07745	2.4
229.15485	3.4
235.07600	1.4
238.06284	2.9
239.07033	4.0
243.10118	5.7
253.08568	8.7
256.07373	3.0
271.09631	25.7
285.11111	2.0
313.10699	100.0
314.10797	1.1
330.13208	30.3
330.19818	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	329.2321
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
50.29720	0.4
53.03941	0.8
53.75524	0.4
55.01861	1.1
55.05513	5.5
55.58163	0.4
56.96566	0.5
57.03437	1.2
57.07082	0.6
65.03968	0.5
67.05506	9.0
69.03447	1.9
69.07067	3.9
69.37782	2.5
70.06575	0.5
71.04978	0.7
71.08634	4.6
79.05495	7.1
81.03409	1.0
81.07056	9.1
83.04986	1.4
83.08633	3.9
85.02907	0.6
85.06546	0.9
85.10191	0.7
87.04475	0.9
91.05485	8.3
93.07045	7.1
95.04971	2.0
95.08603	6.4
97.06538	12.2
97.10159	0.9
98.98469	100.0
99.04418	0.4
99.08095	4.7
100.98891	1.1
101.06010	0.9
101.09700	0.5
102.99920	0.4
103.05446	0.6
105.07047	4.9
107.04960	2.0
107.08584	3.6
109.06538	1.5
109.10177	2.2
111.04440	0.7
111.08089	1.7
113.09624	0.9
115.05471	0.6
115.07545	0.6
116.99507	1.9
117.07034	1.7
119.04913	0.4
119.08595	3.4
121.06516	1.0
121.10142	5.3
123.04441	1.0
123.08105	0.8
123.11703	1.0
124.07600	1.3
125.09651	0.5
127.11231	0.5
128.06242	1.0
129.07016	1.0
130.28372	0.4
131.08575	3.4
133.06502	0.9
133.10149	4.3
135.04390	2.5
135.08087	0.4
135.11674	2.4
137.05989	2.9
137.09544	0.5
137.13271	1.1
140.01093	0.5
141.06987	0.6
142.07814	0.5
143.08586	1.0
144.05719	0.5
145.06502	1.3
145.10208	1.9
147.04419	1.6
147.08063	1.0
147.11713	2.8
149.05997	1.1
149.09657	1.2
149.13283	1.5
151.11214	0.4
153.07039	0.4
155.08577	1.0
157.06480	0.5
157.10139	1.4
159.08107	0.9
159.11713	1.0
161.06017	2.5
161.09639	1.2
161.13225	0.5
163.07559	1.1
163.11185	0.5
163.14925	0.4
164.07202	0.5
165.05457	0.9
165.12743	0.8
167.10670	4.0
169.06567	0.5
171.08109	1.0
171.11700	0.5
172.04005	1.1
173.06007	2.5
173.09587	0.5
174.99234	9.5
175.07591	0.9
175.11238	1.4
176.98920	5.1
177.09180	0.4
177.12793	0.7
183.13802	1.1
185.09645	0.5
187.07552	3.7
187.11227	0.9
189.09111	0.9
197.09653	0.5
199.07576	0.9
201.09204	1.2
204.06479	2.1
211.11409	0.5
213.09114	1.2
213.12778	0.7
215.10706	1.8
217.12341	0.6
229.12350	0.5
229.19603	2.0
233.11775	0.7
233.15436	0.9
247.20604	2.1
251.00043	0.9
252.99696	2.0
257.15378	0.5
260.12955	0.7
265.21622	9.8
267.13708	0.5
269.15143	0.5
283.22699	1.4
285.11404	0.9
285.14743	0.8
293.15491	0.9
293.21454	0.7
311.13126	0.6
311.16507	1.8
311.22263	3.8
313.18039	1.4
329.13757	0.9
329.17511	6.6
329.21115	2.4
330.20724	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2085
Annotation	HU-331
Peak:m/z	Relative Intensity
51.10283	0.7
69.40250	2.5
69.40689	2.9
70.47544	0.7
98.98470	5.1
101.84305	0.8
177.29938	0.7
210.66869	0.7
288.23700	0.6
329.20877	100.0
331.87521	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01867	1.6
55.05509	2.1
56.96559	1.7
57.03431	0.9
58.99588	7.5
61.01158	2.7
67.05500	2.5
69.03419	1.1
69.07071	2.8
69.32635	3.0
71.04993	0.5
74.22815	0.4
74.47099	0.4
79.05482	3.0
81.03435	0.6
81.07053	3.2
83.04969	0.8
83.08619	0.8
85.02904	1.1
85.06550	0.6
86.99059	9.1
89.00616	4.8
91.05479	3.0
93.07033	3.2
95.04971	1.2
95.08595	2.0
96.08138	0.8
97.02915	0.7
97.06535	5.0
98.97619	6.4
98.98468	100.0
99.04486	0.5
99.08052	0.4
100.11253	0.5
100.98881	0.7
105.00097	12.8
105.07019	4.0
107.05020	0.5
107.08583	2.5
107.93217	0.4
109.06513	0.9
109.10166	1.5
116.98619	1.7
116.99512	1.7
117.07006	0.9
119.04940	3.8
119.08584	10.0
121.06570	0.5
121.10156	2.9
123.08110	0.8
123.11697	0.4
129.07007	0.7
131.08582	1.0
133.06511	1.6
133.10132	6.8
135.08031	0.4
135.11705	0.7
137.05986	0.9
140.01080	0.6
141.05511	0.4
142.07736	0.4
143.05005	0.4
143.08559	0.6
145.06493	0.8
145.10164	2.7
147.04395	0.9
147.07022	0.4
147.08044	1.8
147.11696	5.3
148.08859	0.6
149.06003	0.6
149.09653	1.5
151.07550	0.6
156.09421	0.7
157.06523	0.5
158.99677	2.9
159.08063	1.1
159.11681	0.7
161.06007	0.6
161.09641	0.7
161.13258	1.5
163.11183	12.0
167.08676	0.4
171.08083	0.6
171.11665	2.0
173.06021	0.7
173.09576	0.4
174.10640	0.4
174.99239	10.5
175.07510	0.6
176.98950	5.1
177.00722	1.8
177.12776	5.9
184.08865	0.4
185.09683	0.7
187.07510	1.2
189.09216	0.8
189.12741	10.6
191.14326	0.6
195.08093	0.6
197.06035	0.9
199.07695	0.6
201.09137	0.9
204.06537	0.7
207.13805	1.1
213.09099	0.9
213.12810	0.5
215.10751	0.8
239.11145	1.5
239.61362	0.5
241.12276	0.8
248.11708	6.3
248.61935	1.0
251.00069	0.7
252.99690	2.2
256.22479	0.5
257.12149	1.1
259.20715	0.7
267.13785	0.6
268.63028	0.5
269.12381	1.4
285.11279	1.1
285.14636	0.6
287.11847	0.5
311.13101	18.6
311.16260	1.2
329.14090	2.9
329.17896	3.9
330.20743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.2
65.25953	0.5
71.55206	0.7
81.89909	0.4
85.01402	0.5
98.02288	0.5
98.97012	0.7
98.97592	7.3
98.98457	1.0
101.00898	0.6
104.51351	0.5
106.60712	0.4
110.97544	1.0
116.98621	2.6
119.01911	1.5
120.95383	1.4
121.48003	0.6
133.03447	1.4
138.96408	9.3
145.03468	0.6
156.97478	39.0
164.97990	1.4
168.97490	1.5
174.98560	13.9
175.04480	0.7
182.99046	17.0
186.98598	0.6
190.95326	0.5
194.99020	5.7
201.00084	7.8
213.00092	100.0
221.01758	0.6
231.01157	9.6
234.99718	0.8
240.98279	0.5
245.01746	0.6
246.01993	0.7
249.02122	0.7
252.96350	0.9
255.01128	0.6
263.00308	0.7
263.02832	2.7
264.03006	7.0
269.02716	37.2
286.99728	2.1
287.03787	4.9
305.00720	1.3
305.97412	0.6
311.91010	0.6
329.04913	1.7
347.01871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72441	1.5
55.01870	6.9
55.05511	12.5
56.96552	2.1
57.03422	2.5
57.07074	3.4
58.96381	1.6
59.81862	1.2
67.05181	2.3
67.05503	31.9
69.03434	1.8
69.07072	10.4
71.04974	4.1
71.08637	1.7
71.56110	2.3
72.15157	1.5
74.06080	3.1
79.05487	13.3
81.03418	2.8
81.07053	24.8
83.04967	5.3
83.08626	7.2
85.06527	4.3
91.05474	15.9
93.07038	15.1
95.04958	8.1
95.08604	16.0
97.06524	3.0
97.10143	2.9
98.98466	100.0
99.04461	2.1
99.08076	3.5
105.07038	16.3
107.04939	4.4
107.08596	19.8
109.06514	5.9
109.10151	25.3
111.08067	3.7
115.82185	1.5
117.07027	3.5
119.08580	6.5
121.06504	1.6
121.10152	6.6
123.08060	3.5
123.11684	5.6
125.09608	2.6
131.08577	4.5
133.10130	25.6
135.08076	2.3
135.11656	3.3
137.09630	7.4
140.01031	1.7
143.08582	1.9
145.10118	5.6
147.11667	3.4
149.09610	2.0
149.13304	2.0
151.11179	20.9
152.22571	1.4
159.11765	2.4
161.13219	2.6
163.11182	4.1
165.09140	3.2
169.12218	6.6
172.94380	2.8
173.13094	2.0
174.99225	8.9
175.11153	2.0
176.98894	2.7
177.12785	2.0
180.60745	1.5
190.95369	1.9
193.12328	2.8
195.13824	2.8
197.11765	2.4
197.13457	1.5
203.60646	1.6
209.11874	1.9
215.12772	1.7
232.96434	3.1
247.20537	3.2
250.97649	2.1
257.18961	5.5
275.20068	24.4
287.13062	2.4
288.78198	1.8
293.21085	22.9
305.14108	4.9
329.17422	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86205	1.5
53.03926	2.0
55.01870	2.6
55.05511	10.0
56.96561	3.3
57.03439	2.2
67.05512	19.7
68.41615	1.9
69.07077	11.2
69.52717	11.3
71.04990	3.4
76.82993	1.8
79.05492	16.3
80.50185	1.6
81.07064	43.5
83.04981	2.4
83.08612	7.0
85.06536	2.6
91.05469	14.6
93.07043	15.0
95.04947	5.6
95.08594	13.2
97.06518	6.6
97.10159	3.0
98.98472	100.0
99.08109	2.3
105.07035	15.3
107.04965	9.5
107.05614	1.8
107.08613	9.8
109.06525	12.0
109.10150	6.5
111.08080	4.1
117.07029	5.4
119.08583	13.6
121.06481	2.5
121.10172	8.4
123.08044	4.3
125.09613	2.4
131.08583	9.6
133.10141	11.0
135.08063	3.1
135.11697	4.8
137.05919	1.6
137.09619	4.4
145.10139	7.1
147.11714	10.3
149.09634	5.8
149.13245	5.2
151.11217	2.7
159.11702	6.3
161.09601	2.0
163.11162	5.0
163.14819	2.4
166.65964	1.7
171.11711	1.9
172.94362	7.1
173.13130	2.2
174.99226	11.1
175.11189	1.9
183.11728	3.4
190.95383	5.7
193.12309	2.9
195.13820	1.8
197.13232	2.5
199.06294	1.7
214.95528	2.4
229.19496	3.0
232.96504	6.9
239.17914	2.7
250.97614	2.8
250.99988	2.3
257.18942	4.2
265.18115	2.3
275.20090	53.0
293.21164	29.1
311.18494	3.8
328.32175	4.8
329.67200	1.8
330.26294	2.0
347.14691	1.8
349.16724	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.8
55.05511	37.0
57.03426	9.2
61.84989	4.2
67.05508	68.5
69.03440	8.5
69.07066	26.8
69.58997	32.0
71.04974	7.5
79.05493	57.8
81.07056	88.1
83.04967	6.2
83.08624	17.3
85.06522	7.2
91.05477	55.4
93.07049	100.0
95.04977	18.6
95.08608	34.8
97.06510	14.8
97.10175	24.7
98.21559	5.2
98.98460	56.1
105.04519	5.0
105.07022	46.7
107.08591	61.5
109.06499	8.4
109.10162	17.9
117.07018	12.6
119.08540	33.2
121.10152	36.9
123.08128	6.0
125.09639	19.6
131.08571	16.9
133.10164	32.1
135.08073	8.8
135.11685	16.1
137.09581	8.4
140.96890	4.8
145.10133	7.2
147.11684	21.8
149.09694	7.5
149.13254	12.5
157.10086	6.4
159.11684	11.5
163.11163	6.4
174.99153	7.0
177.12711	6.4
181.12239	13.6
189.11208	15.0
195.13786	12.9
199.14713	5.2
200.18196	5.6
235.16936	15.5
251.16438	6.7
257.18851	4.9
275.20020	48.6
293.21155	8.3
299.18137	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	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01861	6.3
55.05510	63.3
57.03414	2.2
63.77353	1.7
67.05495	19.4
69.03425	9.0
69.07064	16.4
70.15688	1.9
70.81369	2.9
70.81710	4.2
79.05489	35.3
81.07056	17.1
83.04961	5.7
83.08147	3.7
83.08617	49.2
91.05492	16.7
93.07030	12.2
95.04973	2.1
95.08591	8.0
97.10170	95.8
98.21181	2.6
98.98447	7.4
105.07040	13.1
107.08594	99.6
109.06486	2.2
109.10151	2.4
111.08081	5.1
117.07002	3.6
119.04906	2.4
119.08581	6.4
120.05213	2.0
121.10140	3.8
125.09631	72.0
131.08542	3.8
133.10117	11.2
135.08022	9.8
135.11716	3.2
137.05981	12.0
138.06349	9.8
143.10643	2.7
145.10066	9.0
147.11664	7.0
149.09625	5.3
151.07533	13.7
152.07870	11.3
153.09076	4.6
157.10222	1.8
159.11694	4.5
163.11076	2.0
171.10144	26.4
181.12242	2.8
189.11211	100.0
204.10994	5.8
239.18044	4.3
257.19058	12.3
275.20053	89.8
293.21085	7.5
328.16217	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	328.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42673	0.3
53.03959	0.7
54.03452	1.5
55.01859	1.3
55.05515	2.2
56.05007	0.6
56.96543	1.1
67.05511	2.1
68.05015	1.4
69.03434	0.7
69.05805	0.6
69.07070	2.1
70.06596	20.8
71.04984	2.3
72.08139	1.1
79.05505	3.2
80.05009	0.6
81.03434	0.8
81.05796	1.2
81.07066	2.7
82.06586	1.4
83.04975	0.6
83.08628	0.7
84.08154	3.1
85.02876	0.4
86.06071	0.6
86.09711	0.8
91.05484	1.6
93.07034	1.7
94.06557	1.9
94.68433	0.4
95.04984	0.7
95.08621	1.2
96.08136	100.0
97.06535	6.3
98.06034	0.4
98.09699	2.2
98.98472	42.6
103.05482	0.8
104.05874	0.4
104.10783	0.7
105.07050	1.5
107.08605	1.3
109.06542	0.8
109.10210	0.8
110.12786	0.4
111.04459	0.5
112.07672	0.6
113.96446	0.5
116.63415	0.4
116.98641	0.6
116.99469	0.7
119.08595	0.8
121.06504	0.6
121.10156	1.0
122.02796	0.6
123.08045	0.5
124.07619	1.0
125.09657	1.1
126.09179	1.4
128.07138	0.6
129.06935	0.4
131.04930	0.7
132.05269	0.6
133.06558	1.2
133.10146	0.4
134.06920	0.5
135.08119	0.6
135.11746	0.4
137.05995	3.3
138.06323	1.9
140.73575	0.4
142.08679	1.2
145.10146	0.6
147.08130	0.6
147.11743	0.9
163.07616	0.8
163.11261	0.4
164.07980	1.3
170.08228	0.5
172.94395	1.4
174.99254	4.6
175.99649	0.8
176.99046	1.3
189.12840	1.4
190.95403	0.8
211.11334	0.5
213.09204	1.1
215.10716	1.9
232.96674	1.4
236.16594	1.3
250.97717	0.7
252.99843	0.6
254.17682	0.8
254.21594	0.4
266.17715	1.3
267.14169	0.5
268.06314	0.6
268.19104	8.6
268.21924	0.5
282.20615	1.8
296.13828	0.5
296.18826	1.6
298.24960	0.4
310.20300	2.8
311.16418	2.0
328.21448	38.0
337.18872	0.4
353.19089	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	8.5
55.05517	4.1
56.96548	1.5
57.03427	0.9
57.07066	0.7
61.02935	0.8
61.03272	0.6
62.06074	1.8
67.05487	2.9
69.03397	0.8
69.07054	2.0
69.18275	7.5
70.06573	1.5
70.48107	0.7
71.04977	1.4
71.08628	13.3
72.08155	10.6
73.02906	0.7
74.66315	0.6
79.05485	3.2
81.07065	5.7
82.07401	1.2
83.04954	0.9
83.08613	1.1
83.25760	0.6
85.02920	0.7
86.06068	33.5
87.04471	13.5
91.05465	2.7
93.07027	2.7
94.07375	0.8
95.04967	0.9
95.08584	2.2
96.08132	1.7
97.06532	4.3
98.06897	0.9
98.09696	3.6
98.98467	76.3
99.04430	1.6
99.08095	4.6
100.07620	1.0
105.07019	2.0
107.08605	2.0
108.08106	1.6
109.06511	8.6
111.08063	2.8
115.03931	44.3
116.10729	17.4
116.98643	1.0
118.08614	1.0
119.08576	1.5
123.08079	0.9
124.07575	0.8
130.93300	1.2
134.09625	1.9
137.05981	6.0
140.01083	1.3
142.08696	1.0
142.12256	2.6
143.10670	13.3
147.11673	0.8
152.10739	1.9
157.10114	0.9
159.06519	1.8
159.07906	0.7
160.13373	1.0
170.11749	4.5
172.94328	3.9
173.11710	1.0
174.99187	6.7
175.99557	1.3
176.98914	2.9
180.10234	1.6
190.95306	4.1
198.11256	33.9
208.96277	0.8
212.12814	2.9
214.18050	4.5
214.95425	1.4
215.10600	0.9
230.13873	100.0
232.96347	5.1
250.97533	2.7
251.00014	1.1
252.99796	0.8
262.93820	1.0
264.19534	4.5
282.20612	3.5
292.19879	1.5
296.15454	1.0
296.18527	3.2
310.20209	2.4
328.21597	14.1
330.76651	0.7
330.82086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
56.96564	1.5
57.03445	1.7
59.05004	29.5
60.04519	0.8
61.02914	0.6
63.60910	0.5
69.03430	2.1
70.06598	3.3
70.22613	2.1
71.39508	0.6
72.08150	2.4
73.06557	100.0
79.05512	0.9
81.03413	1.1
84.08187	0.9
85.02911	8.0
86.09718	3.1
87.04458	0.6
91.05466	1.2
93.07041	0.7
97.02893	2.9
98.98470	38.8
105.07053	0.7
109.02938	0.9
116.07095	3.5
116.98647	0.9
117.07043	2.5
117.09138	8.1
127.03954	1.8
130.92155	0.6
131.10677	9.6
137.05959	1.4
145.05011	2.0
147.08058	1.3
148.07597	2.6
149.11739	60.6
163.07599	0.7
166.08664	1.5
172.94388	0.9
174.99251	3.8
176.99023	2.0
185.16521	1.2
190.08658	4.6
207.10081	0.7
213.16100	0.8
237.06566	0.6
252.99751	0.9
308.68811	0.7
310.12997	1.0
328.15527	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	328.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01872	5.7
55.05509	1.8
58.99584	2.7
60.02938	0.6
65.03925	1.7
66.04327	0.6
67.05487	1.7
69.03448	0.8
69.07065	3.6
70.02955	4.0
70.70609	1.5
70.70947	1.4
71.05000	1.6
76.02216	2.9
79.05497	4.4
81.07056	5.7
83.04989	1.9
85.01134	2.7
86.00624	1.4
86.88293	0.7
86.99051	1.0
87.02660	1.0
88.02225	6.3
88.03996	48.6
91.05476	8.7
92.94633	0.7
93.03392	2.9
93.07047	9.7
95.04979	4.3
95.08548	0.8
97.06532	2.4
98.98466	14.5
99.08059	1.0
100.02219	1.3
102.03770	3.0
103.05493	1.3
105.00064	0.8
105.06380	1.3
105.07030	13.1
107.04974	1.7
107.08597	5.9
109.06526	3.2
109.10155	1.9
111.08044	0.8
115.13357	0.7
117.07029	2.5
118.54652	0.9
119.04947	24.9
119.08584	70.7
121.06527	2.1
121.10138	10.1
122.02737	7.4
123.08047	1.6
129.06979	1.9
130.07809	1.0
131.01599	1.9
131.08562	2.1
132.01225	1.0
133.06525	7.1
133.10144	17.0
134.02718	1.2
135.08040	2.3
135.11673	1.9
137.05968	2.8
137.09605	2.1
138.06313	2.6
143.08589	2.6
145.10126	15.5
146.02698	2.0
147.08043	5.7
147.11697	15.2
148.04282	3.7
148.08841	5.5
149.04198	3.1
149.09634	4.1
150.09196	0.9
151.02147	3.4
151.07520	0.9
156.09364	2.8
159.07973	0.7
159.11769	1.7
160.04260	1.1
161.13281	2.2
162.09131	0.8
163.07512	2.0
163.11191	100.0
164.07845	1.6
165.03737	1.1
167.05272	13.7
171.11700	6.4
174.10423	4.8
174.99236	1.1
177.12753	10.8
179.05231	2.0
187.11232	1.0
189.12753	66.1
190.13315	0.8
191.14246	1.0
205.10455	1.1
205.12248	0.9
207.13818	6.3
208.09778	1.0
221.09988	3.2
222.11278	1.1
223.11517	36.6
239.11014	20.9
255.09229	1.6
268.51620	0.8
276.99014	0.7
310.14709	70.1
328.15781	11.2
328.19101	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	327.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01862	0.5
55.05514	5.1
56.96565	1.0
57.03435	0.5
57.07075	3.0
67.05503	8.2
69.07071	11.4
69.41647	1.5
69.42071	2.2
71.04973	0.8
71.08624	1.6
79.05501	6.0
81.03425	1.0
81.07061	20.3
83.04969	0.5
83.08620	4.7
85.06547	1.6
85.10149	0.5
85.32861	0.5
85.42496	0.5
91.03970	0.5
91.05489	5.6
93.07052	8.5
95.04968	2.0
95.08612	17.7
97.06528	4.5
97.10174	4.5
98.98471	100.0
99.08079	0.7
105.07046	5.0
107.04975	0.6
107.08598	7.5
109.06512	0.8
109.10160	10.4
111.08076	0.9
111.11722	2.2
113.09657	0.5
116.99545	1.2
119.04954	1.5
119.08589	3.2
121.10143	6.0
123.08056	0.8
123.11716	6.2
125.09677	1.4
125.13287	0.8
131.08508	0.7
131.32790	0.5
133.10133	2.9
135.11667	3.3
137.05984	7.2
137.09631	1.3
137.13281	2.2
139.11156	1.3
140.01070	0.7
143.08539	1.0
145.10205	0.7
147.11696	2.2
149.13263	5.2
151.07567	8.1
151.08673	0.8
151.11195	3.5
151.14778	1.3
155.10640	1.7
161.13248	1.3
163.14832	2.5
165.09169	1.2
165.12761	1.0
165.16353	0.5
171.08093	1.2
172.94287	0.8
174.99236	15.7
175.00673	1.0
175.14862	1.0
177.16437	1.3
188.08459	0.7
191.17958	1.3
203.10669	3.2
203.17918	0.8
217.19559	1.0
232.96486	0.7
251.00070	3.0
261.25784	0.8
273.25830	2.2
275.19952	0.6
279.26852	1.4
291.19617	0.8
291.26846	3.3
309.16885	0.7
309.27798	2.8
327.15222	0.7
327.17978	2.0
330.44012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01881	0.9
55.05511	5.5
55.18378	0.5
56.96564	0.7
57.03432	0.9
57.07069	1.9
60.21194	0.4
63.91990	0.5
67.05176	0.6
67.05511	7.1
69.03437	0.9
69.07069	7.7
69.80634	1.1
69.81051	1.4
71.05005	0.7
71.08627	0.8
79.05505	4.2
81.03420	0.7
81.07059	13.7
81.80231	0.4
83.08627	3.3
85.02895	0.9
85.06548	1.6
91.05491	2.6
93.07050	7.3
95.04971	1.3
95.08613	12.6
96.08971	0.5
97.06534	5.7
97.10180	2.7
98.20857	1.0
98.98470	100.0
105.07034	4.1
107.04952	1.0
107.08588	6.3
109.06521	1.2
109.10162	10.2
111.08089	0.9
111.11735	1.6
116.98661	0.6
116.99511	1.2
119.08606	4.2
121.10148	4.8
123.08079	0.9
123.11705	3.8
125.13298	0.7
131.08578	1.3
133.10100	2.2
135.11714	2.7
137.05005	0.5
137.06000	1.7
137.09650	1.9
137.13287	1.3
140.01041	0.6
141.09140	0.5
143.08586	0.7
145.10110	1.0
147.08018	0.6
147.11696	1.2
149.09613	0.8
149.13251	3.2
151.07565	0.8
151.14841	0.8
154.12309	0.9
155.10739	0.8
159.11761	0.5
161.13272	0.9
163.14818	1.8
165.12726	0.7
172.13361	1.6
173.13663	1.7
174.99231	16.0
175.14880	0.7
189.16350	0.7
203.10800	0.6
203.17935	0.5
230.63890	0.6
232.96553	0.5
242.11806	0.7
250.99954	3.0
254.13655	0.6
261.25699	0.7
273.18439	0.7
273.25876	2.0
275.14111	0.9
279.26871	1.0
283.13312	0.5
291.19702	2.4
291.22592	0.4
291.26859	2.0
305.16983	1.1
309.27850	1.9
327.08447	0.6
327.12213	0.7
327.15671	0.4
327.18201	1.5
327.23547	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70673	0.5
55.01863	0.8
55.05511	4.8
56.96568	0.6
57.03437	0.7
57.07071	2.6
67.05510	8.5
69.07069	10.0
69.31725	3.0
69.32143	1.3
69.40256	0.4
71.04980	1.1
71.08638	0.9
77.01600	0.8
79.05486	4.3
81.03414	0.7
81.07060	19.8
83.04996	0.8
83.08624	4.8
85.06538	1.6
85.10178	0.7
91.05511	3.9
93.07045	8.1
95.04976	2.7
95.08611	17.0
97.06538	3.6
97.10193	4.0
98.98468	100.0
99.08119	1.2
105.07036	4.3
107.08590	7.8
109.10163	11.5
111.08081	0.7
111.11728	1.9
116.99545	1.3
117.07068	0.6
119.04929	0.9
119.08595	3.4
120.25594	0.5
121.10147	5.3
123.04436	0.7
123.08127	0.8
123.11694	4.4
125.09623	1.2
125.13258	0.8
131.08568	0.8
133.10139	2.6
135.11685	4.4
137.05980	5.4
137.09653	1.5
137.13264	2.1
139.11186	0.5
140.01118	0.8
141.09152	0.6
145.10156	0.7
147.11679	3.0
149.13257	5.3
151.07590	4.2
151.11172	3.6
151.14850	1.1
155.10695	1.8
157.10272	0.6
161.13338	1.4
163.14876	2.0
165.09036	0.7
165.12746	1.2
165.16451	0.5
172.94359	0.8
173.11754	1.6
174.99243	13.6
175.14871	0.7
177.16460	0.9
183.08089	0.5
188.08507	0.6
195.71973	0.5
201.03671	0.5
203.10707	2.2
217.19586	0.6
232.96475	0.6
235.13315	0.5
250.97754	0.8
250.99966	3.2
273.25604	2.4
279.26962	2.2
284.75748	0.6
291.19632	0.5
291.26871	2.5
309.16675	0.6
309.27872	2.9
327.15805	1.9
327.18448	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01866	2.2
55.05304	0.6
55.05515	7.0
57.03450	0.9
57.07090	0.8
67.05509	12.5
67.61479	0.6
69.07072	6.2
71.04987	1.4
71.08641	1.7
71.56331	1.0
77.01585	0.6
79.05492	7.4
81.03439	1.3
81.07060	15.6
83.04984	2.0
83.08601	3.3
85.02909	1.1
85.06548	1.6
91.04957	0.9
91.05478	6.9
93.07041	11.5
95.04978	2.7
95.08607	7.9
97.06555	2.9
97.10198	1.4
98.98468	100.0
99.08086	2.4
105.07027	5.0
107.04967	2.0
107.08613	5.1
109.06505	1.7
109.10158	4.4
111.08073	1.3
116.99490	1.3
117.07027	2.1
119.08584	4.8
121.10142	3.8
123.08063	0.9
123.11758	1.4
125.09660	2.0
129.07031	1.3
131.08578	3.5
133.10139	5.2
135.08058	3.0
135.11728	3.1
136.86586	0.6
137.05923	0.7
137.09630	1.0
139.11163	1.2
140.01080	0.7
145.10124	1.7
147.11700	2.2
149.09659	1.4
149.13264	5.6
151.11186	2.0
157.09962	0.9
159.11708	3.5
161.09644	1.5
161.13261	1.6
165.12750	1.3
171.11736	1.4
171.46794	0.6
173.11746	0.9
173.13242	1.2
174.99231	15.4
175.14813	1.5
177.12776	1.7
195.13814	8.7
209.13075	0.6
209.15340	0.7
213.14893	0.8
245.18959	1.0
249.22206	1.2
251.00063	2.2
273.18506	3.8
277.21628	8.9
278.21890	0.9
295.22797	1.3
309.15985	1.4
309.24246	2.6
327.07874	1.8
327.23477	0.9
327.27213	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44448	0.6
53.03946	1.0
55.01860	2.0
55.05513	7.0
57.03431	1.3
57.07069	1.6
67.05508	12.4
67.05875	0.8
69.03424	0.7
69.07068	5.7
69.39318	1.6
69.39741	2.5
71.04992	1.6
71.08623	1.8
77.01587	0.6
79.05493	9.8
80.05840	0.5
81.03407	1.8
81.07056	15.7
83.04969	1.9
83.08614	4.4
85.02911	1.3
85.06535	1.2
91.05486	7.9
93.07040	12.8
95.04965	3.2
95.08616	8.0
97.06550	2.6
97.10176	1.7
98.98468	100.0
99.08096	1.3
105.07043	5.9
107.04951	2.8
107.08606	6.5
107.43075	0.5
109.06525	0.8
109.10159	5.0
111.08086	1.8
113.09632	0.6
116.91592	0.5
116.99519	1.6
117.07029	2.3
117.94504	0.4
119.08584	6.3
121.06516	0.6
121.10161	3.9
123.08085	1.0
123.11742	1.1
125.09632	1.2
129.07037	0.8
131.08542	3.2
132.42081	0.5
133.06505	0.6
133.10136	5.6
135.08035	4.3
135.11656	3.3
137.05963	0.9
137.09616	1.5
139.11154	1.1
140.01085	1.1
143.08585	1.3
145.10107	2.6
147.08112	0.7
147.11684	1.9
149.09677	0.8
149.13284	7.6
150.97984	0.5
151.07553	0.8
151.11192	1.5
157.10126	1.1
159.11668	4.1
161.09634	0.7
161.13268	1.6
163.11192	0.6
163.14824	0.7
165.12785	1.6
171.11723	0.6
173.11823	0.8
173.13248	0.7
174.99222	14.5
175.11211	0.8
177.12794	2.9
195.13800	8.1
203.12747	0.6
213.14886	1.2
217.19193	0.5
227.16321	0.7
227.18333	1.0
245.19046	1.4
250.99928	2.8
259.20609	1.0
273.18512	6.3
277.21606	7.5
295.20279	0.9
295.23083	1.2
309.16190	1.9
309.24219	3.0
327.07932	1.3
327.23236	0.8
327.27026	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71251	2.6
53.03942	8.0
55.01867	4.2
55.05517	15.6
57.03425	3.4
57.07064	6.6
58.20837	2.9
59.04997	3.8
65.03901	2.8
67.05505	39.9
69.07070	21.1
70.95105	5.6
71.05013	3.3
71.08602	3.6
71.78327	2.8
79.05497	35.3
81.03419	6.5
81.07062	37.2
83.04972	5.5
83.08607	6.4
91.05480	54.1
93.07050	85.3
95.04975	85.3
95.08616	64.1
97.06532	22.6
97.10149	5.0
98.98464	100.0
105.07030	72.4
107.08595	41.0
109.06515	10.6
109.10160	22.9
111.08125	3.2
113.21913	2.9
115.05459	5.8
117.07052	19.1
119.08583	70.2
121.06548	18.8
121.10156	39.4
123.08070	12.7
123.11732	14.4
128.06223	5.4
129.06987	12.1
130.07773	4.6
131.08566	32.4
131.46100	2.6
131.63924	3.0
133.10132	56.2
135.08073	10.5
135.11696	11.5
137.09598	8.8
142.07774	12.6
143.08557	26.7
143.91946	2.9
144.09343	6.5
145.10112	45.0
147.11699	16.2
149.09604	6.4
149.13289	3.4
151.11197	3.1
154.07777	3.6
155.08540	7.7
156.09352	10.9
157.10130	35.6
158.10944	3.8
159.08080	6.4
159.11708	51.4
161.09593	14.4
161.13242	7.5
163.11253	3.7
166.89857	2.8
167.08629	3.9
169.10081	17.8
170.10974	4.2
171.11661	19.5
173.09634	5.9
173.13235	13.7
174.99231	17.1
175.11302	4.4
175.14822	23.8
179.08589	5.8
180.09290	3.2
181.10132	7.0
182.10867	5.7
183.11685	11.4
185.13264	11.9
187.11221	8.1
187.14755	13.4
189.16364	5.8
190.38864	3.5
194.10907	4.5
195.11754	7.1
196.12477	5.5
197.13246	12.8
199.14809	13.2
201.16328	7.8
208.12433	3.8
209.13298	8.4
211.14813	7.4
213.16425	7.3
215.14256	4.4
217.15846	8.4
220.12576	3.4
223.14925	7.3
225.16451	4.9
227.14073	3.6
229.15836	5.2
229.46611	2.9
235.14859	5.6
237.16473	3.5
250.99808	3.8
253.15894	6.6
265.19513	3.9
277.21640	9.8
291.21002	5.5
295.22717	17.7
309.22107	6.7
319.87787	2.8
327.23047	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	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74226	3.1
51.95222	3.3
53.03942	9.3
55.05509	22.5
57.03435	7.0
57.07076	11.4
60.54013	3.1
65.03950	4.6
65.24982	3.2
67.05512	44.4
69.03436	5.1
69.07053	22.1
69.91861	16.4
71.05008	6.4
79.05499	33.2
81.03426	5.2
81.07053	45.9
83.04974	5.6
83.08633	7.5
85.06557	7.4
91.05485	56.4
93.07043	94.9
95.04974	100.0
95.08611	74.7
97.06519	29.8
98.98470	94.7
98.99125	4.2
103.05479	5.9
105.04562	4.0
105.07032	83.0
105.07692	7.3
107.08596	58.6
109.06518	12.6
109.10140	27.9
115.05482	4.8
117.07028	23.9
119.08582	82.4
121.06503	22.4
121.10147	47.9
123.08074	15.7
123.11707	8.5
128.06233	6.1
129.07021	14.3
130.07755	9.2
131.08565	41.4
133.10141	54.1
135.08043	13.3
135.11722	16.4
137.09610	5.7
141.06993	5.5
142.07794	18.1
142.08781	3.4
143.08556	30.2
144.09383	5.1
145.10136	50.5
145.14955	3.8
147.11734	17.6
149.09656	7.2
152.06139	5.8
153.06952	8.4
155.08566	10.8
156.09358	11.2
157.10139	54.3
158.10892	5.8
159.11688	62.7
161.09589	19.2
161.13278	7.6
165.06967	3.8
169.10081	19.0
170.10951	5.3
171.08078	5.4
171.11705	19.7
173.09573	5.3
173.13316	19.1
174.99226	11.5
175.14821	25.5
179.08569	4.1
181.10182	6.3
183.11639	10.9
185.13303	10.2
187.11198	12.1
187.14832	17.6
188.08301	4.6
189.16405	6.5
191.08600	3.6
195.11667	7.1
197.13245	10.8
199.14798	16.3
201.12648	4.2
201.16373	5.2
203.10701	6.2
207.11870	4.2
209.13303	11.9
211.14832	9.1
213.16446	4.5
217.15834	5.5
225.16370	8.3
233.03616	7.0
235.14864	8.6
236.49872	3.8
239.17874	4.7
240.53690	3.6
250.99963	4.3
251.04848	4.2
253.15836	6.3
291.21057	5.4
309.22153	14.3
327.07819	19.3
327.23157	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	327.2166
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
53.51882	3.3
55.01878	5.3
55.05506	12.5
57.03439	22.4
60.07123	2.3
62.11263	2.6
65.03947	4.0
67.05502	34.2
69.03432	9.8
69.07074	100.0
69.83884	2.9
69.91750	5.0
69.92167	9.3
71.04983	3.4
72.06423	2.6
72.91619	2.4
79.05494	36.4
81.03429	8.0
81.07063	76.0
83.04969	4.9
83.08619	5.6
85.06542	9.3
87.04472	6.4
91.05482	29.8
93.07053	41.3
95.04985	9.6
95.08608	59.2
95.09171	4.2
97.06544	18.8
97.10147	2.7
98.20883	4.3
98.98471	97.0
99.08096	20.5
101.05984	3.9
105.07042	26.6
107.08593	31.6
109.06516	6.3
109.10165	14.5
111.08065	6.5
113.06031	3.4
113.09631	3.0
115.03914	3.4
115.07596	6.6
117.07027	10.0
119.08584	21.4
121.10155	16.4
123.08125	4.6
125.09639	18.8
131.08611	21.3
133.10130	18.0
135.11710	6.9
137.05959	4.9
139.11156	23.2
141.09142	8.2
145.10080	17.8
147.11693	16.8
149.13303	11.2
151.11218	5.3
157.10129	5.4
159.10176	8.7
159.11705	10.2
161.13246	7.4
163.11197	4.1
167.14441	2.9
171.11656	7.1
173.13235	18.0
174.12225	3.0
174.99231	13.8
185.13173	3.9
189.16460	5.4
211.13196	3.8
227.17960	9.3
237.14861	23.2
245.19098	15.6
263.20090	30.5
281.21115	11.4
291.19531	37.6
309.20615	75.5
327.18051	3.5
327.21805	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84004	0.7
51.02360	0.8
53.03934	2.2
55.01863	3.5
55.05505	6.3
57.03419	2.1
57.07078	1.2
59.55176	0.8
65.03942	1.2
67.05504	20.1
69.03425	4.4
69.07070	38.2
69.39323	1.6
69.39715	5.5
70.06577	0.8
71.04996	4.0
71.08624	0.9
79.05065	1.4
79.05495	20.1
79.75317	0.8
81.03423	3.2
81.07060	45.5
83.04983	3.0
83.08624	3.5
84.04526	1.9
85.02898	2.3
85.06554	11.5
87.04458	3.8
91.05482	18.8
93.06474	1.4
93.07042	21.0
94.04160	1.2
95.04963	5.7
95.08611	31.5
97.02917	0.8
97.06532	9.3
97.10194	1.3
98.21477	1.0
98.98469	100.0
99.04459	1.0
99.08097	11.2
101.06007	2.1
103.05477	7.5
105.06318	1.1
105.07029	22.1
107.04941	2.6
107.08600	15.6
109.06546	4.3
109.10155	5.9
111.08105	3.8
115.03904	1.3
115.05433	1.1
115.07589	4.6
116.99512	1.5
117.07011	5.0
119.08592	11.6
121.06511	3.4
121.10151	10.9
122.03643	2.2
123.08074	3.5
123.11745	2.2
123.87003	0.9
125.09635	3.6
127.07533	1.2
129.07048	1.5
129.99924	0.8
130.05026	0.9
130.44916	0.8
131.04936	8.7
131.08594	7.9
133.06499	16.7
133.10132	10.2
135.08049	4.7
135.11671	6.8
137.05981	44.1
137.09653	2.2
139.11168	3.4
141.09109	2.9
143.08572	2.5
145.06490	4.2
145.10136	11.0
147.08034	2.0
147.11703	9.8
149.09589	1.3
149.13263	3.1
151.07550	4.5
151.11203	1.3
155.10614	0.8
157.10133	2.5
159.10191	4.3
159.11707	4.6
161.13268	3.1
163.07555	22.7
163.11209	1.7
165.12810	1.8
167.14359	0.9
171.11728	5.2
173.11760	1.1
173.13232	1.1
174.88188	0.8
174.99232	16.7
175.07544	1.5
175.11189	0.9
175.14841	0.9
177.09171	1.0
181.12241	3.5
185.13254	3.8
187.07578	0.8
187.14890	1.9
189.09067	1.7
193.12233	1.8
195.13823	1.0
201.16277	1.3
203.10786	1.2
203.17908	1.0
207.07950	1.1
221.05872	0.8
227.17943	5.2
239.16370	1.5
245.19003	10.5
251.00073	3.3
251.16360	7.2
263.10632	1.3
263.17435	1.6
263.20074	18.0
281.21118	3.6
291.19547	25.9
295.13416	4.6
309.17117	1.4
309.20615	29.5
327.10403	1.9
327.15469	5.8
327.21664	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	327.2165
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
53.03945	1.5
55.01866	4.0
55.05514	25.6
57.03418	2.3
59.04979	2.1
67.05505	14.6
69.03428	3.5
69.07076	6.6
70.32848	4.6
71.04987	2.2
79.05501	15.1
81.03408	7.2
81.07062	35.9
81.72107	1.2
83.04982	6.8
83.08624	14.7
85.02890	2.3
85.06535	1.8
91.05479	5.5
93.07047	14.6
95.04954	6.3
95.08617	12.5
97.02905	1.5
97.06550	8.6
97.10168	24.9
98.98470	100.0
99.08099	7.0
105.07026	7.8
107.04961	2.8
107.08585	10.5
109.06515	3.2
109.10160	4.6
111.04448	6.2
111.08089	3.7
116.99483	1.5
117.07027	3.2
118.14886	1.8
119.08588	6.8
121.06473	2.5
121.10143	5.9
123.08076	16.0
125.09628	22.0
129.07022	2.4
131.08597	4.7
133.10115	3.6
135.08058	4.3
135.11742	3.2
137.09637	3.2
139.11214	1.6
145.10121	3.1
147.08041	3.2
147.11649	2.5
149.09650	2.0
151.31137	1.5
153.09106	3.1
153.12756	1.5
157.10068	3.0
161.09695	1.6
163.11174	9.0
165.09128	4.9
171.10194	3.2
174.99252	14.8
175.11258	1.8
181.12302	3.0
189.11226	22.7
191.10677	2.7
193.12306	3.8
201.97346	1.5
211.13312	3.3
223.13367	2.5
227.12822	2.2
250.99925	2.7
273.18491	11.0
291.19547	47.7
309.20538	18.1
327.16830	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01866	4.0
55.05514	25.6
57.03418	2.3
59.04979	2.1
67.05505	14.6
69.03428	3.5
69.07076	6.6
70.32848	4.6
71.04987	2.2
79.05501	15.1
81.03408	7.2
81.07062	35.9
81.72107	1.2
83.04982	6.8
83.08624	14.7
85.02890	2.3
85.06535	1.8
91.05479	5.5
93.07047	14.6
95.04954	6.3
95.08617	12.5
97.02905	1.5
97.06550	8.6
97.10168	24.9
98.98470	100.0
99.08099	7.0
105.07026	7.8
107.04961	2.8
107.08585	10.5
109.06515	3.2
109.10160	4.6
111.04448	6.2
111.08089	3.7
116.99483	1.5
117.07027	3.2
118.14886	1.8
119.08588	6.8
121.06473	2.5
121.10143	5.9
123.08076	16.0
125.09628	22.0
129.07022	2.4
131.08597	4.7
133.10115	3.6
135.08058	4.3
135.11742	3.2
137.09637	3.2
139.11214	1.6
145.10121	3.1
147.08041	3.2
147.11649	2.5
149.09650	2.0
151.31137	1.5
153.09106	3.1
153.12756	1.5
157.10068	3.0
161.09695	1.6
163.11174	9.0
165.09128	4.9
171.10194	3.2
174.99252	14.8
175.11258	1.8
181.12302	3.0
189.11226	22.7
191.10677	2.7
193.12306	3.8
201.97346	1.5
211.13312	3.3
223.13367	2.5
227.12822	2.2
250.99925	2.7
273.18491	11.0
291.19547	47.7
309.20538	18.1
327.16830	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
55.05512	3.1
57.07071	0.6
67.05508	3.5
69.07082	2.2
69.19438	0.6
69.19751	4.9
71.08644	0.5
79.05481	1.3
81.03417	0.5
81.07059	3.3
83.04981	0.7
83.08617	1.3
84.31173	0.5
91.05475	1.6
93.07056	2.8
95.04987	1.2
95.08609	2.9
96.57401	0.5
97.06557	0.6
97.10174	2.0
98.20686	1.0
98.98468	79.2
105.07032	1.2
107.08583	2.4
109.10169	1.5
111.08103	0.6
116.99521	1.6
119.08578	1.3
121.10147	0.9
123.08093	1.0
125.09659	1.0
131.08559	1.0
133.10083	0.9
135.11682	1.1
137.05969	1.3
137.09648	0.5
139.11142	0.9
140.01111	1.0
141.12752	0.5
143.08588	0.6
145.10164	1.0
145.55815	0.4
147.11685	1.4
151.07535	0.8
151.11147	0.6
157.10164	0.7
159.11603	0.6
161.13396	0.6
165.12799	0.7
173.11757	0.5
173.13208	0.5
174.99232	11.3
175.14957	0.6
203.12685	0.5
244.73314	0.5
251.00063	2.5
259.20670	0.5
277.21664	4.1
277.56082	0.5
295.22787	2.3
309.24365	1.4
327.19308	100.0
328.19571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01967	0.3
53.03941	0.7
55.01858	1.0
55.05515	5.1
56.96563	0.4
57.03415	0.7
57.07084	1.8
65.03929	0.4
67.05505	6.8
69.03433	0.5
69.07073	4.4
71.04984	1.0
71.08638	1.3
72.84482	0.3
77.01593	0.4
79.05495	8.7
81.03429	1.1
81.07060	5.3
83.04976	0.9
83.08613	2.3
85.10193	0.6
91.05483	7.3
91.57234	0.3
93.07042	9.6
95.04953	2.5
95.08613	5.4
97.06527	1.3
97.10174	1.5
98.98467	100.0
99.08067	0.5
105.07034	5.7
107.04957	7.0
107.08591	5.4
109.06535	1.1
109.10150	2.6
111.08118	0.4
113.09661	0.4
116.99522	1.7
117.07022	2.6
119.08591	5.3
121.06495	0.9
121.10139	2.0
123.08048	0.5
123.11754	0.4
125.09516	0.4
128.06203	0.5
129.07021	1.5
130.07793	0.3
131.08575	3.6
132.91336	0.3
133.06514	1.3
133.10106	3.3
135.08052	9.1
135.11708	1.1
137.05963	1.2
137.09613	0.9
139.11139	0.4
140.01050	1.6
143.08598	1.4
145.10104	3.7
147.08058	1.2
147.11674	1.5
149.09618	2.0
149.13254	0.6
151.07576	0.7
151.11182	0.6
152.06189	0.3
153.06964	0.4
155.08588	0.4
156.09276	0.4
157.10133	1.5
159.11687	1.9
161.09619	3.1
161.13268	0.9
163.11264	0.5
163.14899	0.3
165.12720	0.4
167.08487	0.3
169.10077	0.5
171.11656	1.1
173.13297	0.7
174.99231	16.3
175.11234	0.8
175.14839	0.4
177.09106	0.4
181.96785	0.3
185.13242	0.3
189.12843	0.5
190.95598	0.3
195.13837	0.4
199.52437	0.3
216.01884	0.4
227.17967	1.1
231.17587	0.6
232.96526	0.5
233.03458	0.5
237.16385	1.0
245.18994	3.2
250.99992	3.0
255.17430	1.2
273.18488	16.1
277.21542	1.3
281.16583	1.0
291.15140	0.4
295.22662	0.7
309.16129	6.2
310.31082	0.4
327.07794	1.1
327.18146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01967	0.3
53.03941	0.7
55.01858	1.0
55.05515	5.1
56.96563	0.4
57.03415	0.7
57.07084	1.8
65.03929	0.4
67.05505	6.8
69.03433	0.5
69.07073	4.4
71.04984	1.0
71.08638	1.3
72.84482	0.3
77.01593	0.4
79.05495	8.7
81.03429	1.1
81.07060	5.3
83.04976	0.9
83.08613	2.3
85.10193	0.6
91.05483	7.3
91.57234	0.3
93.07042	9.6
95.04953	2.5
95.08613	5.4
97.06527	1.3
97.10174	1.5
98.98467	100.0
99.08067	0.5
105.07034	5.7
107.04957	7.0
107.08591	5.4
109.06535	1.1
109.10150	2.6
111.08118	0.4
113.09661	0.4
116.99522	1.7
117.07022	2.6
119.08591	5.3
121.06495	0.9
121.10139	2.0
123.08048	0.5
123.11754	0.4
125.09516	0.4
128.06203	0.5
129.07021	1.5
130.07793	0.3
131.08575	3.6
132.91336	0.3
133.06514	1.3
133.10106	3.3
135.08052	9.1
135.11708	1.1
137.05963	1.2
137.09613	0.9
139.11139	0.4
140.01050	1.6
143.08598	1.4
145.10104	3.7
147.08058	1.2
147.11674	1.5
149.09618	2.0
149.13254	0.6
151.07576	0.7
151.11182	0.6
152.06189	0.3
153.06964	0.4
155.08588	0.4
156.09276	0.4
157.10133	1.5
159.11687	1.9
161.09619	3.1
161.13268	0.9
163.11264	0.5
163.14899	0.3
165.12720	0.4
167.08487	0.3
169.10077	0.5
171.11656	1.1
173.13297	0.7
174.99231	16.3
175.11234	0.8
175.14839	0.4
177.09106	0.4
181.96785	0.3
185.13242	0.3
189.12843	0.5
190.95598	0.3
195.13837	0.4
199.52437	0.3
216.01884	0.4
227.17967	1.1
231.17587	0.6
232.96526	0.5
233.03458	0.5
237.16385	1.0
245.18994	3.2
250.99992	3.0
255.17430	1.2
273.18488	16.1
277.21542	1.3
281.16583	1.0
291.15140	0.4
295.22662	0.7
309.16129	6.2
310.31082	0.4
327.07794	1.1
327.18146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1592
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.02387	0.4
53.03931	0.4
55.01871	1.1
55.05510	1.1
56.96574	0.5
57.03438	0.6
59.93192	0.4
67.05502	1.5
67.80290	0.3
68.50403	0.3
69.03421	0.7
69.07072	0.7
69.64338	2.2
77.01597	0.4
79.05497	3.1
81.03421	0.9
81.07064	3.3
83.04981	0.9
83.15031	0.4
83.20124	0.4
86.09682	0.4
91.05486	4.3
93.07042	1.4
94.04205	2.1
95.04983	1.0
95.08605	1.4
97.06535	1.6
98.20759	0.5
98.98469	77.8
99.08090	0.6
103.05470	14.5
105.07033	9.0
107.04951	2.6
107.08605	1.2
109.06509	2.4
109.10190	0.7
115.05463	1.2
116.99517	1.1
117.07039	1.6
119.04922	1.8
119.08580	1.3
120.05696	0.8
121.06502	5.3
122.03655	5.4
123.00788	0.4
123.04411	0.9
123.08069	1.6
125.09659	2.7
128.06223	0.7
129.06996	1.1
131.04930	18.1
133.06497	31.3
135.08054	9.5
135.11714	0.4
136.05228	0.5
137.05981	100.0
138.06348	0.8
138.77216	0.4
140.01100	0.8
143.04921	1.3
143.08572	1.0
144.05650	0.5
145.06490	7.5
145.10089	0.9
147.08044	2.2
149.06021	2.1
151.07552	12.3
155.06013	0.6
157.06503	3.1
159.08046	0.8
160.05200	0.4
162.06760	0.9
163.07549	49.0
165.09116	0.9
171.06763	0.8
171.08084	1.2
172.07170	0.6
173.05949	0.6
174.99223	11.6
175.07562	3.4
177.09094	1.7
187.07527	1.4
188.08298	0.6
189.09157	2.0
201.07585	0.7
202.07948	0.9
203.10686	2.5
207.08087	0.8
217.10196	0.8
220.08871	0.8
226.14607	0.6
235.07657	0.5
235.11230	2.0
235.13229	0.5
238.02701	0.4
245.09663	1.4
248.08307	0.6
251.00053	2.2
263.10632	3.4
267.13965	0.5
280.10840	0.4
295.13287	14.4
298.13995	1.4
299.14810	0.8
301.55945	0.4
309.08804	1.2
309.20584	0.5
325.14636	0.5
327.10501	3.4
327.15994	10.5
327.23581	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01875	7.6
55.05514	14.8
56.05849	2.0
56.96567	1.6
57.07079	3.2
65.03941	1.6
67.05508	34.9
69.03416	2.1
69.07072	9.7
69.77744	9.0
71.04978	6.3
73.08625	1.9
78.74889	1.6
79.05498	19.1
79.40183	1.6
81.03413	2.4
81.07063	48.1
83.04971	12.3
83.08607	5.0
84.08977	2.1
85.06543	3.0
91.05482	22.4
93.07043	20.0
94.07373	1.6
95.04949	5.1
95.08614	10.7
97.06518	3.5
97.10157	3.5
98.10542	1.7
98.21487	3.4
98.98470	100.0
99.04470	2.5
103.05525	1.9
105.06337	1.1
105.07031	30.7
107.08591	31.9
109.06524	5.1
109.10159	53.9
111.08061	3.7
113.05985	2.6
116.99457	1.7
117.07032	2.8
119.08592	8.3
121.06532	3.2
121.10180	6.1
123.08069	3.4
123.11714	6.1
125.09630	2.5
127.07549	4.2
128.06244	1.8
129.06956	2.2
131.08568	5.7
133.06522	2.5
133.10135	59.3
134.10480	2.2
135.08037	2.4
135.11722	2.4
137.06050	1.9
137.09676	2.1
143.08499	2.9
145.10101	3.5
147.08051	3.1
149.09590	3.3
151.11191	42.2
151.12369	3.0
157.10161	2.4
159.11676	2.8
161.09583	3.5
163.11177	3.2
169.12286	14.2
170.10519	2.0
171.11668	2.0
174.99214	15.2
175.11148	2.2
177.12840	2.2
193.05025	2.2
215.12862	4.6
239.46825	1.7
250.99937	3.2
255.17468	3.1
263.19928	1.7
273.18472	10.8
276.20413	2.2
281.15262	2.8
291.19556	33.8
294.21503	6.3
308.16287	1.9
309.20721	3.1
325.76251	7.5
326.17697	2.4
326.21799	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	326.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	13.5
55.05509	13.1
55.34455	1.6
56.05830	2.2
57.03434	3.0
57.39625	1.4
65.03932	1.7
66.22282	1.6
67.05181	3.3
67.05511	44.9
68.05838	1.6
69.03417	5.0
69.07076	20.1
69.18985	18.1
71.04986	6.7
79.05490	23.1
81.03404	1.7
81.06589	2.4
81.07059	47.7
82.07389	1.9
83.04967	11.0
83.08618	8.1
85.02892	2.8
85.06536	5.9
91.05481	28.9
93.07041	23.3
95.04964	10.5
95.08607	13.6
97.02882	2.2
97.06529	4.0
97.10168	6.4
98.20720	4.2
98.98471	100.0
99.04435	3.2
99.08073	2.6
105.07037	40.8
107.04922	4.2
107.08606	39.1
109.06490	5.3
109.10161	57.0
113.05975	3.8
115.83506	1.6
117.07008	4.5
119.08624	8.0
120.08897	2.3
121.06501	3.8
121.10130	5.4
123.08065	2.4
123.11753	8.6
125.09621	5.8
127.07563	1.9
129.06982	2.1
131.08562	5.2
133.06485	2.6
133.10135	71.5
134.10448	2.4
135.07999	3.7
135.11671	4.0
137.09662	3.4
145.10103	6.2
147.11674	3.2
148.11961	2.0
149.09589	2.7
151.11188	51.0
155.08577	2.3
157.10059	2.6
159.08005	1.8
159.11714	2.3
161.09579	3.0
163.11136	2.5
169.12250	19.5
171.11642	2.7
174.99229	17.6
179.10612	2.8
179.68733	1.6
185.09613	2.1
189.11147	2.6
215.12798	7.2
223.13258	3.9
245.18904	3.8
250.99960	2.9
255.17406	2.2
263.19998	3.5
273.18546	16.5
276.20395	7.4
281.15314	4.8
291.19559	69.8
308.22980	3.6
326.17487	7.5
326.21164	2.0
326.34222	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	326.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
55.05502	0.1
56.96339	0.2
56.96572	2.2
57.03423	0.5
60.95864	0.1
61.02915	0.5
63.09840	0.1
65.22559	0.1
67.05497	0.2
69.03433	1.1
70.06577	0.4
70.98122	0.3
71.04990	0.2
71.55226	0.2
71.95257	0.3
73.02919	0.4
81.03408	0.5
84.04501	0.2
84.96025	0.2
85.02909	2.3
87.04475	0.2
91.03984	0.2
91.05486	0.8
93.56734	0.1
97.02900	1.0
98.97579	7.0
98.98457	2.2
101.00910	0.2
102.96902	0.2
105.16588	0.1
109.02849	0.3
109.06501	0.2
110.07146	1.0
110.97572	0.7
113.00910	0.2
116.98622	3.6
117.98954	0.2
118.06505	0.3
119.01872	0.4
119.04944	0.9
127.03907	0.6
128.98602	0.6
130.93303	0.5
134.08006	0.2
134.99677	1.1
137.05991	2.5
138.05473	0.1
138.06538	0.2
142.01825	0.2
145.05020	0.3
145.06563	0.2
145.07620	3.1
146.06068	0.3
146.07962	4.5
146.99635	0.3
147.04416	1.0
149.04744	0.7
152.05652	0.2
153.05927	0.1
154.94217	0.2
156.03381	0.3
158.99670	0.5
163.08664	2.1
164.07069	100.0
165.07433	0.4
172.94313	0.9
172.97623	0.2
174.04378	0.3
174.97664	0.4
174.99210	0.3
176.07100	0.4
177.00792	0.8
178.00934	0.2
178.13263	0.1
186.04422	0.2
190.95334	0.8
190.98729	0.2
192.98708	0.2
194.04195	0.2
201.00838	0.3
202.98570	0.2
205.10965	0.2
208.04959	0.5
214.95477	0.5
215.53897	0.2
216.98741	0.8
217.05630	0.2
219.01942	1.2
228.97945	0.2
232.96457	1.1
234.99706	0.8
235.03259	0.2
237.02892	0.3
243.02069	0.5
244.96442	0.2
245.05052	0.2
246.00662	0.2
247.01723	0.1
248.96172	0.2
249.01343	0.3
250.97496	0.2
256.96365	0.3
257.04968	0.5
258.97681	0.7
259.99930	0.3
260.96014	0.2
261.00290	0.2
261.03085	3.1
262.03284	0.3
264.12390	0.3
267.14917	0.1
274.97516	1.1
277.01126	0.3
278.00842	0.2
279.98325	0.6
281.01770	0.2
284.00146	0.3
292.98593	0.6
297.99176	0.2
302.01120	0.3
302.93790	0.8
302.97028	0.3
303.04285	0.2
308.06711	0.3
308.14877	0.2
320.98145	0.3
321.03580	0.2
326.02158	0.2
326.12308	4.4
326.14368	3.8
327.12772	0.2
330.07040	0.4
344.03067	0.3
346.04886	0.3
348.08154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
56.96558	1.0
57.03440	0.5
57.07048	0.3
61.02918	0.4
67.05494	1.0
69.03429	0.9
69.07072	0.5
69.75784	2.2
70.06593	11.9
71.04978	0.4
72.08148	1.1
79.05481	0.8
79.50275	0.4
81.03399	0.4
81.07069	0.7
83.08637	0.4
84.04503	0.5
84.08144	1.5
85.02904	2.3
85.06547	0.4
86.09708	0.6
87.04492	0.4
88.03991	1.2
91.05462	0.8
93.07052	0.3
95.08581	1.7
97.02872	1.0
98.21496	0.4
98.97607	1.3
98.98470	19.2
100.11265	0.8
107.04948	0.7
107.08603	0.9
107.32064	0.3
109.06544	0.4
116.07082	1.7
116.69937	0.4
116.98660	0.7
116.99506	0.6
118.06518	0.8
119.29498	0.3
125.07143	0.4
127.03946	0.4
127.07565	0.8
128.04965	5.4
129.09161	0.6
129.10231	1.4
133.54039	0.4
135.07996	0.4
137.05980	0.8
146.06010	100.0
158.99741	0.5
163.03914	0.6
163.07492	0.4
164.07074	21.7
169.13449	0.4
174.99248	2.4
176.06995	0.3
177.00691	0.3
185.09337	0.4
201.09140	0.4
213.12343	3.3
219.01791	0.7
223.09497	0.5
237.02887	0.5
247.17787	0.3
255.20210	0.4
269.17380	1.6
274.16577	0.4
284.13684	1.3
286.30762	0.4
294.13602	0.4
302.14630	0.7
303.13089	0.5
309.16690	0.5
325.11108	0.3
326.11792	0.7
326.15695	0.6
326.19800	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.5
62.90850	0.5
65.06187	0.4
66.46260	0.4
66.87187	0.4
69.87640	1.9
73.39523	0.5
73.91708	0.4
75.43594	0.4
79.80365	0.4
82.99870	0.7
98.97582	4.0
101.00879	3.1
116.58308	0.5
116.98634	1.9
119.01939	4.2
120.91112	0.4
136.93097	2.8
140.98871	0.6
154.94177	3.7
156.97478	0.7
158.99899	1.8
172.95256	2.0
177.00945	7.3
183.00034	0.9
201.00954	2.4
210.96812	0.6
213.00130	1.7
217.04073	1.6
219.02011	14.0
220.02141	0.7
221.01730	0.7
225.00986	2.0
228.97873	3.7
241.99118	1.8
243.02025	15.0
244.02266	0.7
246.98866	1.6
260.00095	2.7
261.03070	100.0
262.03250	2.4
263.03336	0.6
266.26538	0.5
269.02582	0.6
274.98376	0.6
278.01141	1.3
284.00131	7.8
284.04596	3.1
285.00388	2.3
302.01135	7.9
303.01328	1.8
303.04306	2.3
305.03290	0.6
305.53531	0.5
326.01178	1.0
326.12009	1.6
341.03967	0.9
344.02347	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	325.2739
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03940	4.5
55.01879	6.7
55.05269	2.8
55.05516	34.6
56.96559	11.5
57.03437	8.3
57.07068	13.1
58.00299	2.6
61.02917	4.1
61.39373	2.7
67.05509	48.6
69.03436	6.8
69.07069	62.0
70.07399	2.9
70.58967	5.4
71.04996	8.3
71.08654	6.2
74.68531	2.5
79.05496	26.3
81.03405	14.0
81.07061	100.0
83.04986	10.8
83.08628	23.7
84.08106	3.4
85.02912	7.2
85.06535	10.6
85.10213	3.6
89.72302	2.7
91.05472	18.9
93.07050	50.8
95.04977	71.2
95.08610	77.4
97.02911	4.3
97.06547	17.6
97.10181	19.7
98.97595	24.7
99.08096	6.2
105.07045	25.6
107.04955	6.3
107.08595	36.9
109.06533	9.9
109.10165	45.5
111.08083	7.3
111.11729	3.8
112.99156	5.2
116.98629	3.7
117.06996	5.8
119.08593	24.6
121.06511	5.3
121.10135	29.4
123.08041	4.5
123.11728	22.0
125.09642	8.3
130.07857	2.8
131.00247	5.4
131.08568	13.5
133.10121	18.9
135.08058	20.1
135.11690	10.7
137.05998	9.8
137.09612	4.1
137.13252	11.9
139.11194	4.6
143.08488	3.2
145.10120	9.9
147.11693	13.4
149.09598	5.9
149.13297	15.6
151.11206	3.3
151.14873	4.6
158.99706	7.9
159.11691	10.5
161.09579	2.8
161.13260	7.7
163.11209	6.6
163.14813	7.2
165.12816	4.3
173.01288	3.3
175.14804	6.3
177.00734	3.9
177.12680	3.9
177.16454	4.8
183.45386	3.3
189.11256	3.2
189.16411	4.3
191.11909	3.9
201.00685	3.3
201.16234	3.5
215.17990	3.7
233.09567	3.7
244.09694	10.6
254.63771	8.3
261.09225	4.2
262.14352	4.4
270.12375	4.5
271.24176	5.7
275.64636	4.4
289.18027	3.9
289.25266	24.5
293.11636	4.6
307.26273	38.8
325.14557	13.2
325.27411	38.9
326.17502	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	325.2738
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03939	4.0
53.80894	2.1
55.01875	3.7
55.05515	35.3
57.03436	3.8
57.07084	13.4
64.76975	2.1
65.03938	4.9
67.05170	3.5
67.05508	43.6
69.03427	7.0
69.07068	53.3
69.36169	19.6
70.06622	2.4
71.04984	6.4
71.08624	7.5
79.05492	30.1
81.03418	8.8
81.07059	100.0
83.04982	13.9
83.08611	23.3
85.06543	11.9
85.10168	4.3
91.05479	25.0
93.07050	50.2
95.04974	74.9
95.08609	79.4
97.02888	2.9
97.06521	12.9
97.10178	21.3
98.21480	4.8
98.97601	4.5
99.04430	4.4
99.08099	5.3
105.07043	31.7
107.04956	4.2
107.08584	41.4
109.06490	12.7
109.09457	4.1
109.10159	49.1
111.08102	11.4
111.11700	6.0
113.06023	6.4
113.09682	2.2
117.07007	6.6
119.08588	29.8
121.06489	6.7
121.10139	28.0
123.08072	5.8
123.11709	18.7
124.61633	2.1
125.09626	9.6
131.08546	9.9
133.10114	17.5
135.08064	26.0
135.11667	16.6
137.05992	3.8
137.09608	4.2
137.13235	7.7
139.11180	4.5
145.02890	3.0
145.10132	14.4
147.11668	17.6
149.09584	8.1
149.13269	19.4
151.11105	2.5
151.14886	2.4
158.99658	3.2
159.07930	2.6
159.11694	7.5
161.09503	2.5
161.13251	8.7
163.11151	5.2
163.14835	4.3
165.12724	2.4
173.13246	2.8
175.14819	5.5
177.05547	4.0
177.12706	3.0
177.16370	4.4
187.32503	2.6
189.11275	4.8
189.16373	3.1
191.17725	2.6
195.21295	2.3
215.18015	4.8
244.09856	4.5
261.18665	3.4
271.16946	4.5
271.24185	5.0
289.18008	8.5
289.25262	37.2
307.18909	4.2
307.26291	44.5
325.14212	4.7
325.20370	3.7
325.27350	47.8
326.17651	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	325.2372
Annotation	(-)-Pironetin
Peak:m/z	Relative Intensity
55.01860	4.3
55.05510	28.2
57.03411	3.7
66.25085	2.3
67.05497	41.0
69.03445	3.6
69.07068	38.6
71.04975	2.8
71.08617	8.8
79.05492	22.7
81.03390	2.6
81.07053	46.5
83.04967	7.4
83.08613	17.5
91.05473	23.1
93.07032	31.4
95.04959	33.2
95.08609	40.9
97.06528	11.4
97.10172	13.6
98.21550	5.8
99.08109	13.2
105.07014	18.5
107.04945	7.6
107.08583	29.6
109.06514	14.9
109.10155	25.2
111.04443	12.5
111.08092	5.3
117.06961	5.6
119.08585	21.8
121.06502	10.2
121.10107	19.1
123.08057	7.7
123.11694	9.7
125.09629	11.0
131.08589	13.4
133.10133	20.9
135.08038	10.6
135.11659	15.1
137.09616	5.8
139.11200	3.1
143.08443	2.9
145.10094	15.3
147.11690	10.4
149.09624	22.0
149.13237	3.8
151.11179	8.2
153.12723	3.9
157.32489	2.8
159.11699	10.4
159.81306	3.0
161.09581	3.9
161.13319	3.7
163.11108	19.6
165.12761	13.2
171.11705	3.8
173.13275	3.8
177.12750	7.6
181.12300	4.0
181.15678	3.8
187.11201	6.0
187.14804	2.9
189.11211	8.8
205.12294	5.4
223.13306	25.0
229.19562	3.0
237.14763	3.7
239.17970	5.6
247.20642	6.4
251.16475	3.6
251.20140	8.0
251.79202	2.6
257.19003	13.1
261.22107	6.2
265.21597	12.5
275.20053	100.0
279.23203	7.4
289.21634	23.1
293.21115	60.6
307.22641	55.0
311.22150	8.5
325.23724	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	(-)-Pironetin
Peak:m/z	Relative Intensity
53.03938	4.8
55.01876	16.9
55.05511	48.8
55.06214	1.3
57.03439	8.3
57.07081	11.1
59.04979	2.5
61.12461	1.3
65.03939	1.9
67.05508	81.8
69.03421	5.3
69.07069	36.1
70.73197	2.7
70.73577	3.1
71.04993	5.5
71.08650	6.6
73.06557	1.8
77.03893	1.3
79.05498	45.8
81.03423	10.8
81.07060	87.1
83.04992	16.9
83.08620	28.2
83.50666	1.1
85.02887	4.7
85.06554	9.6
85.10181	7.7
91.04903	1.7
91.05481	46.3
93.07046	51.9
94.36446	1.1
95.04975	23.4
95.08611	53.8
97.02874	2.5
97.06534	9.6
97.10158	15.6
99.04485	1.8
99.08106	6.5
105.04455	1.5
105.07034	47.0
107.04955	13.9
107.08600	45.4
109.06533	10.8
109.10161	47.8
111.04430	5.1
111.08095	10.1
113.09651	8.5
117.07026	10.6
119.08581	22.7
121.06514	12.6
121.10151	22.1
123.04402	2.8
123.08093	11.2
123.11717	17.8
125.05984	2.2
125.09630	15.2
127.07534	2.7
129.07043	2.6
131.08575	20.5
133.06511	3.7
133.10133	66.3
135.08052	9.3
135.11702	17.7
137.09618	16.3
137.13257	2.4
139.07544	2.9
139.11183	2.8
141.07019	1.8
141.09123	6.8
143.08530	3.4
145.10115	18.3
147.08034	3.0
147.11703	11.4
148.05853	1.3
149.09610	14.3
149.13208	4.7
151.11180	51.7
153.09128	2.7
153.12746	3.4
155.08620	2.1
155.10637	1.2
157.10071	2.4
159.08047	2.2
159.11697	10.6
161.09596	5.2
161.13240	4.0
161.75502	1.4
163.11174	20.8
163.14767	3.3
165.09154	3.2
165.12752	6.5
167.10628	2.8
169.10063	2.6
169.12257	4.4
171.11690	3.8
173.09607	3.3
173.13263	7.7
175.11154	2.4
177.09052	1.6
177.12733	8.8
177.16376	1.7
179.10754	6.3
179.14297	1.4
181.12260	9.1
183.11832	2.1
183.13789	13.9
185.13261	1.3
187.11086	2.9
187.14793	2.3
189.12701	2.8
191.10693	2.4
191.14374	3.2
195.13763	4.6
197.13252	1.6
201.12781	1.9
205.12277	3.0
207.13812	2.7
209.11586	2.3
209.15271	2.7
211.13246	3.3
215.14328	2.0
215.17937	1.8
219.13828	3.8
223.13297	4.5
229.14256	2.6
229.19603	7.4
233.15302	1.5
237.14844	4.1
239.17938	6.2
247.20587	12.4
249.18254	1.6
257.18982	14.9
265.21628	11.9
275.20059	79.1
279.23120	1.9
289.21606	3.7
293.21118	100.0
307.22665	30.1
325.23694	19.3
325.27267	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	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.8
53.19212	3.0
55.01867	13.6
55.05519	24.1
56.51793	2.5
57.03436	6.8
57.98466	2.5
61.03984	2.6
67.05508	43.2
69.03435	27.8
69.07069	23.3
70.95751	7.7
71.04994	6.1
72.02988	2.6
77.08243	2.8
78.27122	2.3
79.05494	31.5
81.07064	100.0
83.04961	8.1
83.08617	16.2
85.06525	5.0
91.05482	32.8
93.07049	35.4
94.26475	2.5
95.04964	8.3
95.08043	3.4
95.08611	34.1
97.06543	19.2
97.10181	6.9
99.08119	4.0
105.07033	39.8
107.04938	4.6
107.08615	25.9
109.06538	13.0
109.10162	19.2
111.08102	7.5
117.07011	8.5
119.08592	33.3
121.10155	17.9
123.08049	12.3
123.11681	10.4
125.09653	6.3
129.07024	3.7
131.08583	13.8
133.10147	36.5
135.08066	7.3
135.11688	11.0
137.09595	10.4
143.08536	5.0
145.10146	11.2
147.11700	23.4
149.09613	11.0
149.13225	6.8
151.11168	7.0
151.95749	2.6
157.10120	6.2
159.11696	12.0
161.13271	5.7
163.11182	6.0
165.12755	12.1
173.13258	7.7
175.11171	4.2
185.13304	4.1
193.12234	3.6
229.19501	3.5
235.16920	20.8
239.17911	4.8
247.20599	7.9
257.19016	10.7
263.20087	34.8
275.20087	69.7
275.23114	3.8
289.21609	4.7
293.21176	16.1
295.22635	7.5
307.22546	11.0
325.23492	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	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02713	4.0
53.03933	4.3
55.01859	19.1
55.05510	25.4
57.03432	6.8
67.05507	55.9
69.03424	9.7
69.07076	32.8
70.44924	16.3
79.05495	44.9
81.03436	4.9
81.07060	100.0
83.04990	7.2
83.08611	16.8
85.41874	5.3
91.05486	37.9
93.07050	47.4
95.04951	12.4
95.08609	44.5
97.06531	29.8
97.10149	7.5
105.07024	42.5
105.39745	4.3
105.42004	4.4
107.04960	7.4
107.08585	31.5
109.06497	18.4
109.10143	24.6
111.08082	7.2
117.06995	11.0
119.08585	34.4
119.09315	5.8
120.02850	3.9
121.06525	8.3
121.10152	28.5
123.08055	11.7
123.11720	14.2
125.09599	5.4
131.08556	13.7
133.10143	38.2
135.08037	9.3
135.11687	17.0
137.09566	8.1
145.10150	23.7
147.11681	28.4
149.09604	15.3
149.13254	8.5
151.11151	10.0
157.10149	5.9
159.11702	12.3
161.13239	7.1
163.11272	9.4
165.12726	11.9
171.11671	9.2
173.13246	7.7
175.11176	7.3
183.11578	4.5
189.75119	5.9
197.13455	5.0
199.43863	4.3
211.92078	4.2
217.12881	4.0
239.17992	9.1
247.20564	5.8
257.18945	18.6
263.19998	37.4
275.20074	94.5
275.23080	6.0
289.21661	12.3
293.21082	16.9
295.22620	12.2
301.08762	5.3
307.22656	16.8
322.33762	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2373
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
55.01865	7.8
55.05516	30.9
57.03452	4.6
61.09635	3.3
62.62675	2.9
63.82846	3.4
67.05183	4.3
67.05511	51.1
68.74075	2.9
69.03425	16.9
69.07072	27.1
71.05006	4.1
74.89114	3.5
77.83042	3.4
79.05495	22.9
81.07062	56.1
83.05000	4.8
83.08622	11.1
88.17651	3.1
91.05495	26.2
93.07037	31.7
95.04970	8.3
95.08607	48.9
97.06525	12.0
97.10211	3.9
105.07040	25.1
107.04970	7.1
107.08593	28.0
109.06514	7.5
109.10172	34.4
111.08103	6.7
117.07032	10.2
119.08593	24.9
121.06471	4.4
121.10154	20.0
123.08110	5.0
123.11741	6.0
125.09662	7.5
131.08607	11.2
133.10132	28.1
135.08054	8.0
135.11694	14.6
137.09621	5.6
139.11182	3.7
142.07806	3.2
143.08589	4.9
145.10143	11.5
147.11728	15.6
149.09616	13.5
149.13278	7.9
151.11223	5.0
159.11670	10.6
161.13376	3.9
163.11198	10.6
165.12756	3.1
166.18312	3.0
171.11719	4.7
173.13220	5.7
175.11243	3.2
187.10988	3.5
215.17926	3.4
235.16977	10.6
239.17932	7.0
247.20677	7.5
257.18973	12.5
263.20303	3.7
265.21536	8.8
275.20068	100.0
276.20529	3.9
279.23279	6.5
289.21545	8.4
293.21140	22.2
304.39926	3.1
307.22720	13.1
311.22153	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	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.4
55.01860	10.6
55.05507	26.8
55.36103	2.6
57.03413	5.8
57.07077	3.6
60.10639	2.8
67.05506	54.8
69.03094	4.9
69.03435	88.0
69.06786	2.5
69.07069	29.5
70.81489	3.8
70.81817	5.5
71.04982	5.7
74.96453	2.6
79.05495	40.4
81.03403	4.1
81.07061	100.0
83.04972	11.1
83.08631	17.9
85.06530	9.2
91.05484	47.1
93.07045	44.3
95.04974	18.8
95.08610	49.5
97.06540	21.9
97.10155	6.9
99.08075	3.6
105.07026	40.2
107.04942	4.5
107.08596	31.3
109.06533	16.2
109.10149	29.8
111.08059	9.2
117.07008	9.7
119.08572	33.2
121.06528	8.0
121.10163	24.4
123.08049	11.8
123.11691	10.3
125.09621	6.9
125.57684	2.6
129.07011	3.9
131.08575	16.4
131.87292	3.1
133.10120	43.7
135.08026	8.5
135.11690	13.4
137.09605	10.7
143.08575	4.1
145.10104	12.8
147.11707	29.1
149.09583	14.4
149.13179	7.0
151.11179	12.7
153.12759	3.2
157.10060	7.1
159.11674	11.6
163.11214	7.1
165.12740	9.1
169.10156	3.2
170.66609	2.9
173.13235	7.9
175.11171	6.3
177.12730	5.5
183.11708	5.8
189.16397	6.3
193.12251	5.4
199.14795	6.7
207.17410	8.0
217.15892	7.9
229.19435	4.5
235.16951	65.3
239.18004	8.2
257.19016	11.1
263.20129	6.9
265.21600	5.5
275.20059	61.7
289.21570	7.5
293.21143	21.3
307.22726	18.4
325.23724	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	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	18.7
55.05511	64.5
57.03435	6.8
57.07070	10.7
62.05785	6.9
62.06090	98.3
63.06424	10.8
67.05177	7.2
67.05510	100.0
68.05847	7.3
69.03435	9.2
69.07079	35.9
69.45065	32.3
71.05000	6.2
71.08630	16.1
79.05497	48.0
81.03407	8.7
81.07058	94.2
82.07396	5.1
83.04980	15.0
83.08636	28.7
85.02910	8.8
85.06535	16.0
91.05485	45.3
93.07054	57.6
95.04957	29.1
95.08608	59.4
96.08969	3.8
97.06548	12.1
97.10172	8.6
99.08113	16.8
105.07028	39.5
107.04337	4.4
107.04963	18.9
107.08597	51.7
109.06517	17.8
109.10159	58.8
111.04453	6.7
111.08072	10.7
113.09614	7.2
116.19843	3.9
117.07005	8.3
119.08572	16.5
120.52961	4.3
121.06507	12.5
121.10163	20.9
123.08086	8.6
123.11720	15.5
125.09630	21.3
131.08582	15.2
133.10135	76.9
135.08058	10.7
135.11674	17.4
137.09596	13.5
139.11150	5.4
141.09105	6.6
145.10123	19.3
147.08041	4.7
147.11700	14.4
149.09673	23.0
149.13213	4.0
151.11186	79.5
159.11716	13.3
160.68745	3.8
161.09665	4.7
161.13298	4.0
162.09972	3.6
163.11197	17.9
165.12811	8.7
170.80539	4.1
171.11687	4.5
173.13278	6.7
177.12755	15.2
179.10669	14.9
181.12234	10.8
183.13803	20.2
187.91083	4.5
191.14304	6.7
195.13771	11.3
215.18079	4.4
219.13765	5.8
229.14365	8.1
229.19571	12.4
247.20619	28.2
257.18982	21.7
265.21652	14.2
275.20071	96.1
293.21152	79.6
307.22681	44.0
325.23663	15.0
325.29239	19.8
326.47827	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	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01858	0.8
55.05513	7.0
58.93479	0.5
67.05496	5.5
69.03424	0.9
69.07069	5.7
69.45051	3.7
69.45454	1.1
71.08629	11.3
73.00493	0.6
79.01047	0.5
79.05492	4.4
81.07060	5.8
81.24040	0.5
83.04982	1.1
83.08607	2.8
91.05463	2.3
93.07042	2.3
95.04961	2.1
95.08585	2.0
97.06513	0.8
97.10174	5.3
99.08086	6.0
105.07019	1.7
107.04953	1.9
107.08582	3.7
108.05717	0.8
109.06511	1.7
117.07000	0.8
119.08582	0.9
121.06507	4.2
121.10139	1.1
122.42728	0.6
123.08101	1.1
125.09627	5.4
131.08531	0.9
133.10162	0.7
135.08055	1.5
135.11696	0.7
149.09586	0.7
151.11278	1.1
159.11685	0.6
164.11975	0.7
165.12825	1.1
177.12758	1.7
179.10753	0.7
195.13791	0.6
203.12808	3.0
223.38840	0.5
227.69321	0.5
237.15103	1.0
257.19049	1.1
275.20035	3.9
292.75809	0.6
293.21106	100.0
294.21478	1.1
307.22653	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.2
54.18605	2.8
55.01863	8.8
55.05509	44.1
57.03427	6.8
57.59798	3.1
59.04972	3.8
60.19712	3.1
61.26476	3.2
65.26730	3.0
67.05507	92.1
69.03422	8.1
69.07068	26.0
69.35651	6.1
69.36055	21.8
71.04976	10.1
79.05489	46.5
81.03400	6.4
81.07055	64.2
83.04960	12.0
83.08627	20.4
85.06502	4.5
91.05484	34.0
93.07048	40.7
95.04952	15.5
95.08059	4.8
95.08607	61.2
96.97108	3.0
97.06536	15.6
97.10174	30.5
105.07018	45.5
107.04951	8.7
107.08607	45.0
109.06511	15.0
109.10141	48.2
111.08070	9.0
113.38699	3.0
117.06993	9.8
119.08568	30.9
119.69170	3.6
121.06539	5.9
121.10118	15.9
123.08017	3.5
123.11718	8.0
125.09634	30.5
129.07002	5.4
131.08568	19.4
133.10126	31.7
135.08029	12.8
135.11696	10.2
137.05954	8.6
137.09610	8.6
139.11148	5.2
145.10136	19.3
147.11687	16.2
149.09598	19.6
151.07480	4.2
151.11136	7.1
153.09077	7.5
155.10666	5.9
159.11667	10.4
161.13196	5.0
163.11211	12.9
169.10121	3.8
173.11801	4.6
173.13268	9.3
177.12788	7.8
183.11667	3.9
187.11171	6.2
189.12799	3.3
191.14305	4.5
203.12709	18.1
213.74928	3.1
229.08543	3.9
229.19554	4.8
239.17952	7.0
240.52580	4.3
247.20631	7.6
257.16550	4.0
257.18906	20.4
275.20053	100.0
289.18256	3.8
289.21396	8.0
293.21048	14.3
293.54675	3.2
307.19510	3.7
307.22635	18.6
325.14368	5.3
325.23691	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	325.2008
Annotation	Hynapene A
Peak:m/z	Relative Intensity
51.28891	1.6
53.03944	15.7
55.01854	6.1
55.05508	21.2
57.03432	12.7
60.69131	1.8
65.03920	2.9
67.05503	42.4
69.03413	6.7
69.07065	12.2
70.72990	4.5
71.01379	1.9
71.05000	22.1
74.83120	1.6
79.05491	46.2
81.03421	26.3
81.07056	100.0
83.04984	24.5
83.08607	9.9
85.02880	2.1
85.06535	4.8
91.05473	30.4
93.07044	34.6
95.04956	17.6
95.08607	32.1
97.02844	1.7
97.06532	10.7
97.10161	5.4
98.21191	1.7
99.08084	4.3
105.07029	21.8
107.04951	23.1
107.08577	17.1
109.05804	3.1
109.06517	48.4
109.10152	8.5
111.04427	4.1
111.08067	5.9
113.05984	1.8
115.05474	1.6
117.07042	11.9
119.04881	2.0
119.08584	16.8
121.06507	11.3
121.10141	16.7
123.04420	5.1
123.08058	17.1
123.11733	2.6
125.05975	3.2
125.09607	4.6
129.06998	5.5
131.08556	14.4
133.06471	4.7
133.10132	14.3
135.08089	9.1
135.11684	11.9
137.05984	5.6
137.09587	3.8
139.07504	5.5
139.11221	3.9
141.06995	5.3
141.09105	2.5
143.08563	5.1
145.06474	8.6
145.10129	8.5
147.08057	4.9
147.11632	3.4
149.09618	5.6
149.13252	5.3
151.07512	5.3
151.11127	2.7
155.08592	2.5
157.06566	1.9
157.10114	4.4
159.08029	7.0
159.11690	12.8
161.09602	3.0
163.11172	4.6
167.10704	4.6
169.10104	4.7
171.11659	3.3
173.09558	1.7
173.13257	4.6
175.11082	1.9
177.09097	4.2
177.12695	11.7
185.11626	1.9
187.11166	11.8
189.11215	2.3
189.12790	2.1
191.14355	3.2
195.13863	4.6
197.09740	2.1
197.13255	1.8
205.12167	2.2
205.15820	3.1
207.13844	3.0
219.13757	6.1
223.13339	6.1
224.79807	1.8
233.15408	5.0
237.14874	11.1
241.14311	6.4
243.17488	4.6
253.15865	3.4
257.18970	1.9
261.18411	9.7
271.16830	8.4
275.20111	6.6
289.17963	41.6
293.11871	2.1
307.18967	14.6
325.14175	6.5
325.19980	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	325.201
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03926	11.0
55.01871	41.1
55.05515	33.6
57.03436	32.1
57.21892	3.2
65.03915	4.5
67.05176	6.1
67.05505	81.4
69.07069	27.6
69.61297	19.7
71.01344	4.5
71.04958	6.3
77.77699	3.8
79.05068	6.8
79.05491	82.6
80.06271	3.5
81.03407	19.2
81.07059	71.6
83.04979	34.4
83.08614	10.8
85.06513	7.9
91.05485	81.0
93.07042	53.4
95.04968	75.4
95.08609	49.0
97.02876	8.5
97.06509	12.6
97.10142	4.8
98.07296	8.8
103.05432	5.1
105.07026	60.1
107.04958	100.0
107.08581	27.6
108.05728	5.7
109.06526	36.5
109.10151	20.4
111.04428	12.2
111.08105	5.4
112.05226	11.5
113.05975	5.8
115.05414	7.0
117.07024	30.4
119.04884	5.8
119.08592	32.1
120.05740	3.7
121.06478	24.8
121.10131	16.4
122.07274	44.7
123.04414	9.7
123.08051	11.3
123.11739	4.1
125.05934	5.7
125.09548	4.5
128.06181	9.0
129.06958	12.3
131.04926	4.6
131.08554	37.9
133.06497	20.9
133.10120	15.1
135.08052	22.6
135.11658	10.5
136.08864	4.1
137.05994	5.5
137.09587	8.4
141.06949	6.5
143.08536	16.2
145.06502	22.6
145.10143	24.6
147.08040	44.4
147.11615	6.7
148.08742	4.0
148.72081	4.5
149.09604	11.5
149.20845	4.0
151.07518	5.7
155.08482	6.9
157.10129	6.8
159.08076	8.0
159.11691	13.6
161.09622	29.0
162.10408	7.7
163.11148	13.4
165.09125	14.1
169.10129	11.3
171.11726	7.1
173.13237	15.1
175.11165	10.4
176.89430	3.6
177.12750	8.7
179.14139	4.6
185.13103	3.9
187.11176	3.7
187.14804	15.4
189.12689	4.9
197.13274	6.8
199.23636	5.0
205.15866	14.3
215.14331	14.2
216.14989	4.0
232.51573	3.5
233.15361	94.2
251.16426	23.8
273.18509	6.9
290.18719	19.8
291.19482	4.8
325.19827	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	325.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	18.2
53.61235	3.7
55.01866	12.8
55.05276	4.4
55.05513	45.2
56.96560	3.8
57.03422	12.4
57.07072	3.5
60.25936	3.1
61.81374	3.0
65.03876	4.1
67.05177	5.5
67.05505	83.1
67.19299	2.9
67.92234	3.1
69.03428	8.0
69.07072	29.2
69.21249	14.3
69.21671	19.5
71.04996	28.5
72.99290	3.2
73.06550	4.1
79.05061	6.7
79.05490	72.5
81.03420	28.1
81.07057	100.0
83.04984	32.4
83.08624	19.3
85.02896	7.2
85.06501	4.3
85.63232	3.5
91.04971	5.7
91.05479	66.6
93.07037	66.0
95.04971	49.8
95.08607	67.6
97.02868	3.5
97.06543	28.8
97.10171	17.1
98.20660	5.6
98.97588	5.6
99.08077	9.1
101.05976	4.6
105.07029	58.7
107.04959	19.2
107.08596	47.2
109.06505	33.1
109.10160	26.6
111.04399	3.9
111.08082	11.4
113.06005	4.6
115.05489	6.5
117.07015	21.6
119.07786	6.6
119.08575	55.9
120.08893	9.0
121.06499	19.1
121.10154	35.3
121.35265	3.3
123.08082	16.1
123.11665	6.2
125.05963	4.1
125.09622	11.5
128.06187	8.0
129.07004	16.3
131.08586	31.1
133.06480	9.5
133.10138	38.9
135.08069	19.3
135.11661	18.9
137.05971	18.6
137.09644	4.4
139.11201	4.4
141.06978	6.2
142.07755	7.5
143.08571	25.8
145.06487	8.0
145.10132	29.5
147.08037	14.6
147.11679	18.6
149.09601	7.4
149.13258	9.2
151.07535	5.8
151.11165	7.2
155.08534	9.3
156.09320	8.6
157.10121	23.6
159.08020	15.2
159.10332	4.6
159.11682	26.7
161.09607	13.7
161.13240	8.3
163.11186	10.0
165.12639	4.9
166.07866	4.8
167.08554	6.6
168.09348	5.5
169.10162	18.8
171.11705	16.8
173.09637	9.3
173.13245	13.7
175.11157	5.1
177.12708	7.4
179.08549	6.9
179.10687	5.0
181.10110	8.1
182.10873	7.9
183.10158	3.7
183.11685	12.3
185.09650	8.2
185.13257	11.0
187.11179	9.8
187.14842	4.9
189.11211	4.8
189.12770	6.4
191.14302	5.6
193.10159	8.9
193.12096	4.5
194.10866	4.6
195.11688	12.4
195.13705	3.3
197.13243	16.7
203.12755	4.6
205.12115	3.9
207.11653	8.7
207.13794	10.9
208.12392	4.2
209.13240	14.0
211.14801	10.1
213.12642	5.4
219.13811	8.8
221.13235	5.9
223.14780	9.7
226.13071	3.7
227.14221	8.4
228.07799	4.4
233.13310	7.0
233.15364	6.4
237.14664	4.8
237.16681	4.2
241.15858	5.1
243.17386	6.1
249.14780	6.0
251.14268	9.8
257.19037	8.3
261.18509	14.3
263.17880	8.0
269.15323	6.8
271.16812	16.7
275.20078	29.6
289.17926	54.1
289.21353	4.5
293.11194	4.2
293.21045	8.7
297.22153	8.3
307.20477	20.2
325.14249	29.1
325.20157	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.201
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03948	27.6
54.65959	1.8
55.01868	12.4
55.05276	3.7
55.05512	49.0
56.96559	2.3
57.03435	11.9
57.07074	2.8
59.04990	3.1
65.03932	4.7
66.12003	1.8
67.05505	68.0
69.03416	8.6
69.07059	17.3
69.91306	1.6
71.04993	52.4
71.27843	3.8
73.02898	2.5
73.06560	2.3
79.05495	56.1
81.03416	62.6
81.07058	72.5
83.04488	2.8
83.04984	57.5
83.08622	11.3
84.46779	1.7
85.06534	6.3
91.05482	49.8
93.06486	3.0
93.07048	58.8
95.04974	37.3
95.08611	49.5
97.06538	11.5
97.10154	5.8
98.21358	2.1
99.08095	4.6
101.05990	5.0
103.05471	4.2
105.07025	38.9
105.18867	2.0
107.04952	35.9
107.08593	25.7
109.06517	17.1
109.10138	13.8
111.04436	4.0
111.08083	8.2
113.05972	4.8
115.05463	2.0
117.07001	23.3
119.04942	4.7
119.08590	20.4
121.06509	18.9
121.10147	11.0
123.04416	7.3
123.08069	21.8
123.11757	2.1
125.05989	3.9
125.09533	2.9
128.06213	2.4
129.07021	11.7
131.04854	3.6
131.08572	24.2
133.06497	9.4
133.10114	22.2
135.04430	1.8
135.08054	10.7
135.11694	17.8
137.05956	8.1
137.09564	4.6
139.07536	2.3
141.06973	8.3
143.08527	8.9
145.06497	14.6
145.10141	16.3
146.07248	1.9
147.08049	10.7
147.11696	9.9
149.09642	6.0
149.13249	4.9
151.07521	3.8
151.11197	4.3
155.08527	6.4
156.09312	2.0
157.10071	9.8
159.08017	16.5
159.11671	21.0
161.09647	12.5
161.13239	5.4
163.07573	2.1
163.11194	7.5
165.09094	2.0
169.10135	7.3
171.11688	13.3
173.09644	9.0
173.13240	7.5
175.11176	4.0
177.09076	4.1
177.12750	13.1
179.10611	2.4
183.10143	7.0
183.11638	4.4
185.09668	3.4
185.13243	4.4
187.11168	10.9
187.14857	2.4
189.12769	6.4
191.14290	5.8
193.12311	2.1
195.11598	3.0
195.13759	3.9
199.11145	3.1
201.12679	4.6
203.14406	2.5
205.12251	5.2
205.16023	3.5
207.13815	22.7
211.11028	2.2
213.12653	3.0
215.14305	3.6
217.12349	2.6
219.13750	12.3
223.13234	5.4
225.12880	2.5
225.16414	3.1
231.13814	5.8
233.11707	4.5
233.15306	7.3
235.13313	7.3
237.14806	11.5
243.17470	5.3
249.14825	11.6
253.15894	4.1
261.18478	22.9
271.16907	31.6
275.20044	5.3
289.17981	100.0
307.19058	11.8
325.20087	97.4
335.38754	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03950	19.0
55.01871	13.3
55.05262	2.6
55.05513	35.7
55.05770	1.4
57.03440	11.8
60.82203	1.8
65.03932	3.6
67.05506	56.9
69.03419	6.7
69.07077	15.3
70.28138	7.2
71.04652	2.8
71.04999	36.5
76.87517	1.9
79.05065	3.3
79.05496	48.1
81.03423	31.8
81.07062	59.5
83.04987	74.1
83.08617	7.4
85.06549	5.4
91.05486	40.1
93.07048	48.8
95.04980	23.7
95.08610	42.9
97.02866	2.6
97.06538	32.1
97.10181	3.6
98.21431	2.6
99.04456	6.6
99.08090	3.9
101.06007	3.3
103.05466	2.3
105.07036	39.5
107.04962	24.6
107.08593	24.1
109.02849	2.1
109.06541	16.0
109.10155	16.4
111.04425	5.6
111.08089	9.7
113.06033	2.2
113.41840	2.2
115.05435	2.1
117.07012	17.0
119.04942	2.3
119.08592	20.3
121.06495	15.1
121.10157	10.2
123.04432	7.6
123.08065	15.1
123.11674	4.4
125.05996	8.1
125.09634	3.1
129.07011	10.9
131.05000	2.0
131.08585	22.0
133.06493	9.1
133.10133	21.4
135.08052	10.3
135.11685	13.9
137.05975	8.2
137.09607	6.2
141.06999	5.6
143.08551	8.1
145.06487	8.5
145.10156	16.1
147.08046	10.7
147.11736	9.3
149.06035	3.4
149.09627	9.0
149.13196	4.5
151.07556	3.9
151.11180	9.1
153.09116	2.9
155.08481	4.4
157.10155	7.3
159.08034	11.1
159.11697	11.9
161.09601	8.4
161.13255	7.0
163.07582	12.0
163.11185	13.1
165.09163	2.0
169.10138	8.1
171.11691	8.5
173.09615	5.5
173.13271	5.9
175.11205	3.3
177.09117	3.8
177.12701	11.1
178.13574	2.0
179.14259	1.7
181.10204	2.5
183.10197	3.9
183.11703	4.3
185.13220	2.3
187.11217	8.6
187.14807	2.6
189.12746	6.1
191.14290	4.7
193.17967	2.1
195.11729	2.4
195.13824	2.5
197.13324	2.4
201.12723	4.7
205.12180	3.0
205.15865	9.8
207.13824	6.5
209.89056	1.8
215.14308	4.5
215.17897	2.4
217.12199	2.4
219.13820	5.2
223.13191	3.0
225.16489	2.4
233.15343	20.6
235.13181	4.5
237.14871	5.7
241.37804	1.8
243.17497	7.2
253.15883	5.8
261.18481	24.4
271.16885	14.5
275.20108	4.7
289.17996	100.0
307.18988	38.5
307.30167	1.8
325.14142	3.3
325.19858	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	325.2007
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03936	6.7
55.01878	11.1
55.05263	2.6
55.05513	36.0
57.03437	16.8
57.07067	2.9
59.04986	2.1
65.03929	2.4
67.05508	83.2
69.03436	9.2
69.06725	2.4
69.07072	27.0
69.42719	1.6
71.04990	5.8
71.08643	2.7
71.56867	2.5
79.05499	51.0
81.03418	17.8
81.07059	74.6
83.04992	23.8
83.08619	20.9
85.06531	5.4
91.05486	47.3
91.72891	1.3
93.07047	58.2
93.07634	3.0
95.04978	19.5
95.08609	53.6
97.02906	1.4
97.05911	2.5
97.06533	42.4
97.10164	16.7
99.08102	3.1
105.07033	46.5
107.04959	22.4
107.08605	44.3
109.06518	14.9
109.09467	2.7
109.10159	39.1
110.90820	1.5
111.04428	7.3
111.08104	9.3
113.06005	3.1
115.05443	2.3
117.07033	18.3
119.04955	3.0
119.08585	37.2
121.06523	13.8
121.10148	28.3
123.04467	1.8
123.08080	17.3
123.11729	8.6
125.05982	5.6
125.09639	20.7
127.07559	1.6
129.07002	6.5
130.07715	1.7
130.53662	1.5
131.08569	23.4
133.06499	5.0
133.10138	37.2
135.08067	14.7
135.11696	15.9
137.05992	23.1
137.09615	12.8
139.11191	3.9
141.07010	5.1
142.07750	2.1
143.08557	4.9
145.06490	6.8
145.10144	22.5
147.08025	5.7
147.11671	18.3
149.09630	16.7
149.13264	8.3
151.07504	5.4
151.11176	9.0
153.09094	3.6
155.08539	4.1
155.10611	1.6
157.10161	9.4
159.08057	12.1
159.11693	21.9
161.09654	5.4
161.13264	5.9
163.07455	1.7
163.11195	15.0
163.14694	1.6
165.09123	3.2
165.12756	2.7
167.10648	3.9
169.10120	7.7
171.11705	6.9
173.09630	3.4
173.11720	3.9
173.13252	8.8
175.11256	7.1
175.14815	3.1
177.09113	2.5
177.12776	9.8
179.14388	2.3
181.12206	3.1
183.11676	5.1
185.13248	3.3
187.11192	8.0
187.14847	3.3
189.09120	1.6
189.11194	4.2
189.12682	3.7
191.14357	2.5
192.76578	1.7
193.12199	3.1
195.13779	4.4
197.13303	4.4
199.14879	2.8
201.09135	5.2
201.16316	2.2
203.12753	8.6
205.10362	1.7
205.12238	5.2
205.15875	3.1
207.13808	2.7
211.14925	1.9
213.16397	2.3
215.14369	3.3
215.17973	3.1
219.13904	2.6
220.14847	1.5
223.13258	7.4
229.08640	1.8
229.19481	5.3
233.09711	2.2
233.15398	12.8
233.18939	3.3
237.14809	2.8
239.18015	10.5
241.14418	9.2
243.17520	1.9
247.20564	4.4
251.20212	1.9
257.19034	19.5
261.09183	2.8
261.18478	6.9
265.12439	1.8
265.21750	3.0
271.16818	11.2
275.20078	100.0
279.22955	1.6
289.17990	43.6
289.21567	9.7
293.11816	4.1
293.21146	16.9
295.09573	1.5
307.19025	17.8
307.22696	10.0
325.14307	21.5
325.19849	7.2
325.23776	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01866	2.6
57.03441	3.0
58.45465	0.6
59.05005	0.8
61.02926	1.2
67.05486	1.0
69.03433	16.2
69.56376	4.1
70.06591	0.8
71.01348	0.8
71.04997	5.4
79.05481	0.7
81.02927	0.8
81.03420	16.0
81.07062	0.6
84.08155	1.3
85.02900	3.0
91.05478	1.9
95.08596	0.6
97.02879	1.0
97.06521	0.9
99.04457	5.1
107.08624	0.9
109.14987	0.6
117.05481	1.5
118.06532	4.0
127.04041	0.7
137.05968	1.4
145.06487	2.2
145.07607	6.9
147.09189	8.1
162.07881	0.9
163.07472	1.3
163.08708	1.2
173.07101	11.9
175.08705	5.7
179.03423	0.6
191.08157	100.0
205.09760	0.7
207.03142	0.7
233.09270	1.4
253.17256	0.5
267.06387	0.8
268.07254	0.8
289.11920	1.8
296.06650	0.9
307.12897	31.3
325.07373	6.5
325.13907	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	325.1071
Annotation	Vitexdoin C
Peak:m/z	Relative Intensity
52.65403	0.5
53.03960	0.6
53.63130	0.5
55.01889	0.8
55.05511	6.0
56.96592	1.3
57.03452	1.7
57.07100	1.5
61.02916	0.8
65.03951	0.5
67.05508	7.3
69.03452	1.9
69.07069	10.2
71.04991	2.9
71.08665	0.6
71.56660	0.7
73.02950	0.6
79.05495	5.0
81.03451	1.8
81.07056	11.0
81.07513	0.6
83.04995	1.5
83.08614	3.7
85.02934	0.5
85.06554	1.4
86.06071	0.7
87.04491	0.7
87.56366	0.4
91.05473	3.9
93.07037	6.2
95.04998	2.0
95.08605	11.2
97.02894	1.3
97.06551	6.1
97.10176	4.7
98.97601	1.8
99.08113	1.7
105.07011	2.9
107.04989	1.3
107.08604	4.5
109.06506	2.8
109.10159	5.9
110.97644	0.6
111.04474	0.5
111.08137	1.6
111.11745	1.7
115.07613	1.6
116.98601	0.8
117.07047	0.6
119.05058	0.4
119.08560	3.4
121.06552	1.5
121.10136	3.3
123.08106	2.0
123.11682	2.3
123.18584	0.5
125.09657	2.1
129.07037	1.7
130.36522	0.5
131.00197	1.4
131.08597	1.8
133.10118	2.3
135.08080	0.7
135.11732	1.9
137.06029	1.8
137.09689	1.0
137.13345	0.7
139.11215	1.2
143.08551	0.6
145.06506	0.7
145.10150	1.2
147.03136	0.6
147.11752	1.5
149.01244	1.4
149.06015	0.6
149.09680	0.9
149.13301	1.4
151.03903	1.1
151.14842	1.3
155.08511	0.5
156.03633	1.0
157.10153	0.6
159.08090	0.6
159.11678	1.0
161.13260	1.2
163.11217	0.9
163.14841	0.6
165.07048	2.2
165.12827	0.5
166.07822	1.3
167.02615	0.5
169.10043	0.6
173.01157	0.5
173.09732	0.5
175.11195	1.0
176.06291	1.3
177.06984	12.2
178.07697	0.8
179.08575	0.7
181.06520	0.7
184.05026	0.6
189.11288	1.1
191.08560	0.9
192.05711	1.1
193.06499	1.0
193.12233	0.6
194.07268	10.7
194.08897	0.8
195.08083	0.7
201.05547	0.6
202.06299	1.4
204.05739	1.7
205.06485	34.5
205.95381	0.5
206.07237	2.4
207.08095	1.4
209.09624	1.4
209.11473	0.6
211.07552	1.7
218.07149	0.6
219.08109	2.1
220.05202	10.0
221.05980	6.2
222.06760	24.0
223.07564	2.1
225.09164	0.7
228.16626	0.5
229.08575	0.7
233.05952	16.7
233.15201	0.6
234.06750	6.2
235.05200	0.8
235.07541	11.2
236.08289	1.0
237.05682	2.3
237.09102	37.4
238.09866	0.6
239.07080	3.3
240.07790	0.8
244.09628	6.1
244.59848	1.0
247.07605	1.4
248.04672	2.6
248.08315	0.7
249.05437	5.7
250.06258	40.3
251.07010	8.8
252.07697	0.7
253.08603	0.8
254.09390	1.4
261.05453	4.4
261.18460	0.9
262.06363	0.6
263.07043	10.7
263.16382	2.0
264.07910	3.3
264.60965	0.6
265.08594	78.4
266.06241	0.6
266.09299	5.8
267.06516	3.0
271.16891	1.3
277.04993	1.9
277.08563	0.7
278.05750	15.1
279.06497	2.9
279.09665	0.7
280.07343	4.2
281.08023	1.1
281.11581	0.6
282.08902	2.6
283.09564	1.4
289.18060	2.6
289.25183	0.8
292.07297	5.6
293.08072	100.0
294.08807	4.7
295.06076	1.1
295.09644	1.3
296.10339	0.6
297.11218	33.1
299.09131	0.6
307.09625	9.7
307.18991	1.4
307.26294	3.2
310.08344	3.1
313.10696	7.3
325.10681	55.6
325.15967	3.4
325.22153	7.7
325.27359	2.0
325.62527	1.0
327.08542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2169
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
51.93195	0.3
52.65737	0.3
53.03926	1.0
55.01858	0.8
55.05510	2.1
55.12041	0.3
56.05047	1.6
56.96559	1.1
57.03418	0.4
65.03928	0.7
67.05185	0.3
67.05510	5.2
68.05024	0.6
69.03434	4.0
69.07072	2.8
69.41931	2.6
69.42274	0.4
70.06598	2.6
71.04995	0.5
79.05497	11.4
80.05023	1.8
81.07058	7.0
82.06586	6.1
83.08608	1.3
84.04494	2.0
85.02908	0.5
85.06529	0.9
86.06073	16.7
87.04474	8.2
91.05491	6.3
92.05824	0.5
93.07053	8.0
94.06577	4.4
95.04956	1.3
95.07365	0.8
95.08605	3.2
96.08123	1.9
97.06526	1.0
97.10152	0.4
98.06061	4.9
98.20785	0.7
98.97583	1.2
99.08078	0.4
102.05536	1.0
105.04499	0.6
105.07039	5.0
106.06522	0.4
107.04974	0.5
107.08607	2.2
108.08113	2.2
109.06556	0.7
109.08932	0.4
109.10160	1.1
111.08123	0.3
113.00024	0.9
116.07082	0.6
116.98604	0.6
117.07013	1.2
119.08577	2.9
120.08085	0.9
121.10122	0.7
122.06003	0.5
122.09678	3.9
123.08075	0.7
124.07586	1.8
128.06171	0.3
129.07021	1.7
131.00101	0.5
131.08569	0.9
132.14691	0.3
133.10123	1.3
135.08101	0.4
135.11664	0.4
136.07591	0.7
143.08571	0.9
145.10130	1.0
147.11699	2.9
148.07579	1.1
149.13210	0.4
150.09134	5.2
151.59036	0.3
158.99669	0.5
159.11685	0.4
161.09779	0.3
161.13275	1.4
162.09111	1.3
164.10794	0.5
164.15399	0.3
167.09441	0.3
168.10214	1.8
169.02615	0.7
170.03041	0.4
171.11671	2.3
173.13155	0.6
176.10799	0.3
181.11018	0.5
189.12717	2.7
204.13907	0.4
206.15395	1.3
224.44846	0.4
238.18031	1.3
246.18521	0.6
264.19742	0.4
273.61020	0.3
274.18024	4.4
306.20834	0.5
324.21701	100.0
325.22162	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2169
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.05511	3.4
55.79225	0.7
56.96566	1.6
57.03443	1.0
57.07071	0.8
67.05510	6.8
69.03426	1.1
69.07071	10.7
71.04976	0.8
71.57353	0.7
79.05489	4.8
81.03422	1.2
81.07061	7.8
82.07379	1.4
83.04987	3.4
83.08643	1.6
85.02921	0.8
86.09708	100.0
91.05477	10.6
93.07043	13.5
94.07375	1.2
94.60992	0.7
95.04951	3.6
95.08606	4.1
97.02832	1.0
97.06519	1.5
97.10201	1.7
98.97586	0.9
105.07031	12.6
106.07395	0.7
107.08610	4.0
109.06513	10.1
109.10194	2.3
110.10435	0.8
111.08092	3.6
113.06034	1.6
117.07025	1.8
118.07335	1.1
119.08595	6.4
120.08881	0.8
121.06386	0.8
121.10156	2.4
123.08076	1.8
125.09615	1.0
128.10704	4.3
129.07002	1.2
131.00182	1.0
131.08553	4.7
132.10211	30.5
133.06496	1.6
133.10141	18.0
135.08026	1.2
137.05963	1.1
145.10103	0.9
146.10495	0.7
147.08057	1.5
147.11694	11.8
149.09615	2.2
149.13174	0.8
151.07538	2.7
151.11192	40.9
156.10233	1.3
157.10161	1.0
165.12776	2.4
175.11194	3.9
193.12292	3.8
218.48750	0.8
222.14864	1.3
243.10631	2.7
260.20181	6.5
274.18872	1.8
278.21146	33.2
292.20020	1.6
306.20850	11.2
316.72650	1.0
324.13315	4.5
324.21793	25.9
324.63580	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86186	1.3
52.35153	1.2
52.62118	1.3
55.05505	1.6
56.05037	1.6
56.91731	1.2
56.96563	3.7
57.03454	1.5
61.02925	3.1
67.05492	4.3
69.03428	4.6
69.07072	5.2
69.75220	4.3
69.75637	3.6
70.06580	7.8
72.08152	3.3
73.02912	1.9
74.06074	5.8
79.05482	3.1
81.03429	4.0
81.07062	24.1
83.05059	1.3
84.08138	2.9
85.02901	16.4
85.06544	33.1
87.04469	1.7
91.05492	2.9
93.07053	1.9
97.02902	4.8
97.06532	5.8
98.97572	10.0
99.08096	5.3
107.04961	2.0
109.02868	2.2
109.06512	18.6
109.10126	1.3
115.07570	16.5
116.98643	3.5
119.01884	1.3
119.04978	1.4
120.01130	2.1
120.08116	19.6
127.03904	2.3
127.07555	100.0
131.00143	1.2
145.05002	1.8
145.08591	32.9
145.09669	2.4
158.99692	3.2
159.07736	2.8
162.05417	3.0
163.03868	6.0
166.08661	5.9
177.00742	1.5
219.01682	3.2
233.86134	1.7
260.12808	4.4
264.10800	3.5
278.13867	1.5
283.13177	2.7
292.10294	2.7
301.14545	2.5
324.10101	8.1
324.14960	2.0
324.18317	3.9
325.14426	1.5
348.62183	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1075
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
52.19566	0.3
56.68545	0.3
56.96553	1.6
61.02904	0.5
67.05492	0.7
69.03426	1.4
69.07056	0.7
70.06573	1.2
71.04985	0.6
71.18620	0.6
71.18980	0.6
72.08127	0.7
73.02926	0.5
79.05474	1.2
81.03416	0.9
81.07059	4.8
84.04523	0.6
84.08121	1.2
84.96062	0.4
85.02906	4.5
85.06548	6.6
85.08488	0.5
86.09718	0.5
91.05479	0.6
97.02910	1.8
97.06549	0.6
98.97595	1.8
99.04448	0.7
99.08054	1.0
102.75793	0.4
109.02874	0.6
109.06508	2.5
110.97571	0.4
115.07552	0.8
116.04950	0.7
116.98606	0.7
118.43010	0.3
120.04467	1.1
120.08070	0.4
127.03907	1.2
127.07558	14.2
131.08167	0.4
144.04411	0.4
145.02878	0.6
145.04953	0.7
145.08606	2.8
147.04407	0.4
148.04834	0.4
158.99678	0.7
161.02130	0.5
162.05505	100.0
163.03938	0.5
163.05913	0.7
185.04289	0.8
186.04590	1.2
208.08371	1.1
219.01768	0.5
219.06854	0.4
237.02983	0.4
260.12784	0.6
269.39542	0.3
301.02731	0.4
324.07440	2.3
324.10590	20.6
324.22781	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1055
Annotation	Tazarotenic acid
Peak:m/z	Relative Intensity
55.01862	0.9
55.05504	1.0
56.96556	1.6
57.03424	1.3
61.02911	1.0
67.05502	3.8
69.03414	2.5
69.07064	5.8
69.47351	0.5
69.47683	4.6
70.06593	10.7
71.05022	1.2
72.08144	1.3
73.02922	1.0
74.00665	1.4
79.05500	2.1
79.36705	0.7
81.07042	2.2
84.08133	1.4
85.02916	5.3
86.09695	2.2
87.04484	0.8
91.05482	4.4
93.07027	1.3
95.08625	0.9
97.02884	2.8
97.06512	2.6
98.20798	0.7
98.97594	4.3
99.04482	0.9
105.07014	1.1
107.08600	1.0
108.08180	0.7
109.06502	0.9
109.10159	13.5
110.97552	0.7
111.05588	1.6
111.11693	0.9
115.03887	0.8
116.98605	1.9
117.03392	1.8
117.06999	0.6
119.08582	0.9
120.08111	0.8
122.02758	0.9
126.05454	0.9
127.03931	1.4
127.09772	0.8
127.11187	7.4
128.98663	0.6
131.08540	0.9
135.04333	0.8
136.07591	1.9
137.05957	2.0
137.07893	2.4
139.05002	1.9
143.00220	0.7
145.02835	6.1
145.04948	1.3
149.01198	0.9
149.06000	1.4
149.09587	0.6
151.07671	0.7
154.08632	1.5
155.09001	0.8
156.10228	1.7
158.99675	1.9
162.05493	0.8
164.07025	1.9
165.07509	1.4
165.12012	0.7
167.11842	1.1
176.07068	0.6
177.00717	1.3
177.05469	10.6
179.05466	0.9
179.10840	0.7
188.07352	1.6
190.09862	1.5
191.08244	0.8
192.06561	1.3
195.11327	3.0
207.93056	0.6
219.01811	1.5
236.55807	0.6
243.08948	2.0
253.10422	0.9
260.12762	2.2
262.10895	0.7
262.14328	1.0
267.10300	0.8
275.15121	0.6
278.14105	0.7
288.12250	1.6
292.19907	0.9
293.16238	3.2
306.13327	2.9
306.16840	0.9
309.64645	0.7
315.17609	0.9
324.10553	100.0
324.15027	7.0
340.07254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.258
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03944	3.6
55.01868	6.6
55.05513	33.4
56.96560	7.3
57.03429	5.5
57.07079	13.2
58.49632	1.8
59.04999	3.6
61.02917	2.8
65.03945	1.9
67.05502	41.6
69.03445	9.3
69.07071	54.2
70.06576	2.2
71.04985	4.9
71.08616	5.9
79.05491	32.6
81.03424	7.0
81.07060	100.0
83.04984	7.7
83.08620	29.4
85.02913	4.3
85.06533	9.8
91.03970	1.6
91.04951	2.6
91.05484	21.3
93.07049	40.2
95.04987	16.0
95.08607	63.4
97.02852	3.7
97.06541	14.6
97.10172	43.8
98.21527	4.7
98.97581	11.3
99.04436	2.2
99.08102	7.0
103.05401	1.7
105.07034	21.0
107.04955	6.5
107.08601	43.7
109.06527	10.7
109.10152	40.9
111.08091	7.2
111.11736	10.8
113.00019	4.1
113.06020	2.5
116.98643	4.9
117.07005	7.6
119.04973	2.0
119.08582	21.0
121.06523	7.5
121.10145	28.3
123.04442	2.6
123.08109	9.6
123.10815	4.0
123.11711	77.0
125.05982	3.8
125.09660	15.2
125.13268	5.0
129.07008	5.9
131.00113	2.6
131.08582	7.7
133.02852	2.0
133.06523	3.8
133.10146	14.7
135.08078	9.0
135.11679	28.6
137.05965	6.3
137.09601	7.5
137.13257	12.4
139.07506	4.3
139.11194	21.1
141.01857	2.8
143.08611	3.8
145.06552	2.3
145.10144	5.1
147.08026	3.6
147.11703	10.0
149.05995	6.4
149.09624	5.8
149.13280	23.1
151.03893	2.2
151.07545	4.2
151.11201	4.8
151.14844	1.9
153.05530	2.6
153.09122	5.2
153.12746	5.0
157.10150	4.7
157.12231	12.9
158.99681	4.1
159.08072	2.0
159.11641	4.1
161.09654	3.6
161.13301	5.4
163.11206	3.8
163.14807	8.5
165.09108	4.9
165.12738	2.6
165.16397	2.1
167.10678	4.2
169.02602	4.8
169.10136	2.2
171.11604	2.6
173.01218	2.3
173.11737	2.2
173.13303	2.6
175.07555	2.3
175.14888	3.1
177.00690	2.6
177.12799	2.0
177.16354	7.0
179.10696	3.1
181.10089	1.8
185.13225	3.6
187.14754	1.7
189.12791	1.8
189.16396	5.3
193.08646	2.6
195.06483	1.7
195.13875	2.0
195.17421	2.3
201.16454	2.1
203.12749	2.4
203.14369	1.9
203.18022	6.6
207.17265	2.0
208.34229	1.8
213.16496	2.5
219.13776	2.1
223.06003	7.7
227.12668	2.2
229.07455	1.9
235.17078	1.8
249.18639	2.2
259.24231	19.2
265.10806	10.5
267.15811	2.1
269.22675	2.4
273.18497	3.4
277.17926	4.0
277.25238	18.6
281.07840	1.8
286.89331	2.0
287.16385	5.1
287.23712	7.5
291.19559	11.8
293.08307	8.3
305.17758	13.5
305.21149	4.2
305.24667	23.8
323.09048	5.6
323.12534	3.8
323.18298	11.6
323.22229	2.9
323.25671	11.9
324.21735	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	323.2581
Annotation	18,19-Dihydroxynerylgeraniol
Peak:m/z	Relative Intensity
53.03942	4.1
55.01849	4.5
55.05510	26.2
57.03426	5.2
57.07081	19.7
65.03931	2.4
67.05505	61.7
69.03430	2.3
69.07069	25.9
71.04987	4.7
71.55764	3.1
73.06516	1.6
73.58211	1.8
79.05495	56.2
81.03423	9.2
81.07058	72.1
83.04630	1.4
83.04986	14.6
83.08608	14.8
85.06542	9.5
85.10181	36.6
91.05483	31.4
93.07043	63.2
95.04978	13.7
95.08606	63.7
97.06534	11.7
97.10179	8.9
99.08056	2.5
105.07028	21.1
107.04934	5.5
107.08601	37.4
109.06490	6.8
109.09597	1.9
109.10179	20.8
111.08088	2.8
113.06001	7.5
113.09642	45.9
117.07022	3.8
119.08582	21.1
120.19500	1.7
121.06541	4.5
121.10141	34.5
123.08069	2.3
123.11674	5.2
125.09593	4.6
127.07555	1.9
129.07004	3.5
131.08548	6.4
133.10117	15.1
135.08064	5.2
135.11702	36.1
137.09636	4.7
139.11172	2.6
143.08537	3.1
145.10114	7.7
147.08183	2.3
147.11670	5.3
149.09537	3.6
149.13257	29.0
150.09930	1.7
151.11153	4.3
155.10597	3.8
157.10115	3.7
159.11649	4.8
161.09578	3.1
161.13255	11.1
163.11183	9.5
163.14793	6.1
165.12772	16.4
167.14297	2.0
171.11659	3.5
173.13280	4.1
175.11020	2.2
175.14780	3.3
177.12708	6.4
179.14310	100.0
185.13264	3.0
186.97725	1.7
189.12695	3.2
191.14317	2.1
193.12262	2.6
193.15869	5.9
195.13779	3.8
199.14758	1.9
203.14342	2.6
207.17441	38.6
209.15404	5.4
221.15331	4.5
223.13338	1.9
235.16934	11.8
249.18333	2.5
255.21309	2.8
273.18445	6.3
273.22116	5.6
291.10211	3.6
291.19540	20.0
291.23145	92.4
292.23309	1.6
305.21176	5.4
323.12662	2.7
323.22369	3.1
323.25842	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	323.2216
Annotation	Decylubiquinone
Peak:m/z	Relative Intensity
53.03935	3.2
53.31023	1.4
55.01879	9.3
55.05510	25.5
57.03431	5.4
59.04988	1.4
65.03953	2.0
67.05177	2.7
67.05508	38.2
69.03423	3.4
69.07071	11.3
69.59306	1.4
71.01340	1.7
71.04983	4.1
71.38364	2.0
79.05496	37.5
81.03413	3.5
81.07058	36.2
83.04976	5.3
83.08615	14.7
85.06529	4.3
91.05483	27.2
93.07043	41.8
95.04969	9.1
95.08608	52.8
97.06531	6.1
97.10180	23.4
98.97561	2.0
99.08099	2.8
105.07034	26.3
107.04974	6.1
107.08597	32.2
109.06529	6.7
109.10153	11.7
111.04453	1.4
111.08089	7.0
112.99988	3.3
117.07026	18.3
119.08586	31.6
121.06512	6.1
121.10148	55.8
123.08073	17.6
123.11752	3.2
124.60704	1.4
125.09633	26.7
127.07558	1.3
128.06262	1.6
129.07019	9.2
131.08577	17.4
133.06493	10.9
133.10135	12.6
135.08051	16.0
135.11691	7.8
137.09602	10.1
139.11188	1.3
141.06885	1.5
142.07753	1.6
143.08582	6.4
145.10129	20.7
147.08029	19.4
147.11696	7.5
149.09637	11.5
149.13269	2.4
151.07555	3.9
151.11200	2.1
153.09044	7.0
155.10620	1.9
157.10153	7.3
157.12209	2.2
157.73723	1.5
159.08057	4.2
159.11711	6.4
161.09607	12.0
161.13240	3.5
163.11180	8.2
165.09129	4.8
169.02675	3.0
169.10112	2.8
171.10265	1.4
171.11676	5.2
173.09563	2.8
173.13194	1.7
175.11205	6.3
177.12859	2.3
185.09631	1.6
185.13229	3.5
187.11200	2.3
189.12761	2.3
199.11119	2.3
203.12772	34.1
203.14534	2.8
203.17874	1.7
213.16347	2.0
227.17973	4.4
228.83769	1.4
237.16464	3.4
245.19026	3.3
251.36702	1.4
255.17288	7.8
263.20050	4.7
269.47510	1.4
273.18494	42.3
277.93253	1.9
279.19598	2.3
287.20105	2.9
291.19553	26.2
305.21109	100.0
306.21527	1.6
323.12790	2.8
323.19022	2.9
323.22198	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.8
55.01674	1.5
55.01872	18.4
55.05513	42.0
57.03431	8.0
57.07062	3.7
58.45774	1.5
65.03917	2.8
67.05505	72.6
69.03433	11.3
69.06725	2.4
69.07072	26.4
69.36900	13.0
71.04969	4.2
79.05494	53.0
81.03413	5.4
81.07060	86.0
83.01329	4.9
83.04967	19.9
83.08619	14.8
85.06545	9.4
91.05483	58.7
93.07047	66.2
95.04968	17.6
95.08607	41.5
97.02900	3.2
97.06546	12.4
97.10160	8.6
98.55394	1.7
99.08110	2.4
101.06016	2.0
102.80129	1.5
103.05430	2.7
105.04448	2.0
105.07034	57.5
107.04963	17.2
107.08595	53.1
109.06520	15.8
109.10161	53.1
109.10913	2.6
111.04429	9.6
111.08096	14.2
111.96600	1.7
113.05988	2.2
115.07568	1.7
117.07006	12.8
119.04898	2.6
119.07787	3.0
119.08586	29.1
121.06510	19.0
121.10145	17.6
123.04402	4.9
123.08047	10.7
123.11714	16.5
125.05933	4.0
125.09628	5.0
127.07517	1.9
129.06979	9.0
130.07703	1.6
131.08582	21.3
133.06500	17.4
133.10135	91.1
135.08072	12.3
135.11714	11.4
137.05965	4.9
137.09601	5.8
139.07532	11.3
139.11121	2.0
143.08551	11.3
145.06445	2.5
145.10138	16.7
147.08038	13.7
147.11690	10.7
149.09619	16.1
151.07613	2.4
151.11186	76.0
153.09116	2.8
153.12624	2.3
155.08482	1.9
157.10132	5.6
159.08025	4.6
159.11694	5.9
161.09613	13.0
161.13269	5.1
163.11176	6.7
165.09085	4.3
165.12738	2.8
167.08681	1.6
167.10670	3.8
169.10117	2.8
171.08195	1.6
171.11705	8.6
173.09560	3.7
175.11139	9.9
177.09175	12.1
177.12653	2.0
179.10686	13.7
179.14197	1.8
181.08562	3.6
181.12228	2.5
183.13800	28.6
185.13234	3.9
187.11165	2.4
189.12750	5.9
191.10522	1.9
199.11174	2.5
201.12544	1.8
203.14241	4.7
205.12283	2.2
207.13748	3.5
213.12692	2.7
213.16295	1.8
217.12215	4.4
217.19461	1.6
223.13248	5.0
227.17938	5.3
229.14313	5.7
231.13734	2.3
235.13216	2.7
237.16472	2.4
245.19003	21.8
255.17471	7.6
257.62683	1.7
263.20074	23.5
273.18491	50.5
277.21558	2.8
291.19543	100.0
305.21069	19.8
323.22159	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01868	3.5
55.05510	18.8
57.03423	0.9
59.04989	0.9
65.03924	0.6
67.05504	12.1
69.03423	5.0
69.07068	13.1
69.38273	1.5
69.38702	2.0
71.04987	1.0
79.05075	0.7
79.05492	11.0
81.02140	0.4
81.03420	2.3
81.06597	0.6
81.07055	10.1
83.04965	1.6
83.08152	0.5
83.08619	9.2
91.05476	7.9
93.07046	10.4
95.04957	4.9
95.08045	0.7
95.08608	5.4
97.02898	2.4
97.06505	2.1
97.10168	15.2
105.04518	0.4
105.07034	7.6
107.04977	3.2
107.08593	9.8
109.06519	1.1
109.10159	2.7
111.08070	1.4
117.06995	3.1
119.04912	1.3
119.08574	6.8
121.06484	1.9
121.10160	2.3
122.58871	0.5
123.08086	3.2
123.11678	0.6
125.09634	13.7
129.06990	2.0
130.07825	0.5
131.08572	4.2
133.06509	2.5
133.10094	2.3
134.07257	0.6
135.08031	3.7
135.11676	0.6
137.09607	1.9
138.76341	0.4
143.08528	1.4
145.06474	0.8
145.10112	3.5
147.08044	3.6
147.11665	1.6
149.09612	1.2
153.09126	2.9
157.10094	1.4
157.12201	1.0
159.11642	1.0
161.09613	1.8
163.11183	1.1
165.09128	1.1
169.10129	0.5
171.11696	1.1
173.13165	0.6
175.11220	1.2
189.11183	0.6
199.11079	0.7
203.12782	7.2
205.12218	0.8
221.11819	0.7
221.15492	0.5
223.13289	9.8
227.17964	0.6
235.13353	0.5
237.14862	1.8
245.19016	1.0
245.44057	0.5
249.14882	1.2
255.17387	1.0
263.20374	0.6
273.18484	7.3
291.19537	100.0
292.19775	0.6
305.21091	18.5
323.22253	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	323.2215
Annotation	Decahydro-alpha,4a-dimethyl-8-methylene-7-(2-methyl-1-oxopropoxy)-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
55.01859	3.8
55.05492	4.4
57.03439	29.1
58.88299	0.9
62.80825	0.9
65.03905	1.3
67.05503	23.6
69.03414	1.1
69.07069	2.0
69.97818	4.3
71.04985	3.5
79.05486	9.1
81.07059	8.4
83.04995	1.0
85.06545	29.2
91.05479	8.0
93.07041	8.0
95.04966	37.8
95.08588	3.3
105.07005	6.0
107.04916	3.3
107.08593	6.3
109.06519	25.6
109.10175	1.2
113.06004	100.0
114.06396	1.1
114.14851	0.9
115.05491	0.9
117.07014	3.9
119.08568	2.9
121.06460	1.8
121.10138	2.0
123.01873	0.9
123.08091	1.1
128.18176	0.9
129.06990	2.7
131.08560	6.3
133.10146	2.7
135.08051	24.9
135.11673	1.9
143.08542	3.2
143.74362	1.2
144.09142	1.0
145.10100	4.4
147.08022	1.4
147.11748	1.4
149.09616	3.3
157.10071	2.8
159.08121	1.0
159.11661	1.9
161.09608	2.8
161.13193	1.1
163.11208	1.7
171.11694	1.4
173.13258	1.5
177.12672	1.0
185.13416	1.1
185.18715	1.0
199.14807	2.2
217.15901	8.0
233.15390	1.3
238.09312	1.0
245.18736	1.1
255.17535	1.8
273.18472	13.8
291.19543	38.5
305.21069	5.0
333.30771	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63626	2.0
53.03942	4.1
55.01865	9.1
55.05516	26.4
57.03429	5.8
65.03939	2.1
67.05508	62.9
69.03429	4.3
69.07068	18.3
69.84161	5.5
69.84558	4.5
70.78667	2.2
71.05012	3.3
73.06544	2.9
76.20914	2.2
79.05064	3.0
79.05495	40.2
81.03404	3.4
81.07059	81.9
83.01351	3.9
83.04984	24.5
83.08620	11.7
85.06548	5.3
85.24237	1.9
91.05483	49.0
93.07048	43.8
93.07618	2.4
95.04980	16.2
95.08600	25.2
97.06525	6.5
97.10165	6.3
99.08056	2.4
99.20842	1.9
105.07042	47.0
107.04949	13.2
107.08599	48.5
109.06505	9.2
109.10162	53.9
111.04454	5.0
111.08073	10.0
117.07027	10.5
119.08596	15.9
121.06523	13.6
121.10149	12.9
123.04385	2.5
123.08090	4.9
123.11716	16.0
125.05939	3.1
129.07008	7.1
131.08577	21.1
133.06502	17.7
133.10130	100.0
135.08029	8.4
135.11711	10.1
137.06018	2.3
137.09607	5.7
139.07538	7.0
141.09105	2.5
143.08574	6.7
145.10095	11.2
147.08076	12.6
147.11685	8.4
149.09624	15.5
151.09959	4.8
151.11189	94.3
157.10143	4.7
159.08070	5.9
159.11720	5.8
161.09624	13.4
161.13268	3.1
163.11182	7.1
165.09120	3.3
165.12772	3.8
171.11682	6.0
172.60158	2.1
173.09648	4.3
173.13217	2.6
175.11183	7.3
177.09128	19.3
177.37804	2.0
179.10667	16.4
181.08652	2.2
181.12195	2.7
183.13812	39.1
185.13261	3.1
189.12737	5.8
191.10591	3.1
193.12292	2.9
203.14407	3.5
211.13211	4.5
213.12735	2.6
227.17993	5.4
229.14363	5.7
245.19014	12.8
255.17381	5.6
263.20148	14.4
273.18481	46.4
291.19562	60.6
305.21164	30.6
323.22134	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01871	4.5
55.05267	1.6
55.05516	23.7
57.03432	2.1
65.03950	1.1
67.05507	13.6
69.03432	4.4
69.07069	15.7
70.07397	3.5
71.05007	1.6
79.05495	16.0
81.03426	4.0
81.07066	14.7
83.04990	2.4
83.08629	9.9
91.05472	8.9
93.07032	9.0
95.04956	7.1
95.08600	6.9
97.02901	1.8
97.06532	2.2
97.10168	18.2
105.07025	6.1
107.04974	3.9
107.08601	10.5
109.10168	3.0
117.07014	3.4
118.40567	1.1
119.08582	7.3
121.06490	2.0
121.10150	2.7
123.08076	7.6
123.11787	1.6
125.09620	18.4
129.07005	2.0
131.08568	3.8
133.06444	2.7
133.10156	2.5
135.08049	4.5
135.11731	1.4
143.08586	2.6
145.10146	4.3
147.08057	3.9
147.11700	3.0
150.48283	1.0
153.09128	3.0
155.08493	1.7
157.10107	1.2
157.12262	1.9
159.11684	1.3
161.09636	1.9
163.11215	1.5
165.09142	3.1
171.10136	1.3
175.11208	1.3
193.12245	1.9
203.12840	12.2
217.15817	1.1
223.13316	12.0
224.26563	1.0
237.14763	2.0
245.19019	1.3
249.14888	2.2
272.94864	1.1
273.18494	13.5
291.19547	100.0
305.21143	18.2
323.22229	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.8
55.01868	10.1
55.05513	15.2
57.03438	18.1
57.07088	2.5
65.03922	6.2
67.05508	71.3
69.03412	4.4
69.07066	12.0
69.82038	9.7
71.04969	3.7
71.08121	2.3
79.05484	28.3
81.03400	6.2
81.07059	44.7
83.04977	8.6
83.08610	6.5
85.06528	15.3
91.05486	28.5
93.07051	32.1
95.04973	100.0
95.08616	20.2
97.06528	7.2
105.07028	24.8
107.04956	16.2
107.08592	21.1
109.06522	41.4
109.10128	3.3
111.08034	5.3
113.06010	31.1
114.31496	2.2
117.07009	14.2
119.08598	16.5
121.06483	13.1
121.10146	11.3
123.08036	5.0
128.06236	2.3
129.07050	4.5
131.08589	18.5
133.06477	7.0
133.10149	11.7
135.08047	28.8
135.11690	8.9
137.05954	2.6
139.07520	2.6
141.09079	2.4
143.08539	11.8
145.10153	14.7
147.08038	7.5
147.11667	5.0
149.09615	10.1
149.13300	5.2
157.10135	7.0
159.11668	8.4
161.09648	9.6
163.11255	4.1
169.10150	4.9
171.11691	3.1
173.13234	3.4
175.11359	2.4
177.12685	4.4
187.11134	4.2
189.12743	2.3
199.89087	2.5
217.15892	6.7
227.17950	4.7
245.19002	4.0
255.17525	5.0
273.18469	39.2
291.19531	27.7
305.21063	22.7
314.67313	2.5
323.22006	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.1
53.48711	3.9
55.01851	10.1
55.05512	35.0
57.03440	76.7
57.07050	4.7
63.96027	3.4
64.31017	3.8
67.05507	100.0
69.03407	11.8
69.07064	29.3
70.80428	8.0
70.80764	7.5
71.04993	27.4
79.05498	72.3
81.03401	13.9
81.06583	6.0
81.07055	89.8
81.50135	3.2
83.04967	15.2
83.08598	12.9
85.06538	13.2
91.05480	73.0
93.07040	90.0
95.04971	27.2
95.08612	84.5
97.06514	16.0
97.10146	5.5
99.08080	18.1
104.36343	3.6
105.07027	71.2
107.04967	21.2
107.08601	55.3
109.06524	18.0
109.10150	39.1
111.08069	11.3
113.05979	10.8
117.07019	29.9
119.08578	41.3
121.06489	13.8
121.10139	26.6
121.33931	4.4
123.08062	15.9
123.11672	11.4
125.09605	6.8
127.07560	5.6
129.06987	15.1
131.08560	39.9
133.06508	9.9
133.10124	68.4
135.08084	27.2
135.11626	17.5
137.09604	11.9
139.07567	5.6
141.06895	3.3
143.08545	16.9
145.06572	3.6
145.10106	32.5
147.08066	18.1
147.11699	10.2
149.09653	20.4
149.13217	8.8
151.11200	44.5
155.08582	4.7
157.10139	24.5
159.11684	21.9
161.09656	17.9
161.13210	8.9
161.53384	4.2
163.11176	4.9
169.10149	4.4
169.12251	3.7
171.11664	15.8
173.09532	6.4
173.13248	8.7
175.11197	12.6
177.12773	9.1
179.10643	9.2
183.11649	6.0
183.13780	12.1
185.13310	4.6
187.11218	6.4
189.12682	5.6
195.13705	3.5
199.11166	4.5
199.14822	9.0
201.12799	9.4
209.13448	4.5
217.15845	33.6
219.13846	7.8
221.15410	11.4
227.17940	12.8
233.15315	11.1
235.16858	8.8
237.16521	5.2
245.18990	8.8
247.16840	5.5
255.17418	12.7
263.20026	6.2
265.17950	5.2
273.18512	81.3
277.21710	6.2
291.19580	46.8
296.57660	3.4
305.21039	33.9
321.68207	3.7
323.22098	34.5
323.27719	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01870	16.3
55.05512	28.4
57.03436	8.8
57.07079	3.2
59.94678	2.9
61.49968	2.6
67.05173	5.0
67.05503	59.0
69.03433	5.6
69.07064	22.6
70.07532	11.6
71.04983	3.0
79.05493	47.8
80.50665	2.6
81.03423	3.8
81.07060	100.0
83.04991	19.8
83.08630	13.4
85.06550	9.4
89.68932	3.0
91.05487	52.9
93.07049	58.5
95.04974	12.0
95.08612	34.2
97.06522	11.2
97.10174	6.9
98.21445	3.5
98.31902	2.3
99.08139	5.0
105.07027	45.7
107.04968	15.6
107.08596	49.7
109.06512	9.0
109.10158	52.7
109.44204	2.8
111.04443	8.0
111.08072	11.6
113.06015	3.9
117.07018	9.6
119.08589	18.3
119.79709	2.7
121.06502	12.2
121.10146	12.9
123.08106	7.1
123.11737	15.1
125.05997	3.9
125.09603	5.2
129.07048	3.8
131.04922	3.3
131.08559	18.1
133.06500	15.1
133.10141	84.6
135.08055	11.2
135.11693	8.0
137.09682	6.2
138.47623	2.8
139.07553	6.5
142.07806	3.4
143.08557	8.0
145.10139	14.6
147.08051	12.0
147.11678	4.5
149.09639	17.0
149.13188	3.0
151.11180	74.8
157.10164	7.8
159.08081	5.8
159.11687	5.8
161.09616	11.4
163.11154	5.6
171.11705	7.7
175.11177	6.2
177.09099	21.0
177.12766	3.2
179.10622	8.1
181.12239	3.5
183.13814	30.3
185.13260	2.7
189.12679	5.2
193.12408	4.2
203.14268	5.6
217.12343	3.9
223.13382	3.7
229.14374	4.3
245.19016	12.6
255.17418	6.5
263.20074	13.7
273.18521	48.8
279.62402	2.9
291.19559	64.4
305.21060	30.7
323.22229	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1636
Annotation	Lonchocarpene
Peak:m/z	Relative Intensity
55.05505	0.5
56.96566	0.4
57.03440	0.5
61.02914	0.6
66.16362	0.2
67.05511	0.7
69.03426	1.8
70.06586	0.3
70.67095	0.7
71.05014	0.3
73.02921	0.4
73.24382	0.2
79.05513	0.6
81.03429	0.8
81.07056	0.4
83.08627	0.5
84.08147	100.0
85.02905	3.3
86.03230	0.5
86.09719	0.4
87.04465	0.3
91.03946	0.5
91.05493	0.7
93.07074	0.3
95.04996	0.4
97.02889	1.2
98.97583	1.0
99.04492	0.2
104.17996	0.2
105.07061	0.3
107.05011	0.3
107.08614	0.6
116.98621	0.4
119.04960	0.5
120.05741	0.4
125.09634	0.4
127.03947	0.7
129.58978	0.2
133.06531	0.5
136.07556	0.3
137.05983	0.8
145.04974	0.7
146.05293	0.2
147.04411	0.9
149.06076	0.3
161.02133	1.0
161.07109	0.5
162.05484	1.8
164.07405	24.9
166.05293	0.3
166.55324	0.3
169.06335	0.3
185.04245	1.7
187.06783	0.5
200.56310	0.5
201.06451	0.9
203.05339	0.3
217.09679	0.3
219.40933	0.2
219.43507	0.2
224.06706	0.7
233.07355	0.7
237.21535	0.2
241.08521	0.5
241.58588	1.7
242.08379	0.3
263.10342	0.4
291.19559	1.3
293.17609	0.3
305.11731	0.5
313.60764	0.3
314.10571	0.3
319.10754	0.4
322.61154	3.0
323.07260	2.3
323.12161	1.5
323.16324	27.0
324.16132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94079	1.4
53.84874	1.3
55.01867	3.0
56.96569	3.1
57.03449	2.6
61.02925	4.8
67.05505	2.0
69.03438	12.4
69.48012	9.3
70.06595	3.0
72.08163	2.0
73.02930	2.8
79.05512	1.8
81.03430	6.2
84.08151	11.3
85.02908	27.8
86.09722	2.3
87.04478	2.5
88.10904	1.3
91.03979	1.8
91.05492	4.1
93.07074	1.5
97.02889	9.1
98.06105	2.0
98.97581	7.4
105.07048	2.7
107.04988	4.0
109.02886	2.4
110.97565	2.1
116.98650	1.7
119.04975	5.6
127.03918	5.5
127.07589	1.9
131.04926	2.7
131.08600	1.5
133.02899	2.8
133.06473	3.2
135.04453	2.1
137.06032	5.8
138.06352	3.2
143.01122	1.5
145.05003	3.5
147.04416	17.1
149.05914	1.9
158.99698	2.3
161.02104	38.0
161.06021	4.2
162.05487	9.2
164.07413	2.8
177.00662	2.0
179.03439	3.1
181.03500	2.2
185.04224	65.4
189.05437	7.3
197.02975	3.1
203.05292	21.1
203.08211	2.0
209.45227	1.4
217.04919	8.2
219.01727	2.1
237.02754	2.7
239.04131	2.8
245.09450	1.7
251.04070	2.1
263.05652	9.1
263.10507	4.6
281.48953	1.7
291.10043	2.0
305.11743	1.7
323.07446	100.0
323.11542	11.3
323.16159	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
56.96301	2.3
56.96563	33.9
57.03424	1.9
61.02912	2.3
65.89778	1.0
66.56380	1.0
67.12292	1.0
69.03423	4.2
70.98123	12.7
71.06477	2.9
73.02902	3.0
74.97586	1.8
84.08103	1.4
84.96025	3.3
85.02898	10.8
85.78440	1.0
86.97591	1.6
88.99148	3.3
97.02906	5.4
98.97587	100.0
101.00880	3.2
102.96861	1.5
103.00638	3.9
109.80453	1.0
110.97542	7.1
112.99137	1.9
113.00862	1.7
114.97045	1.9
116.98624	42.3
117.02166	1.3
119.01912	3.0
121.01678	7.5
122.07153	13.0
124.95519	2.0
124.99067	1.8
126.97044	1.2
127.03907	3.4
128.98605	8.6
131.00148	2.8
131.01830	1.6
132.98068	3.5
133.01660	3.4
133.03465	1.5
134.99663	9.7
135.03221	3.3
137.05998	2.3
140.98598	4.1
142.96507	2.3
143.00134	3.0
143.01903	4.1
144.04828	6.5
144.98064	2.6
145.03540	1.1
145.04932	2.6
145.11826	1.2
146.91820	3.6
146.99632	5.6
149.01224	2.9
150.99095	3.4
154.93263	1.8
154.96524	3.9
155.01892	2.6
157.03445	1.3
158.99640	7.6
159.03256	2.0
161.01222	1.6
161.02959	2.9
161.04720	2.0
162.99216	1.6
163.02722	2.4
170.95955	3.4
170.99603	1.8
172.94327	4.4
172.97603	11.3
173.01173	3.2
173.02792	1.3
173.04730	2.6
174.99139	4.7
175.02759	1.9
175.04373	1.4
177.00720	4.9
179.02252	1.5
180.07701	13.1
184.97615	3.9
188.97017	5.8
189.00696	6.5
190.95424	2.1
190.98663	10.0
191.02216	2.6
191.05869	1.2
193.00220	8.0
193.03760	1.4
198.97485	1.2
201.00694	3.7
202.98625	5.2
203.02293	3.0
203.04018	1.9
205.00313	1.2
205.05386	1.8
206.98167	2.1
207.01743	3.4
214.95392	2.0
214.98613	4.6
217.00227	5.2
219.01767	7.6
220.06963	6.4
220.99774	5.6
221.03171	1.7
221.05138	1.8
230.98123	5.9
231.01770	2.4
232.96497	5.3
232.99646	4.7
235.01158	2.0
235.04880	2.5
237.02785	8.9
239.00826	1.7
240.98657	3.7
244.99849	5.5
245.05046	2.2
249.02737	5.7
256.96521	1.4
258.99780	43.9
263.00766	14.0
263.04089	2.2
274.97577	4.3
276.93066	1.3
277.00824	41.5
281.01801	17.9
281.05396	8.1
281.09183	3.1
282.01260	1.8
291.03983	2.1
291.19504	1.6
292.98587	1.6
299.02841	3.2
299.94739	1.5
300.02240	3.4
305.01913	7.4
305.05133	1.7
322.91809	2.2
323.02713	4.2
323.06512	6.9
323.11963	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	323.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
56.96565	37.2
57.03427	2.6
61.02927	1.3
69.03430	5.1
69.93587	2.5
70.98124	15.4
71.95248	2.7
72.96024	1.5
73.02911	1.9
74.97591	2.2
78.46784	0.9
78.94405	0.7
81.03426	1.2
82.99866	0.7
84.96029	5.3
85.02906	9.3
86.97604	2.4
88.99149	4.5
97.02879	4.4
97.96829	0.9
98.20789	1.0
98.97585	100.0
100.99149	2.4
101.00889	5.1
102.96938	1.1
103.00654	7.3
107.00169	0.8
109.02879	1.6
110.97564	14.4
112.99143	5.9
113.00891	1.1
114.97071	5.9
115.00649	5.5
115.02419	4.9
116.02531	0.7
116.98625	33.0
117.02182	3.6
119.00182	2.0
119.01929	4.9
119.03732	1.5
120.02056	0.9
121.01665	9.9
122.07146	6.1
124.02870	0.9
124.95482	6.0
124.99120	1.4
126.97037	1.5
127.03906	3.5
128.98610	14.8
130.93283	1.4
131.00194	3.9
131.01904	3.5
131.03551	0.9
132.02003	1.0
132.98102	8.6
133.01697	6.8
133.03476	11.2
134.99670	7.7
135.03177	5.7
137.04739	1.6
139.00580	1.1
139.02580	0.8
140.98584	4.3
142.96535	3.6
143.00191	5.2
143.01895	1.4
143.03784	0.9
144.04724	2.6
144.98087	3.0
145.01649	5.9
145.03490	2.7
145.04988	2.7
146.91794	2.2
146.99646	10.2
147.03212	3.3
149.01175	2.0
149.02962	1.9
150.99133	6.4
151.02628	1.3
151.04535	1.0
152.05006	1.3
152.94991	3.4
152.98578	3.4
154.93262	3.1
155.01904	1.3
156.98103	2.8
157.01636	8.9
158.99666	13.4
159.03186	2.5
159.05106	1.5
160.97542	1.4
161.01215	6.4
161.03107	1.3
161.04680	6.9
162.99146	1.8
163.02780	5.1
163.04498	10.0
165.00687	4.4
169.00230	1.3
170.96056	10.1
170.99664	7.7
171.05006	1.4
172.94366	3.5
172.97598	2.8
173.01273	2.5
173.02956	7.9
173.04785	7.9
174.99199	7.8
175.02669	5.2
175.06319	1.4
176.93796	1.0
177.00725	8.6
177.04224	1.1
177.06058	1.0
179.02272	1.7
179.05785	2.0
180.07658	3.1
181.05589	1.1
182.99715	1.0
184.97552	4.8
185.01260	1.0
187.00751	0.9
187.02766	2.0
188.55627	0.9
188.97072	13.9
189.00696	12.1
190.95396	1.8
190.98631	2.2
191.02228	3.8
191.04048	6.3
191.05862	3.3
193.00226	15.9
193.03793	1.5
201.00694	6.5
202.98643	11.2
203.02228	2.7
203.04002	8.8
203.05899	2.2
205.00212	1.7
205.03741	5.5
206.98216	5.0
207.01772	4.6
211.01212	2.4
212.97112	3.6
214.95412	3.6
215.05864	1.7
216.96877	1.1
217.00258	6.3
218.94789	1.0
219.01755	22.5
220.02116	1.1
220.99687	12.4
221.03270	1.6
221.05040	7.8
221.06914	1.5
223.04813	10.2
230.98138	14.8
231.01767	2.5
232.96408	4.2
232.99759	1.9
233.05145	1.3
233.07188	1.6
235.01276	3.6
235.04900	1.8
237.02827	21.2
239.00676	3.2
242.08324	0.9
244.99738	12.5
245.04996	1.0
247.04825	0.9
248.99129	6.3
249.02705	6.5
250.97528	1.4
251.04410	1.6
255.04001	1.3
256.96393	1.4
258.99841	5.9
263.00735	24.1
263.04352	12.2
263.08072	13.8
274.97556	4.7
277.00735	5.5
280.09399	1.1
281.01843	15.5
281.05420	39.8
281.09091	19.7
286.02420	1.2
286.97226	1.1
292.98654	1.2
295.07065	1.0
299.02878	2.9
303.09341	1.2
304.98419	2.4
305.01758	3.0
305.05457	2.1
305.10956	1.2
321.10162	1.4
323.03055	1.3
323.06378	20.3
323.10205	23.1
323.15460	1.1
323.19632	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2377
Annotation	Vanessine
Peak:m/z	Relative Intensity
53.03941	3.0
55.01861	1.3
55.05512	12.8
56.05032	1.5
57.07085	1.6
65.03912	1.1
67.05508	13.1
68.05026	1.0
69.07065	7.3
71.20921	1.2
71.21261	1.1
72.04520	8.2
74.06091	1.1
79.05502	19.6
80.05026	7.3
81.07060	15.8
82.06581	2.8
82.12970	0.8
83.04955	0.9
83.08610	3.9
84.08119	1.2
90.61211	0.8
91.05480	9.2
92.04974	0.8
93.05774	3.3
93.07044	16.0
94.06556	4.8
95.04972	2.0
95.07358	1.8
95.08602	7.2
96.04523	2.3
96.08096	1.1
97.06520	1.7
97.10156	1.8
98.06038	1.1
98.09690	0.8
105.07062	6.5
105.07709	1.3
106.06567	3.9
107.07365	1.5
107.08589	5.8
108.04468	1.0
108.08121	7.3
109.06520	1.7
109.10161	1.7
110.06010	1.8
110.09650	1.2
111.08156	1.0
112.07625	0.9
114.09184	0.9
117.07017	1.6
118.06554	1.8
119.08583	2.7
120.08169	4.4
120.08846	0.8
121.06507	0.9
121.08855	1.4
121.10151	3.5
122.09669	3.1
123.08089	1.3
123.11698	1.1
124.07581	10.2
124.11198	1.3
125.09695	1.0
126.09155	1.7
128.10727	0.9
131.08553	2.4
132.08069	2.8
133.09038	0.8
133.10152	2.6
134.09642	3.6
135.10402	1.1
136.11267	1.1
145.10147	1.4
146.09633	1.0
147.11702	1.1
148.11214	4.0
160.11198	1.2
162.12762	3.1
163.13504	1.5
174.12891	1.2
176.14334	3.7
204.13797	1.2
220.13428	1.0
232.21111	0.9
254.17546	1.7
258.15109	0.9
262.17953	1.3
272.20145	1.6
276.19540	2.3
290.21085	10.9
291.19656	0.9
304.22717	2.7
318.81110	1.0
322.23773	100.0
322.30914	11.4
323.24164	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2013
Annotation	Croomine
Peak:m/z	Relative Intensity
53.03945	1.5
55.01858	3.3
55.05511	1.2
57.03445	5.7
61.02917	2.3
65.72324	0.8
67.05497	2.9
68.40732	0.8
69.03409	2.3
69.07069	23.5
70.98944	1.7
71.04992	2.0
73.23547	0.9
79.05494	10.8
81.07040	3.9
85.06544	1.2
90.37199	0.9
91.05494	4.6
91.05991	1.0
95.04955	1.2
97.06532	58.0
105.07030	2.5
109.10168	1.1
111.08094	2.9
115.05469	1.7
116.10690	1.5
117.07002	1.6
118.34829	1.1
119.08585	2.4
121.06544	1.6
123.04427	1.0
129.06992	3.0
129.09116	7.7
131.04887	1.2
131.08577	16.6
132.04471	1.0
133.05193	1.9
137.05981	5.7
141.06987	1.9
143.08531	1.3
144.05688	1.4
145.06474	9.2
145.10103	3.3
146.05977	3.0
146.09685	1.5
147.06857	1.4
147.08037	4.8
149.05971	1.7
149.09546	1.0
155.05205	0.9
155.08548	1.3
157.06496	1.4
158.07349	1.5
159.08057	29.4
160.07559	1.2
161.09570	1.0
163.07542	1.5
165.09099	1.4
169.07690	1.2
171.08081	1.0
172.98312	0.9
173.09630	24.4
173.13234	2.3
174.09163	4.3
175.07568	12.6
175.09848	2.1
176.10684	1.6
177.09116	49.9
183.11827	1.1
184.07388	1.3
187.07556	6.7
188.10571	1.3
189.09062	2.2
190.12321	1.4
192.10201	3.6
194.68359	1.0
199.11179	2.0
200.08415	1.3
201.12755	5.3
204.10222	14.6
217.12236	7.4
228.13870	2.4
229.12245	18.4
233.11763	1.8
243.13704	1.1
246.14897	71.5
255.13699	1.6
273.14893	15.1
275.16467	5.2
287.16522	2.3
290.17447	14.2
292.60593	1.0
304.19061	67.9
305.17389	15.3
307.49994	0.9
322.20108	100.0
323.20389	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69841	0.4
55.05488	0.6
56.96566	51.8
56.96838	1.8
58.77769	0.4
67.05483	0.9
69.83837	2.5
70.98124	40.5
71.95251	1.3
72.96025	0.9
74.97614	1.5
79.05477	0.7
81.07007	0.9
82.78970	0.5
84.96027	0.9
88.99171	7.2
91.05457	1.1
91.45129	0.4
93.07024	0.8
97.10142	0.9
97.99182	0.8
105.00138	1.1
105.06995	0.5
107.00215	1.0
107.08607	0.6
111.08019	0.5
115.00671	2.1
123.01183	1.5
125.09635	0.6
127.00660	1.4
129.02229	0.9
137.02757	1.2
139.00641	2.0
141.02246	4.7
145.01657	1.2
147.03230	1.1
151.00647	1.5
151.04300	0.5
153.02231	3.6
155.00275	0.5
155.03790	5.9
157.01750	0.7
159.02238	0.5
159.03310	4.8
161.04926	0.6
165.05818	0.5
167.03839	2.7
169.01692	1.9
169.05362	7.0
171.03310	4.4
173.04874	12.6
183.03317	1.1
185.04845	3.6
187.02748	1.1
187.06430	14.5
189.04369	0.5
191.05907	2.8
193.05367	1.2
194.04941	0.6
195.06955	1.3
196.06422	1.5
197.04817	0.8
201.04320	1.0
201.07982	2.7
203.05904	1.1
205.07446	3.1
205.09081	0.8
209.08510	0.5
210.07930	1.7
211.06371	1.5
213.07915	1.5
219.06949	1.0
219.09004	0.9
221.08496	3.7
223.10063	32.2
225.07985	1.1
225.11658	2.5
227.09590	0.6
229.07516	1.2
237.07965	1.8
239.09518	4.0
241.11122	22.4
243.08987	0.5
243.12692	1.0
251.05821	0.5
253.07582	1.1
253.11028	0.7
255.09013	2.8
255.12656	3.3
257.10818	0.5
259.12213	1.9
262.11078	0.6
264.12738	4.4
266.14249	0.6
267.09094	2.3
269.10675	3.1
273.10089	2.2
273.13733	0.9
281.10550	15.8
285.10168	1.3
287.11697	2.3
290.18326	1.5
299.11670	100.0
300.12082	0.7
316.45987	0.5
317.12717	41.2
322.13278	15.3
322.27353	2.0
323.13416	0.5
340.14261	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	321.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.05505	11.6
57.07072	2.6
65.03927	3.2
66.59946	1.1
67.05506	92.9
69.07066	10.7
70.61378	3.9
73.68298	1.3
76.36576	1.1
79.05495	14.0
81.07058	100.0
83.04985	2.6
83.08640	9.2
85.06539	2.3
91.05496	4.7
93.07059	13.8
93.49335	1.1
95.04955	1.7
95.08608	91.2
97.06539	2.0
97.10150	3.1
105.07021	6.3
107.08614	7.4
107.09209	1.1
109.06493	1.9
109.10157	39.1
111.08057	1.5
111.11689	2.4
115.77208	1.1
117.07064	1.9
119.08583	4.4
121.10178	8.9
123.08096	1.4
123.11706	18.8
125.09636	1.6
131.08592	4.5
133.10129	3.2
135.11681	6.8
137.09624	3.1
137.13257	10.9
145.10124	3.2
147.11687	1.8
149.13251	3.2
151.11163	1.7
151.14822	4.5
154.18898	1.2
159.11740	2.7
161.13326	1.6
163.11227	1.4
163.14769	1.4
165.12807	1.2
173.13319	3.2
175.14807	2.1
177.12816	2.3
179.14348	1.3
187.14771	3.1
189.16426	2.9
191.14420	1.2
193.15929	1.3
201.16434	2.6
205.15887	1.8
207.17548	1.2
216.52818	1.3
251.20088	1.5
260.85983	1.5
271.24155	2.5
289.18002	2.3
289.25275	7.5
313.45657	1.2
321.24350	2.2
321.27808	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	321.2423
Annotation	Vittadinal
Peak:m/z	Relative Intensity
53.03937	3.6
55.01852	3.2
55.05519	23.4
56.96554	3.5
57.03422	5.4
59.04987	6.0
65.03947	2.4
67.05505	74.0
69.03401	7.1
69.07075	24.3
70.05361	8.4
71.04998	30.6
71.08617	2.3
73.06532	4.1
79.05497	45.4
81.06647	3.8
81.07054	36.0
83.04970	6.0
83.08604	9.3
85.06521	9.5
91.05482	64.4
93.07039	43.8
95.04990	12.4
95.08602	45.5
97.06509	7.8
97.10142	7.4
99.07487	4.3
99.08098	69.9
103.05436	3.9
105.07030	57.4
107.04950	3.4
107.08596	26.2
109.06538	21.2
109.10156	32.9
109.51410	2.5
111.08060	6.1
116.13929	2.4
117.07020	13.2
119.07787	4.4
119.08578	50.5
120.07187	2.8
121.06491	7.8
121.10171	16.5
123.08022	8.0
123.11669	2.8
125.09623	4.3
129.06967	4.5
131.08598	13.7
133.10129	25.6
135.08044	8.0
135.11705	6.1
137.09608	40.7
139.11209	3.0
141.06992	3.2
145.10124	17.3
147.11678	20.2
149.09589	4.7
149.13274	4.0
151.11220	4.8
155.08533	3.1
157.10201	5.7
159.11636	8.2
161.09697	2.9
161.13255	12.0
163.07614	3.6
163.11188	8.3
165.12769	13.3
169.10152	4.1
169.12207	10.2
173.09695	4.0
173.13248	7.6
175.11095	2.7
177.12654	3.3
183.11736	3.5
193.63484	3.0
197.13271	3.9
201.14838	7.9
233.15428	3.8
237.12117	2.8
239.17952	3.9
243.17328	3.5
257.19028	3.9
261.18814	2.7
271.16870	3.2
275.20197	3.4
289.17944	18.2
289.21512	31.3
321.20590	8.1
321.24176	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65481	3.0
52.48581	2.9
53.03941	8.1
55.01030	3.0
55.01861	6.6
55.05510	53.3
55.38758	2.8
57.03434	30.8
67.05504	35.8
69.03423	4.7
69.07053	11.1
69.94829	16.3
79.05490	32.4
81.03426	3.6
81.07054	42.3
83.04490	4.9
83.04983	98.4
83.08605	18.7
85.06528	7.8
91.05476	37.7
93.03429	3.7
93.07048	32.8
95.04941	8.8
95.08608	34.8
97.02879	4.7
97.06560	6.4
97.10168	4.0
99.04422	5.2
105.07034	33.7
107.04968	23.6
107.08580	22.8
109.02857	4.9
109.06498	8.4
109.10178	6.0
111.04441	100.0
111.08055	10.1
117.03854	3.4
117.07013	13.2
119.08578	27.6
121.06476	8.3
121.10155	11.3
123.04387	4.3
123.08050	8.5
123.11724	4.2
125.05984	8.5
125.09632	6.0
129.07013	6.9
129.83534	3.8
131.08549	21.4
133.06490	8.3
133.10133	13.6
135.08035	17.0
135.11681	7.9
137.05959	6.7
139.07536	4.6
143.08467	3.5
145.06447	8.6
145.10117	13.7
147.08035	11.9
147.11685	8.3
149.09622	16.0
149.13266	4.2
151.07588	5.2
155.08524	6.1
157.10130	6.0
159.08032	16.2
159.11681	10.2
161.09612	13.4
163.07581	8.5
163.11185	14.2
165.09138	9.9
169.10112	8.2
171.11736	9.7
173.09567	7.6
175.11124	4.4
177.09106	7.4
177.12683	24.0
187.11206	8.1
187.14790	5.9
189.11247	4.9
189.12782	5.1
203.12715	6.4
205.12280	4.9
205.15866	11.7
215.14384	4.0
224.87810	2.9
225.16248	5.7
233.11670	8.0
233.15353	25.2
243.17494	13.4
253.16013	8.3
261.18524	32.1
271.16895	37.6
275.20090	3.6
289.17978	71.8
303.19510	29.3
321.20721	22.8
334.17929	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	321.206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62057	1.1
53.03934	3.2
55.01873	5.4
55.05510	28.8
55.87698	1.0
56.96548	1.2
57.03436	17.0
64.95258	1.0
67.05505	21.2
68.13232	0.9
69.03407	2.8
69.07066	8.8
71.04978	1.4
79.05489	27.4
81.03401	4.5
81.06596	1.2
81.07053	17.5
83.04978	19.4
83.08617	11.3
85.06538	1.6
91.05474	18.7
93.07046	17.3
95.04961	6.1
95.05480	1.1
95.08602	10.2
96.94840	1.0
97.06516	4.5
97.10163	19.8
99.04468	2.6
105.07034	13.5
107.04955	9.1
107.08589	20.0
109.06538	5.8
109.10151	6.3
111.04404	2.1
111.08098	3.0
115.05484	1.0
117.07005	9.8
119.04896	1.1
119.08593	14.0
121.02837	1.1
121.06510	5.7
121.10138	4.4
123.04388	2.2
123.08082	3.0
125.05959	2.9
125.08764	1.5
125.09626	22.2
128.06247	1.9
129.07024	4.0
131.04875	1.0
131.08553	8.9
133.06496	3.3
133.10124	8.6
135.08057	14.2
135.11682	3.2
136.98288	1.0
137.05986	2.4
137.09601	5.3
141.06961	1.4
143.08528	3.8
145.06487	3.9
145.10127	6.8
146.07089	1.0
147.08037	4.3
147.11678	4.3
149.05861	1.3
149.09605	4.6
149.13190	1.1
151.07573	5.0
151.11157	2.5
153.09070	5.8
155.08607	1.3
157.10149	2.9
157.12206	1.3
159.08049	20.7
159.11710	2.9
160.08809	2.1
161.09590	4.4
162.24188	1.0
163.07510	6.8
163.11143	2.5
169.10120	2.1
171.10255	1.3
171.11768	2.4
173.09631	5.3
173.13278	1.8
175.11185	2.8
177.09096	4.6
177.12749	1.5
183.11639	1.3
185.09590	1.6
187.11153	1.9
187.14824	1.9
189.12738	1.6
191.10788	1.4
197.13258	1.8
201.12756	1.4
203.12770	9.6
205.12318	1.1
215.14349	3.2
217.12218	2.4
229.92377	1.6
232.53336	1.2
233.15356	7.8
243.17401	3.1
253.15964	2.9
261.18512	6.2
271.16916	19.1
289.17981	100.0
293.03000	1.0
303.19580	2.9
303.23157	9.0
321.20584	15.9
321.24271	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	321.206
Annotation	Ubiquinol
Peak:m/z	Relative Intensity
53.03933	2.4
53.81908	0.9
55.01876	13.8
55.05276	1.2
55.05516	17.8
57.03438	10.1
67.05510	17.4
69.03414	3.2
69.07072	10.7
70.95033	3.2
71.04995	19.7
79.05499	23.2
81.03400	4.9
81.07059	16.4
83.01329	3.7
83.04999	8.0
83.08614	11.1
85.06527	1.3
86.98061	1.0
91.05484	16.4
93.07051	16.7
95.04974	12.7
95.08599	7.4
97.06538	11.8
97.10162	13.2
99.04428	1.8
105.07050	9.8
107.04951	18.3
107.08601	17.7
109.02875	2.3
109.06496	6.0
109.10146	3.1
111.04451	4.6
111.08076	3.5
115.05463	1.6
117.07015	8.5
119.04967	1.1
119.08571	8.9
121.06512	18.0
121.10158	3.9
123.04437	2.6
123.08062	9.4
125.05963	1.6
125.09626	22.2
129.06993	4.3
131.08577	8.0
133.06479	4.2
133.10103	4.2
134.03674	1.5
135.04395	1.3
135.08057	16.6
135.11748	2.0
137.09590	3.2
141.07005	2.3
143.08539	2.0
145.06494	4.1
145.10130	4.2
147.08067	3.3
147.11713	2.0
149.06039	3.6
149.09645	9.1
151.07535	3.2
153.09091	6.3
155.08554	1.9
157.10130	2.4
157.12178	1.7
159.08076	8.8
159.11673	3.3
161.09584	2.9
163.07552	93.6
168.05511	1.3
171.10188	1.3
171.11688	1.8
173.09598	4.2
173.13260	2.0
175.11169	5.8
177.09114	6.4
177.12752	1.3
179.10779	1.4
183.11699	1.4
187.11224	1.7
187.14819	1.3
189.11255	1.2
189.12834	1.3
191.10728	7.8
193.12215	2.0
196.12358	1.1
197.13283	1.9
201.12712	4.1
203.12781	29.2
215.14259	2.5
219.13809	39.2
221.11765	1.1
225.16469	2.1
233.15384	9.5
243.17407	4.9
251.16423	9.2
253.15863	1.6
261.18466	6.7
271.16928	12.0
289.03964	1.3
289.17987	100.0
303.19568	2.8
316.48828	1.1
321.16879	2.4
321.20612	48.4
338.98035	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.206
Annotation	Ubiquinol
Peak:m/z	Relative Intensity
53.03944	3.6
55.01867	4.5
55.05508	10.9
57.03439	38.5
67.05502	18.1
69.03418	6.7
69.07059	5.4
69.36536	3.9
69.36942	14.9
79.05495	24.9
81.07051	23.3
83.04986	9.6
83.08620	3.7
85.06522	1.8
91.05479	18.5
93.07047	17.2
95.04944	5.4
95.08604	13.7
97.06559	4.1
103.05467	2.9
105.07030	22.5
107.04964	4.8
107.08614	11.7
109.06535	3.7
109.10143	4.3
111.04443	6.7
113.06001	2.6
115.05448	2.7
117.07017	7.3
119.04962	1.8
119.08588	10.9
121.02884	2.3
121.06501	5.2
121.10124	7.8
123.04474	1.7
123.08041	2.3
123.11744	2.6
125.06014	3.0
125.08080	1.5
129.06993	3.8
131.08566	12.2
133.06537	9.1
133.10126	8.1
135.08098	8.3
135.11702	3.4
137.05965	3.3
137.09598	4.1
139.07454	2.0
141.06993	2.7
143.08591	3.2
145.06485	9.8
145.10112	7.4
147.08066	7.2
147.11723	3.2
149.05968	3.7
149.09630	5.6
151.07573	17.2
153.09120	3.1
155.08588	3.1
157.10147	2.7
157.57352	1.7
159.08072	6.1
159.11644	3.8
161.09625	3.9
163.07530	15.7
163.11230	3.3
165.09177	4.5
169.10117	3.9
171.11710	5.0
173.09615	4.3
173.13150	2.8
177.09123	2.4
177.12689	1.8
179.06999	2.5
183.11700	2.5
185.13300	2.0
187.11133	2.3
187.14854	6.0
187.72688	2.0
197.13249	4.7
205.15880	5.6
215.14320	9.5
225.16426	2.2
233.15343	35.4
243.17398	12.0
253.15884	4.5
254.86382	2.1
261.18491	8.0
271.16919	29.8
289.17969	100.0
303.19601	2.1
321.20529	34.8
321.23926	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	321.1545
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
53.03927	3.0
55.01867	3.3
55.05502	2.7
56.96561	5.9
57.03434	5.6
59.05010	2.4
61.02932	8.6
67.05495	6.7
69.03432	18.7
70.06586	1.8
70.09027	5.7
70.98110	1.5
71.04989	8.4
73.02918	4.9
73.37248	1.4
79.05469	1.6
81.03422	7.9
81.07056	11.8
83.04999	8.4
85.02905	52.2
85.06541	9.1
87.04456	3.4
91.03964	4.9
95.04997	1.8
95.08605	43.3
97.02893	19.4
97.06523	4.3
98.97596	7.2
99.04453	4.2
99.08099	18.4
101.06019	2.8
109.02852	4.1
110.97540	1.9
111.08090	6.8
111.10025	1.3
111.77606	1.4
113.09645	7.2
116.98624	1.7
123.08067	36.7
127.00713	2.4
127.03901	12.0
128.98630	1.5
129.09096	1.5
132.95897	1.6
137.92947	1.5
141.09105	100.0
145.04959	12.7
146.99805	1.3
158.99669	3.9
159.10175	49.2
177.04257	1.9
180.05431	5.9
185.04836	1.8
189.05948	10.4
198.06490	3.3
201.00764	1.7
219.01727	4.3
237.02716	1.7
240.09450	2.9
294.23141	1.5
321.08981	11.8
321.12469	2.1
321.17844	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	321.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
67.05493	4.2
70.03810	1.2
70.06232	1.1
70.06584	4.5
71.56268	1.3
74.99349	1.1
79.05480	2.9
86.06046	2.0
91.05472	4.5
93.07033	1.6
94.06561	9.7
95.08605	1.4
96.08136	3.4
97.02916	1.8
97.06528	16.4
106.06532	2.1
108.04491	6.0
108.08082	1.9
109.05238	3.0
110.06021	2.6
120.08061	2.1
122.06032	87.4
123.93313	1.2
124.07614	9.1
126.35867	1.0
128.08179	2.5
134.06020	3.7
136.07579	81.1
150.04308	2.6
150.05513	52.2
151.06293	1.8
152.07077	15.6
156.07712	1.6
161.07053	2.3
164.07068	65.1
168.06564	15.4
169.10040	1.8
170.08121	3.3
172.07538	2.8
174.08765	4.0
182.08179	13.2
184.11243	1.8
185.19261	1.2
186.09140	4.8
187.12265	2.4
194.09891	1.2
198.09128	4.2
201.10312	1.3
204.11414	1.1
212.10857	6.5
215.11812	4.7
216.10214	1.5
218.10103	1.8
225.10234	1.8
229.09810	2.1
231.11411	1.4
239.11853	2.4
240.10187	4.2
242.11967	1.2
243.11392	6.8
248.70932	1.1
257.12860	10.3
261.12549	4.1
263.06976	1.1
267.11377	2.6
285.12344	100.0
286.12665	2.2
303.13385	17.1
303.16943	1.9
306.08923	2.0
321.11197	9.9
321.15234	10.3
321.19037	4.8
332.94727	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
54.25211	0.4
54.71975	0.4
55.05508	0.8
65.03937	0.4
67.05510	8.8
69.07036	0.4
69.19332	4.6
71.04993	1.4
79.05474	0.7
81.07069	2.2
82.92720	0.4
85.02921	1.1
91.05501	0.9
93.07038	1.1
93.70372	0.4
94.06575	8.9
95.08615	1.1
96.08135	0.5
97.06535	1.0
99.08141	0.5
102.79524	0.4
110.60762	0.4
122.06038	29.9
123.11755	0.5
126.05537	0.5
133.10226	0.4
136.07584	57.7
140.07080	0.7
141.12750	0.6
147.33815	0.4
164.07077	100.0
165.07387	0.6
182.08141	82.1
183.21321	0.4
213.38690	0.5
216.25949	0.5
243.11378	0.5
259.14447	0.7
274.13910	0.7
303.13535	0.7
303.17871	2.7
304.11887	0.5
321.18961	7.2
321.22617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56282	0.5
67.05502	7.9
67.05830	0.7
69.15334	0.6
69.39880	0.5
71.13142	0.9
78.56515	0.5
81.07048	1.3
85.02924	0.5
91.05484	1.6
93.07057	1.1
94.06571	8.0
95.04975	0.5
97.06508	0.6
103.29164	0.5
108.08141	0.5
108.33578	0.5
121.29804	0.5
122.06030	29.0
123.04460	0.5
128.47536	0.5
129.40013	0.5
136.07579	59.1
140.07030	0.6
164.07068	100.0
178.08310	0.6
182.08128	79.1
198.09407	0.7
258.11212	0.7
274.13974	0.6
286.10992	0.6
292.15195	0.5
303.13364	1.4
303.17773	3.7
304.11859	1.0
321.15073	1.0
321.18884	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	321.103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52124	1.1
56.96576	8.5
58.99855	1.7
60.92016	1.2
69.03419	2.0
70.98098	1.8
71.55336	2.0
77.40041	1.5
82.99834	4.9
84.96001	2.0
85.02882	1.8
87.71161	1.3
88.99139	2.1
94.99815	2.0
97.01395	5.4
97.02852	1.6
98.97580	34.2
99.02934	2.3
101.00883	36.2
103.02411	2.1
110.97560	5.8
112.99122	2.3
113.00864	19.1
115.02428	17.3
116.98613	7.3
117.03994	9.5
119.01919	35.0
127.02423	5.4
128.98586	4.7
129.00247	1.4
129.03975	3.3
131.01894	23.2
133.03471	20.9
134.99596	1.8
135.05003	5.7
137.00842	5.6
137.02957	2.0
139.02374	1.7
140.98610	1.9
141.03940	5.7
143.00157	2.1
143.01892	24.7
144.99733	1.3
145.03452	15.9
146.99600	4.7
147.03215	1.6
147.04999	2.7
149.02931	2.3
151.04463	1.7
153.03978	2.5
155.01898	36.5
156.02692	3.2
157.03473	9.0
158.99669	7.2
159.05037	34.3
161.02968	17.5
161.06689	2.1
163.04498	5.2
165.03876	1.3
167.50789	1.3
168.99806	7.7
170.99658	1.4
171.01187	1.5
171.03520	2.1
171.05023	42.4
172.94327	2.7
173.02971	26.5
173.06598	9.9
175.04414	2.9
176.93690	2.7
177.00697	3.8
177.04536	2.2
177.06068	8.3
183.05048	3.7
185.02928	5.4
185.06607	3.0
187.00894	10.9
187.04506	2.2
189.00636	3.5
189.02435	5.1
189.04344	2.6
189.06052	19.0
190.95296	1.6
191.02423	1.5
191.04002	6.6
191.07661	2.3
195.05064	2.0
196.99367	4.4
197.03021	1.6
199.04590	1.8
201.00729	3.3
201.02487	1.9
201.04361	2.7
201.06055	13.4
203.04027	22.2
203.07596	2.9
205.01881	3.6
213.06021	8.5
214.95341	1.7
215.00337	14.5
218.94710	2.3
219.01733	7.5
219.03580	2.1
219.07150	7.6
221.05072	43.6
229.01869	10.2
231.07149	4.6
232.96533	2.7
233.05167	8.2
236.95724	2.9
237.02763	5.7
239.06230	1.5
243.07188	6.9
245.05055	3.9
247.03009	27.2
260.99570	1.6
261.02765	2.4
261.08206	66.0
265.04135	3.2
265.92697	1.6
274.97415	1.7
278.96945	3.6
279.04022	3.4
279.09265	100.0
289.04025	4.9
320.97629	1.6
321.10269	94.0
339.09525	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	321.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	13.3
64.75088	1.7
69.03416	2.2
69.97935	6.2
69.98347	3.8
70.98107	3.5
70.99869	2.6
71.38715	1.8
77.00922	2.5
81.68568	1.9
82.99834	6.7
85.02892	4.2
89.00908	2.5
92.43970	1.9
94.19755	1.9
97.39886	1.7
98.21445	1.8
98.97581	28.5
101.00883	47.6
110.97554	5.8
111.05652	2.9
113.00871	15.3
115.02450	27.4
116.06179	2.0
116.98608	5.6
117.02312	2.2
119.01921	41.0
121.01646	1.9
127.02422	4.5
128.98637	2.9
129.12224	2.5
131.01915	21.5
133.03477	59.6
137.02939	2.8
140.98555	3.1
143.00182	2.9
143.01907	30.2
145.03442	12.6
146.99666	3.3
149.02901	2.7
151.04552	5.1
155.01900	24.2
157.03470	16.6
158.99675	9.7
159.05080	4.0
159.07611	2.7
161.02971	20.4
168.99843	5.3
169.03473	1.8
170.99667	3.9
171.01387	3.3
171.04980	3.4
173.02971	36.3
174.99124	3.5
175.04523	41.0
177.00696	3.7
177.02504	3.1
177.06114	3.2
183.01430	3.3
185.02975	9.7
187.00909	10.1
188.97076	2.2
189.02477	3.3
191.04010	11.5
193.00266	4.5
193.05553	2.6
196.99297	5.1
199.00916	1.9
201.00670	7.1
201.02419	45.8
201.04225	3.3
201.06061	3.7
203.04001	12.5
210.51984	2.1
213.02454	13.3
215.00439	11.3
217.05650	3.1
219.01912	5.7
219.03525	100.0
221.03146	2.5
221.05096	31.4
229.01936	7.4
231.03574	16.1
233.05116	5.7
233.84561	1.9
235.06650	5.7
237.02670	3.2
237.04715	3.4
239.06213	18.4
242.05014	3.6
245.05107	3.0
247.03006	24.0
249.04701	9.4
253.07649	4.3
261.00095	1.6
261.02368	4.1
261.04559	8.4
261.08261	5.8
263.06085	3.2
265.04074	2.7
272.76855	2.0
277.07785	14.6
279.09241	6.9
289.03949	7.2
295.08853	2.4
321.06622	25.1
321.10571	15.1
339.07745	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	321.067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07039	1.7
54.02235	2.0
56.96296	2.7
56.96566	35.7
61.88746	1.9
69.03439	4.4
70.06582	3.4
70.98116	2.8
70.99852	3.0
71.55318	2.6
71.55757	2.6
73.01438	2.2
82.99845	4.9
84.08145	2.2
84.96037	9.7
85.02905	7.3
91.02455	3.8
97.01398	3.6
97.02884	5.4
98.97590	100.0
101.00890	48.2
102.24519	2.2
102.96870	5.5
103.00641	3.4
103.02422	3.3
106.56047	2.0
110.97591	19.2
112.99138	4.2
113.00880	17.6
115.00666	5.5
115.02430	16.6
116.98630	39.3
117.03981	5.3
117.98965	2.0
119.01929	78.3
120.97957	2.0
121.01668	6.6
124.99113	3.5
127.02426	5.0
127.03899	2.7
128.98604	14.6
129.02148	2.2
129.03978	6.8
131.00238	4.3
131.01926	31.9
133.01729	5.4
133.03468	29.3
134.99658	11.5
135.02199	1.9
135.03195	7.3
135.05034	3.3
137.00909	2.1
137.02960	10.8
138.05504	3.0
139.05881	1.9
140.98619	12.6
143.00194	10.6
143.01875	17.9
144.99890	2.8
145.03474	15.5
145.05017	1.9
146.99643	4.9
147.05048	4.9
149.02951	8.2
151.04523	6.2
152.98676	2.7
155.01891	14.3
157.03477	10.4
158.99666	32.3
159.01190	3.3
159.03300	5.5
159.05035	15.9
161.01245	6.1
161.02953	19.4
163.02686	2.2
163.04555	2.6
168.99855	17.6
170.99673	5.5
171.01363	5.7
171.05032	20.5
172.94307	8.1
172.97615	2.0
173.01212	5.8
173.02942	22.3
173.06590	2.5
175.04552	6.8
176.01093	2.3
177.00726	26.2
177.02376	3.7
177.04288	8.4
177.06076	7.6
183.01326	3.3
185.02968	5.7
186.99295	3.9
187.00900	40.2
187.02490	2.6
189.00706	7.6
189.02448	18.6
189.03981	3.3
189.06067	9.0
190.95390	4.2
191.02220	6.4
191.03998	14.4
195.05215	5.9
196.99326	7.0
201.00693	23.6
201.02451	24.2
201.06033	5.3
203.03918	6.1
205.01949	15.4
205.03728	4.4
213.06003	5.1
214.95407	3.3
215.00354	43.2
215.02245	2.9
215.03918	2.3
216.00494	2.1
217.01993	4.8
219.01727	40.9
219.03532	27.4
221.01683	3.0
221.05037	10.6
223.04814	10.9
228.99878	3.7
229.01932	31.4
230.13745	2.2
231.01538	4.2
231.03525	6.0
231.05420	3.8
232.96475	4.4
233.05104	24.3
234.99680	2.8
237.02782	30.4
238.03134	3.2
239.06046	4.3
240.05725	2.1
240.57556	2.3
243.01746	2.9
245.05052	2.5
247.00488	3.8
247.03021	76.6
248.95924	2.4
249.06461	7.5
250.97481	2.3
255.03810	4.2
260.95880	4.2
260.99661	3.3
261.02383	12.9
261.08304	18.9
265.04095	10.0
270.04861	2.6
274.97534	5.2
277.06000	6.5
278.97025	13.5
279.00586	4.8
279.03973	14.6
279.09180	23.7
280.04257	5.0
289.04047	15.8
295.07083	4.5
296.57288	2.2
296.97815	5.9
297.04852	2.6
298.18646	6.2
298.93878	1.8
303.05365	2.2
321.05783	12.7
321.09827	27.9
339.09467	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	319.2633
Annotation	Methyl arachidonate
Peak:m/z	Relative Intensity
51.02366	1.2
53.03947	4.0
55.01875	1.1
55.05516	16.3
57.07080	3.4
59.05009	0.8
61.43303	0.6
65.03937	2.2
67.05508	43.5
69.07074	18.7
69.71935	0.6
69.74921	1.5
69.75333	2.1
71.08605	0.8
73.06546	0.8
77.03921	1.8
79.05498	76.0
79.16441	0.7
80.05836	0.6
81.07061	49.1
83.04987	1.6
83.08624	9.2
85.06541	2.3
89.06034	1.2
91.05484	28.9
93.07049	100.0
95.04978	5.2
95.08612	37.7
97.06536	2.5
97.10183	3.3
98.20770	0.6
99.08096	1.1
105.04511	2.3
105.07035	15.9
107.04948	0.8
107.08601	63.1
109.06540	1.7
109.10161	17.9
111.08088	1.7
114.36511	0.6
117.07018	3.4
119.06021	0.7
119.08585	12.8
121.10151	56.1
123.08070	1.5
123.11696	5.1
125.09637	1.1
131.08580	5.5
133.10143	10.6
135.08063	1.4
135.11697	52.3
137.09618	1.3
137.13249	1.9
141.09177	0.6
143.08578	2.3
145.10138	6.5
145.28758	0.6
147.11679	6.5
149.09615	1.5
149.13269	33.8
150.97591	0.7
151.11191	1.4
153.12759	1.0
157.10130	2.5
159.11676	4.1
161.13300	3.4
163.11197	1.8
163.14827	14.6
171.11728	1.9
173.13245	3.5
175.14836	1.7
177.12817	1.4
177.16399	4.1
179.14287	1.1
185.13303	1.7
187.14841	2.8
189.16388	1.1
191.14342	1.3
193.15883	0.7
199.14862	1.0
200.21896	0.8
201.16412	1.0
205.15973	1.0
209.15356	0.9
213.16364	0.9
217.15941	0.9
221.15401	0.8
223.16885	0.8
227.17920	1.0
231.17456	0.9
237.18472	1.4
249.18570	1.5
259.20642	0.9
263.20023	3.3
277.21671	1.9
287.20425	1.0
287.23569	6.8
287.25928	0.6
319.26355	74.1
320.26089	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	319.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	7.1
68.81528	0.5
69.30894	5.2
71.95269	2.0
78.64875	0.5
92.86802	0.6
98.97588	100.0
100.97224	0.7
101.00912	0.9
102.96873	0.9
115.02420	0.6
116.98624	53.7
117.98975	0.8
119.01918	2.2
128.64273	0.5
130.19432	0.6
133.03477	1.4
134.92068	0.6
134.99669	17.4
138.98987	0.7
140.00171	1.2
149.19426	0.6
153.00685	1.4
156.46001	0.6
158.01262	0.8
161.02962	1.6
171.01347	0.7
172.94414	1.1
176.97501	0.6
177.00958	2.3
179.00734	0.7
189.02448	1.2
190.95450	1.0
191.03932	1.0
201.00958	0.9
203.04005	2.0
205.02350	1.1
214.95445	1.4
216.98741	2.5
219.01994	8.6
221.01932	0.8
230.98953	0.6
231.03522	0.7
232.96498	1.5
234.99811	2.9
240.98676	5.9
243.02077	0.7
249.04683	1.0
250.97623	0.8
254.93433	1.2
256.96661	0.6
258.99774	78.6
259.99933	1.7
261.03027	2.1
264.98917	0.6
272.94415	2.2
274.97516	7.1
277.00812	80.7
277.97498	0.8
278.01056	2.0
282.01373	2.1
282.99963	5.6
284.00357	0.7
290.95474	0.7
292.98593	4.1
294.98746	1.0
295.95932	1.8
296.08850	0.8
298.97733	0.7
300.02377	2.3
300.97528	3.2
301.01047	6.8
316.98810	1.2
318.94562	1.1
318.98190	4.9
319.06995	1.0
334.90546	0.6
336.95245	0.8
336.98819	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2065
Annotation	Protoemetine
Peak:m/z	Relative Intensity
51.98142	0.3
53.03949	1.6
55.01873	2.7
55.05507	2.6
56.05011	0.3
56.96555	0.5
65.03933	0.7
67.05506	12.1
68.05018	1.1
69.03422	0.6
69.05803	0.7
69.07076	2.2
70.02956	0.3
70.06594	2.3
71.04969	0.6
79.05492	13.9
80.05022	1.4
81.03421	1.7
81.07061	6.0
82.02925	0.4
82.06578	1.4
83.04959	0.5
83.08608	0.8
84.04489	0.7
84.08125	0.6
85.06521	0.5
88.07592	0.3
91.05484	7.0
92.04981	0.3
93.05766	0.8
93.06470	0.5
93.07043	8.1
94.06021	0.5
94.06573	7.0
95.04976	2.6
95.08605	3.8
96.08131	10.7
97.06506	0.6
97.10155	0.3
98.06020	0.7
98.20772	0.6
103.05467	0.5
105.04503	0.6
105.07031	4.3
106.06558	1.9
107.04954	6.0
107.08593	4.6
108.08144	1.8
109.05256	1.2
109.06490	0.5
109.10171	0.9
110.06018	0.7
112.07593	3.3
115.05479	0.4
117.05757	0.3
117.06997	1.3
118.06563	1.4
119.04938	0.3
119.05949	0.3
119.07347	0.4
119.08588	2.0
120.04510	0.3
120.08112	8.8
121.06474	1.0
121.08883	0.3
121.10171	1.7
122.06029	4.3
122.09697	0.5
123.08084	0.7
124.07575	0.7
129.06981	0.7
130.06508	0.4
131.08600	1.6
132.08064	0.9
133.06500	0.9
133.08954	1.5
133.10057	1.5
134.06009	0.7
134.09668	1.6
135.08064	0.5
135.11710	1.4
136.07574	24.1
138.05460	0.4
138.09138	1.1
141.06979	0.4
143.07437	0.3
143.08551	0.9
145.06474	0.6
145.10120	1.3
146.09653	2.7
147.08009	0.4
147.10521	0.5
147.11673	1.2
148.07578	11.2
148.11197	0.7
149.08400	3.2
149.09540	0.5
149.13237	0.3
150.09122	2.6
156.08134	0.5
158.09656	0.9
159.11649	0.6
160.07584	0.8
160.11209	1.2
161.09593	0.3
162.09166	1.8
163.09898	0.5
163.11166	4.3
164.10577	0.3
170.09676	1.2
171.11714	0.7
172.11220	0.8
174.09152	2.4
175.09904	0.4
176.10719	1.0
178.53300	0.3
184.01503	0.3
184.11206	0.6
187.11163	0.5
188.10712	1.0
189.12877	0.5
190.12262	0.3
202.12282	0.5
205.12276	0.4
218.78087	0.3
224.08200	0.3
254.19090	0.4
262.18060	0.5
272.20029	3.5
274.18005	0.3
274.21771	0.9
282.18539	2.0
288.19684	0.8
290.21091	2.4
295.12167	0.5
300.19577	37.1
318.20633	100.0
319.21005	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2026
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
53.03950	0.7
55.05510	4.5
56.05025	1.2
56.96560	1.9
57.03425	1.4
60.04221	1.1
60.04526	20.3
61.02919	1.6
67.05482	1.9
68.05026	0.6
69.03436	2.7
69.03733	0.5
69.07069	2.0
70.02947	1.4
70.06583	3.2
70.13645	0.6
70.13985	2.4
70.64917	0.5
71.04993	0.9
72.08157	62.0
73.02896	1.0
79.05489	2.1
80.05019	0.9
81.03413	2.7
81.07085	2.7
82.06587	0.5
83.04976	1.1
83.08638	0.8
84.08147	1.7
85.02907	7.2
86.09708	21.7
86.64078	0.5
87.05594	15.5
90.05561	5.0
91.03933	0.8
91.05477	2.1
93.07037	1.7
94.06557	1.1
95.04961	1.0
95.08636	0.5
96.08121	1.8
97.02906	2.9
97.06512	1.3
98.09717	0.7
98.97573	3.8
100.07565	0.7
103.05482	1.2
105.07053	0.9
107.08607	1.1
109.06506	0.9
109.10159	0.6
110.06050	0.7
110.07175	1.0
112.07619	0.8
114.08411	1.1
114.09176	18.2
116.98579	1.1
118.08688	0.8
119.04980	0.5
119.08582	0.7
120.08092	0.6
121.06480	2.4
121.10146	0.6
123.04359	0.6
127.03905	1.5
128.10724	1.3
129.07001	0.7
129.10275	0.8
129.47801	0.5
132.10193	5.7
133.10146	1.2
137.05986	1.1
137.07074	0.6
138.05498	4.3
144.06580	0.7
145.04968	3.9
149.05920	0.6
149.09569	0.7
156.06569	2.5
156.10229	1.6
158.99644	1.2
159.11293	100.0
163.06033	0.7
167.10658	0.8
173.12863	11.9
175.07491	0.6
175.11182	1.0
177.00731	0.7
182.15471	0.8
187.10783	38.3
192.13791	0.7
193.12204	3.3
194.06973	0.6
201.12329	4.4
210.14903	11.5
211.13307	7.6
228.15955	8.9
231.16991	1.3
236.16563	0.6
254.17413	1.2
256.15433	1.6
257.13712	1.2
258.04089	0.9
265.10855	0.7
273.06461	1.1
274.16528	6.4
282.17007	1.3
300.18021	2.5
301.11713	2.0
318.16000	1.5
318.19598	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	318.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54086	2.5
55.01863	2.8
55.05503	9.8
55.65134	2.1
56.05051	4.6
56.96569	6.2
57.03444	3.2
60.04535	2.5
67.05500	14.2
69.03442	3.6
69.07066	6.0
70.06604	11.0
70.57606	3.4
70.57948	4.1
71.04982	2.6
72.08162	3.0
79.05499	13.8
80.05019	2.4
81.03421	30.2
81.07063	15.3
83.04977	10.0
83.08625	10.6
84.08176	3.0
85.02906	4.3
85.83224	2.4
86.09725	2.2
90.05554	67.8
91.05511	10.9
93.07072	11.5
94.06598	2.6
94.69588	2.3
95.04961	15.3
95.08622	9.0
97.02901	2.6
97.06521	4.8
97.10176	4.2
98.06031	2.6
98.97600	6.1
105.07033	10.5
107.04959	4.8
107.08601	8.5
109.06512	3.3
109.10175	3.9
111.08087	6.1
116.98650	2.5
119.08561	8.3
120.08092	3.5
121.10159	6.7
123.08074	2.2
123.11673	2.8
128.07057	2.4
129.07034	5.1
131.08566	6.8
133.10150	8.3
137.06000	4.5
137.09554	2.3
138.05492	6.1
147.11705	7.9
149.09642	5.7
157.10156	6.9
172.76311	2.5
175.11201	10.4
192.13855	2.8
193.12297	36.3
210.14906	48.4
211.13297	100.0
214.08429	2.3
228.15967	27.7
236.16432	3.4
238.14438	6.1
254.17517	8.9
255.11346	2.6
256.15457	17.8
274.16589	15.2
282.16953	9.9
300.18152	20.5
318.17001	8.1
318.20743	4.9
319.13086	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	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01859	0.5
55.05234	0.3
55.05492	0.8
56.05035	0.6
57.03428	1.2
60.04538	0.4
61.02930	2.0
67.05491	0.8
69.03429	3.8
69.07056	1.4
70.06612	1.9
70.13982	1.5
71.05013	0.6
72.08140	1.1
73.02908	1.0
79.05492	0.8
80.05019	0.8
81.03435	1.8
81.07047	0.8
82.06584	0.8
83.05000	0.4
84.08145	0.7
85.02434	0.6
85.02912	9.1
86.09698	1.8
87.04482	0.7
87.05606	0.5
90.05555	0.5
91.03939	0.6
91.05475	0.7
93.07049	2.1
95.08598	1.3
96.04499	2.4
96.08139	1.4
97.02891	3.5
97.05274	1.4
97.06540	1.4
98.97599	0.8
100.07609	1.1
101.18297	0.3
103.05444	0.6
105.07059	0.4
109.02885	1.0
109.06508	0.9
110.06053	4.6
110.09682	3.7
111.08080	1.0
119.08595	0.5
120.08099	0.8
121.02848	0.4
121.06496	5.0
123.06789	0.3
125.08367	0.5
126.09156	7.4
127.03935	1.9
131.50241	0.4
131.68230	0.4
138.05518	2.2
138.09148	18.5
139.07552	1.1
145.04985	3.1
156.10205	100.0
159.11310	1.0
163.06052	0.5
168.10233	0.9
173.12886	1.7
180.10164	0.9
183.08118	0.5
193.12425	0.3
198.11327	0.6
201.12386	0.5
210.14920	3.7
211.13287	0.7
222.11249	0.3
226.47926	0.3
228.15950	3.5
256.15540	0.5
274.16519	3.7
282.16861	0.5
300.17957	0.9
301.11496	0.5
318.15631	3.4
318.18967	1.1
318.34436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2111
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
51.36452	1.4
53.03947	2.6
53.32460	1.5
55.01861	2.7
55.05510	11.9
57.07057	5.2
58.35256	1.6
59.04982	5.6
64.15712	1.5
65.03932	1.9
67.05508	49.0
69.03413	4.5
69.07061	4.2
71.04967	2.7
71.07739	3.1
79.05517	10.1
81.07053	27.7
83.04964	4.8
83.08608	7.1
85.06525	3.5
88.25660	1.7
91.05081	1.4
91.05496	15.1
93.07044	17.7
95.04971	24.5
95.08615	18.2
97.06518	6.7
105.07024	15.6
107.04961	3.0
107.08592	39.3
109.06516	19.7
109.10157	81.3
111.08043	1.8
117.07016	4.5
119.08580	61.1
121.06536	8.3
121.10149	9.3
123.08064	25.6
125.05968	3.0
125.06855	1.8
130.07755	2.2
131.08585	5.8
133.06461	4.4
133.10158	11.0
135.08099	13.1
137.05995	2.6
137.09619	64.6
141.06908	1.6
143.08562	7.3
145.10094	8.7
147.08054	5.6
147.11674	7.1
149.09610	7.5
151.07545	55.9
153.05455	4.1
153.09192	1.8
155.10632	2.3
157.10153	5.0
159.08064	3.2
159.11667	4.4
161.09619	8.9
161.13330	1.8
163.11211	3.7
165.09103	4.8
167.07074	3.6
171.11679	6.5
173.13190	3.7
175.11160	3.1
177.09038	3.7
179.10684	2.0
181.08578	5.4
181.10066	1.8
181.12170	3.5
183.11670	2.2
187.11263	1.9
187.14810	2.3
189.12747	27.5
197.13293	3.6
199.11194	4.7
201.12885	2.2
207.13786	20.8
208.12317	2.2
215.14268	5.3
217.12296	1.7
221.15350	5.3
225.12860	2.4
233.15321	4.7
237.14853	5.7
243.13747	9.8
259.16980	1.8
261.14966	3.3
281.19107	4.1
299.20172	13.9
317.21115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2111
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
50.01303	1.1
55.01870	1.9
55.05506	10.5
57.07064	4.9
59.04992	4.6
65.03917	1.7
67.05505	43.9
69.03425	4.8
69.07066	6.6
69.77925	7.7
71.04983	3.4
79.05493	8.3
81.07059	21.6
83.04973	2.8
83.08607	6.5
85.06548	2.6
91.05478	14.7
93.07050	16.7
95.04971	19.4
95.08613	16.6
97.06546	7.3
105.07031	14.5
107.08596	36.4
109.06513	13.6
109.10157	70.6
111.08058	2.9
112.82333	1.2
117.06992	2.7
119.08583	48.6
121.06483	3.9
121.10133	8.4
123.08075	20.8
125.05932	1.7
125.09621	2.6
127.80499	1.3
128.06216	2.4
129.06999	2.4
131.08553	6.8
133.06465	4.3
133.10121	8.3
135.08066	8.9
135.11665	4.1
137.09622	55.9
139.07585	2.2
143.08548	5.3
145.10139	9.3
147.08070	4.3
147.11697	3.1
149.09621	6.2
151.07544	48.6
153.05530	3.3
155.10597	1.5
156.09377	2.7
157.10162	2.5
159.08037	1.9
159.11713	4.6
161.09642	9.4
161.13306	2.4
163.07608	1.4
163.11162	5.5
165.09135	5.1
167.07068	2.4
169.10168	2.6
171.11655	4.7
173.09659	3.6
173.13301	3.7
174.10388	1.6
175.11102	1.9
177.09149	2.0
179.10558	1.8
181.08620	5.0
181.10118	1.4
183.11725	2.6
185.13333	1.5
189.12755	20.7
191.10663	1.5
197.13235	2.2
199.11137	2.8
199.14806	1.5
203.14375	2.8
207.13803	23.6
209.15399	1.6
215.14365	3.1
217.12433	1.9
221.15398	2.8
223.14861	1.5
228.49957	1.5
233.15381	3.0
237.14844	7.3
241.15784	1.7
243.13844	8.1
244.78044	1.7
256.26419	3.1
259.16949	1.9
261.14871	4.1
275.61044	1.6
281.19119	4.4
299.20087	15.8
305.56668	1.4
317.21121	100.0
318.30026	9.0
339.78229	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2088
Annotation	15-deoxy-Delta12,14-Prostaglandin A2
Peak:m/z	Relative Intensity
51.29556	0.9
57.07088	1.1
67.05481	1.5
69.07050	1.0
70.87512	2.2
73.62743	0.9
81.07045	1.0
83.08629	0.9
91.05485	1.8
93.07001	1.2
95.08595	1.3
105.07032	1.9
107.08607	1.2
109.10168	1.1
119.08562	2.4
133.10123	1.3
147.11755	1.2
238.73732	1.1
267.61398	1.0
299.19855	31.1
299.23276	2.1
317.20865	100.0
335.20648	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03108	0.8
55.01860	2.3
55.05526	4.0
55.58829	0.7
56.04787	1.0
56.05040	11.6
56.96566	7.4
57.03446	5.1
58.06607	10.5
67.05506	8.0
68.05017	3.1
68.99792	0.9
69.03435	4.2
69.07057	2.8
70.02983	0.9
70.06596	34.2
71.01361	1.6
71.04982	1.3
71.56026	1.7
74.06084	84.3
74.97617	1.1
79.05499	5.4
81.03400	2.7
81.07053	6.5
82.06557	1.0
83.04981	1.8
83.08603	2.9
84.04512	4.6
84.08134	1.7
85.02895	3.1
85.06532	4.0
86.06072	78.5
86.09710	25.3
87.04484	1.0
87.10048	0.9
88.03996	33.4
88.07613	3.5
90.59930	0.9
91.05492	7.3
93.07037	3.8
95.04953	3.9
95.08598	3.1
96.08128	1.1
97.02892	4.2
97.06544	1.8
97.10138	2.1
98.09698	10.1
98.97586	10.0
99.04470	1.1
99.05593	0.9
103.78864	1.0
105.07030	4.3
107.04935	1.3
107.08598	4.3
107.20033	0.8
109.02863	1.3
109.06506	1.3
109.10152	3.9
113.07116	1.2
114.09129	1.4
116.98640	4.1
117.03374	1.1
117.07033	1.3
119.04955	1.4
119.08574	2.9
121.06496	2.5
121.10153	1.6
123.04418	2.9
124.11263	2.0
125.06061	0.9
125.07102	1.3
125.09552	1.9
127.03865	1.4
127.12318	1.7
128.06227	0.9
128.10719	0.8
128.98613	1.0
129.06995	2.0
131.08521	1.4
132.10205	24.5
133.02847	2.8
133.06468	1.2
133.10161	4.1
135.04424	1.3
135.08047	2.3
135.11678	1.4
137.05977	6.5
137.09610	1.3
140.10672	1.6
142.08691	1.0
142.12254	2.9
143.08415	1.3
144.10197	12.9
145.02759	1.0
147.04401	1.3
147.07942	0.9
147.11711	1.3
149.05965	1.9
149.09618	1.1
150.06683	3.2
151.03905	1.9
151.07558	5.0
153.01814	2.4
153.13843	1.1
155.11801	2.7
158.10623	1.3
158.11781	11.5
158.99648	2.4
161.09616	1.9
165.06984	1.5
169.13374	1.1
171.14923	2.6
173.13187	2.1
175.07570	1.6
177.00764	2.0
177.05563	1.4
178.98656	1.8
179.10667	1.1
181.13332	2.5
187.14474	2.5
189.04376	2.3
189.09076	1.8
191.01833	1.0
199.14445	12.3
201.12404	5.7
210.14880	1.0
211.13184	2.2
215.13959	2.0
225.06479	1.4
225.11169	2.8
227.13921	16.8
233.14961	17.4
237.02782	1.0
243.12097	1.1
245.14984	100.0
249.06392	1.4
256.13290	2.0
270.46347	0.8
271.09790	1.7
275.04379	1.1
281.16486	1.1
285.03824	2.0
287.07230	1.0
287.10229	3.2
289.18973	1.9
296.07190	2.4
296.57541	1.1
299.05569	3.0
299.14886	3.4
299.19791	3.5
317.06580	8.5
317.11252	2.6
317.21106	24.8
325.10645	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1959
Annotation	Geranyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03951	1.4
55.01867	2.0
55.05504	2.4
57.03430	3.1
57.07072	2.5
59.05012	0.9
61.02917	3.5
65.03968	0.9
66.90298	0.5
67.05521	3.3
69.03427	9.6
69.07061	4.4
71.01325	0.9
71.04993	1.0
73.02923	2.1
76.83997	0.6
79.05483	7.2
81.03419	3.3
81.07059	100.0
83.04975	1.2
83.08638	0.8
85.02907	63.7
87.04472	0.8
91.05488	2.5
93.07044	6.9
95.04966	1.4
95.08611	16.7
97.02894	10.5
97.06548	1.9
99.04459	2.6
103.03943	1.7
105.07012	5.0
107.08591	6.3
109.02874	6.4
109.06551	1.5
109.10166	2.4
111.04498	1.0
115.03981	1.2
117.07001	0.9
119.08598	3.5
121.10160	2.5
123.04517	0.8
123.11729	1.0
127.03925	15.3
129.05467	1.5
129.06976	0.7
131.08559	1.6
133.05038	0.9
133.06493	0.9
133.10139	1.8
135.08022	0.9
135.11682	7.8
137.05975	1.1
137.13257	36.5
143.08585	2.1
145.04953	16.0
145.10213	1.4
147.06532	0.8
147.08054	0.7
147.11710	2.7
149.13295	2.6
157.10162	1.0
159.08107	0.6
159.11696	1.6
161.13309	2.6
163.06032	15.0
163.07414	1.2
171.11717	1.2
173.13278	2.1
177.12733	1.4
179.14462	0.9
185.13315	0.8
189.12865	0.9
191.14336	1.0
203.14275	1.6
205.12364	0.6
221.15269	0.6
223.13313	0.9
245.15442	1.4
263.16333	3.6
281.17566	2.5
299.18610	1.0
302.04376	1.3
317.06622	1.3
317.19678	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	317.1384
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
55.01867	4.2
55.05509	3.5
56.96565	7.7
57.03435	3.5
57.92981	1.2
58.06585	1.1
65.03950	1.7
67.05503	11.8
69.03434	5.8
69.07068	3.0
70.06594	6.7
71.01360	2.3
71.04996	2.0
71.56141	1.8
72.08154	2.6
74.06071	5.9
79.05496	7.0
81.03418	3.4
81.07058	8.0
83.04987	2.0
83.08604	2.1
84.04496	1.3
84.08144	2.7
85.02919	2.1
85.06558	1.3
86.06069	4.1
86.09698	5.8
87.10069	1.5
88.03967	2.1
91.05486	25.6
93.07050	6.4
94.04167	1.9
95.04974	7.0
95.08611	2.5
97.02896	2.1
97.06524	6.5
97.10171	1.2
98.97591	6.6
103.05457	4.4
105.07021	4.9
107.04977	6.3
107.08592	3.5
109.02876	2.1
109.06511	3.7
109.10187	4.6
111.04472	1.5
111.08049	1.8
116.98631	1.8
117.07039	3.5
119.04955	13.6
119.08576	4.7
121.06503	12.9
122.03660	5.0
123.04427	13.4
123.08046	1.5
125.09628	1.4
127.03941	2.5
128.06241	3.7
129.07004	16.8
131.04956	3.5
131.08594	1.9
132.10185	1.4
133.06461	1.7
133.10146	2.2
135.04436	4.7
135.08113	2.7
136.05235	2.3
137.05984	100.0
143.08580	1.7
145.06477	3.0
147.04437	15.9
147.08052	7.5
147.11754	1.5
149.04808	1.3
149.05997	29.0
150.06763	3.8
151.07550	63.9
153.07004	1.5
155.08607	1.8
157.06509	11.5
157.07619	2.6
160.05159	1.4
161.04811	1.4
161.05995	4.9
161.09601	2.0
163.07536	5.0
165.07014	14.5
167.08522	6.7
169.06512	1.7
175.07547	37.3
175.09030	2.4
178.07788	6.0
178.98657	1.3
181.06482	2.2
182.07246	2.5
183.08075	2.8
189.09088	3.4
193.06537	8.2
193.08594	3.0
193.10196	3.7
195.08089	9.9
195.09935	1.9
197.05946	3.7
203.08336	4.8
206.07378	1.6
207.05542	1.9
210.06786	7.6
211.07578	8.1
213.09094	6.4
215.07115	1.6
221.06029	10.0
221.09549	8.2
223.07516	3.9
224.08356	1.6
225.09113	8.6
225.11267	3.0
227.10677	2.4
233.14981	1.6
235.07433	1.7
238.06310	4.3
239.07042	9.3
239.10699	2.3
240.07852	2.5
241.08629	7.1
243.06473	1.3
245.15031	7.6
249.06647	1.5
249.09117	3.8
253.08640	12.5
253.12381	8.2
255.06575	1.7
256.13354	6.3
258.08887	3.7
261.16406	1.4
267.10074	2.2
270.08853	2.3
271.09634	28.8
273.11203	17.5
281.11752	5.0
281.16446	3.3
289.19058	2.7
299.09680	2.5
299.12637	21.6
317.06552	2.1
317.10638	2.3
317.14209	11.4
317.18597	13.0
317.24533	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	317.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.6
55.01857	1.4
55.05512	0.7
56.96564	2.2
57.03430	0.5
60.04521	1.1
60.68019	0.4
61.02913	0.7
67.05485	1.7
69.03425	2.6
69.07071	3.0
70.06587	6.5
70.26562	0.9
70.26935	1.5
71.04972	0.5
71.06908	1.2
72.08154	1.5
73.02918	0.5
79.05487	0.9
81.03412	1.8
81.07053	1.9
84.04502	1.8
84.08132	1.5
84.96021	0.6
85.02915	3.9
85.06563	0.8
86.09711	4.1
87.04478	0.6
87.08101	0.7
87.10038	1.9
91.05476	1.8
93.07051	1.3
95.04975	0.8
95.08623	1.3
97.02881	2.2
97.06532	1.4
97.10163	0.4
98.06062	0.9
98.97581	5.0
99.04448	0.8
107.04964	1.7
107.08605	1.0
109.02851	0.4
109.06549	1.4
109.10155	2.0
110.97607	0.9
111.04436	0.8
115.07587	0.6
116.07085	6.6
116.98606	1.1
117.07465	2.8
119.04943	2.0
119.08617	0.5
121.06513	0.5
123.04448	0.5
127.03911	1.5
128.98613	1.0
129.10268	0.9
135.04362	0.6
137.05977	4.6
137.08279	0.4
137.09610	0.9
138.05409	0.6
145.04958	0.7
147.04430	1.4
149.79948	0.5
151.07523	0.8
151.39050	0.4
155.06789	11.1
155.10669	0.5
158.99646	0.8
163.03879	0.7
167.07042	0.5
170.09637	0.5
170.11812	0.9
173.12892	1.9
174.13206	1.4
177.00676	0.7
179.07051	3.0
185.04219	7.4
185.12010	1.5
187.17531	0.4
188.12767	3.4
195.42230	0.5
198.12863	0.5
200.14520	0.8
201.12399	0.7
202.12622	1.0
203.05238	4.4
212.14378	2.6
215.05917	0.7
219.01823	1.6
228.13878	0.8
231.05020	0.6
237.02821	2.2
238.14780	0.6
243.11259	0.8
253.17189	0.7
254.11707	0.6
256.13327	7.6
257.03958	0.7
257.09253	2.2
270.14954	0.9
271.10513	0.9
274.14331	0.7
281.16473	6.2
282.14944	0.6
287.10217	0.6
288.11221	0.6
289.11810	1.5
299.10162	2.7
299.17465	2.2
317.12076	100.0
317.15475	7.6
317.18491	14.2
324.46207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2847
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.05521	5.1
56.05038	3.8
56.96584	0.6
57.03444	0.8
57.07080	3.3
60.04527	100.0
67.05505	8.3
69.07078	6.2
70.06588	1.1
71.08632	1.0
71.25851	0.9
72.04520	1.7
74.06081	2.3
79.05486	4.2
79.51307	0.5
80.05019	1.0
81.07060	8.3
82.06599	1.4
83.04972	0.7
83.08627	3.7
87.04478	0.8
88.25391	0.5
90.05570	1.5
91.05479	3.6
93.07053	3.9
94.06542	0.6
95.04972	1.2
95.08613	7.6
97.06543	1.4
97.10153	2.3
98.06099	0.6
100.22440	0.5
105.07046	2.2
107.08582	2.9
109.06529	1.1
109.10166	4.9
111.08092	0.6
119.08584	2.9
121.10152	1.7
123.11718	1.3
133.10152	1.4
135.11714	1.5
137.09656	1.7
137.13191	0.6
147.11627	0.9
151.07603	1.7
189.12860	0.6
201.38057	0.5
207.13754	0.9
231.13596	0.5
250.25372	1.2
253.11035	0.8
262.25299	1.5
263.23611	0.7
268.26389	0.8
280.26355	13.4
293.14346	0.8
298.27393	16.6
298.30789	1.1
316.28464	58.3
317.21030	3.0
317.28943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
55.05475	2.8
56.05027	1.3
56.96542	0.7
57.03426	1.2
60.04500	1.5
62.06062	0.7
67.05522	3.8
69.07028	1.9
69.33462	2.4
69.33900	3.2
70.06560	2.3
71.07333	1.0
71.08630	17.1
72.08135	1.4
81.07067	4.0
84.04459	2.6
84.08125	1.1
85.02911	8.5
86.06068	3.9
88.03987	0.8
91.05440	2.5
91.36505	0.6
93.07044	4.7
95.04944	1.2
95.08611	20.4
96.08096	2.4
97.06481	2.1
97.10139	0.7
98.06014	0.9
98.09686	4.9
98.97547	1.9
99.08085	6.1
100.07574	1.0
103.03910	0.8
103.05445	2.6
105.06991	1.2
107.04907	0.9
108.08075	2.5
110.09643	2.2
111.08035	1.1
116.10734	23.6
119.08529	1.1
119.83130	0.7
121.06497	5.6
122.09674	4.7
123.08020	1.1
127.74141	0.7
128.07074	0.9
131.04941	1.4
136.11221	1.3
137.05945	2.0
137.09531	0.7
139.07562	1.0
140.10651	1.3
141.11382	0.7
142.12263	1.6
143.10669	22.6
151.07567	0.8
152.14340	0.7
154.12234	0.7
154.15880	0.7
158.99649	0.8
163.07481	0.6
164.10687	1.3
176.10680	1.1
182.11740	3.2
196.16980	3.2
200.12820	100.0
204.10143	0.8
214.18025	39.4
218.13876	12.2
272.20267	3.1
298.20096	15.6
299.12845	1.8
316.21292	28.6
337.89011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67577	0.3
53.03934	0.3
55.01866	0.5
56.96559	0.4
57.03424	1.0
61.02932	1.3
62.06089	3.8
65.03919	0.5
69.03429	3.0
70.06583	0.5
71.05007	0.4
71.55149	0.3
73.02917	0.6
81.03442	1.4
81.07042	0.3
85.02908	9.7
87.04492	0.6
91.03947	0.7
91.05480	14.3
97.02901	2.5
98.97586	1.8
99.04450	0.8
101.00881	0.6
104.10751	0.3
109.02852	0.7
109.06503	1.2
110.97568	0.5
116.98634	0.5
119.01933	0.5
119.04947	11.0
127.03934	2.3
128.98579	0.5
131.01912	0.4
131.48404	0.3
133.03482	0.3
136.07559	0.3
137.05980	100.0
143.01909	0.7
145.03815	0.3
145.04958	1.9
154.03784	0.3
154.08633	17.0
155.01938	0.3
158.99730	0.3
161.03018	0.6
172.97592	0.5
185.03036	0.4
189.00626	0.3
193.13692	0.2
203.04092	0.3
226.06013	0.3
232.99757	0.4
234.03850	0.3
245.05157	0.8
246.05475	0.3
251.00793	0.5
274.97412	0.4
292.04132	0.5
296.09161	0.5
298.12863	0.5
299.11197	0.6
316.08179	0.3
316.13907	5.5
318.47772	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01867	0.4
56.96565	2.3
57.03429	1.0
59.21163	0.3
61.02926	1.5
65.03936	0.6
65.59097	0.2
69.03436	2.7
69.03777	0.4
70.14444	0.5
70.14832	0.5
71.01300	0.2
71.04996	0.3
73.02908	0.6
81.03390	1.1
81.07059	0.7
85.02907	9.7
86.06103	0.4
87.04462	0.8
91.03960	0.6
91.05485	14.2
97.02891	3.3
98.97589	8.6
99.04460	0.9
109.02881	1.1
109.06526	1.2
110.97556	0.7
112.99126	0.3
116.98622	2.5
117.41179	0.3
119.04954	10.6
127.03932	2.3
130.93317	0.4
131.00275	0.3
134.99680	0.3
136.07581	0.8
137.05983	100.0
138.06386	0.3
142.01718	0.4
145.03975	0.3
145.04994	2.1
154.08638	21.7
154.93289	0.2
154.96481	0.3
158.99625	0.2
170.01224	0.2
172.94395	1.1
172.97620	0.6
177.00713	0.4
190.95454	0.6
190.98618	0.5
202.01080	0.7
214.95496	1.1
216.02827	0.3
219.01949	0.3
220.02229	0.5
230.07068	0.4
232.96419	1.3
232.99745	0.9
234.03734	0.3
245.05066	0.3
250.97444	0.3
251.00752	0.7
256.96429	1.8
261.93118	0.4
262.97638	0.3
274.97528	5.8
275.00229	0.3
280.21875	0.2
292.04132	0.7
292.98642	2.5
298.12909	0.4
299.11185	0.5
304.13892	0.2
304.98657	0.4
310.05405	0.3
316.08313	0.5
316.13928	7.1
316.98593	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
56.96568	6.0
57.03431	1.7
61.02913	1.8
65.03917	0.5
66.41157	0.4
68.91387	0.4
69.03431	4.1
70.06618	0.4
70.98124	1.2
71.04978	0.7
71.55437	0.7
71.95259	1.2
73.02917	1.2
81.03414	1.6
85.02911	10.5
86.09663	0.5
86.68604	0.4
87.04461	0.5
91.03926	0.6
91.05484	12.9
91.48619	0.5
97.02906	3.2
98.97585	35.0
99.04414	0.8
101.00927	0.5
109.02869	0.8
109.06525	1.0
110.97569	2.7
116.98626	11.1
119.04945	10.1
123.92255	0.4
127.03946	2.6
128.98586	1.4
130.93298	0.5
134.99657	2.1
136.06067	0.6
136.07587	1.4
137.05981	100.0
145.03413	0.5
145.04979	1.6
146.99709	0.8
154.03772	2.2
154.08630	21.0
158.99719	1.4
170.95990	0.8
172.94359	2.5
172.97577	3.1
177.00772	1.3
187.04521	0.5
187.64922	0.5
190.95416	1.4
190.98650	2.1
213.03377	0.5
214.95439	1.3
214.98756	0.5
218.98309	0.7
219.01802	1.0
220.02205	0.9
220.99818	0.6
221.01872	1.5
226.06041	3.8
232.96393	2.5
232.99760	2.8
235.06583	1.8
245.05101	0.6
250.97789	0.8
251.00789	3.0
256.96420	5.7
273.96310	0.9
274.06830	0.6
274.97510	28.8
288.08890	0.5
291.97226	1.2
292.98584	12.7
293.01724	1.2
297.99316	0.9
316.07733	1.3
316.10303	0.9
316.13687	6.1
316.17276	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95236	0.6
53.03933	1.2
55.01876	1.3
55.05514	4.2
56.96566	1.0
57.03435	11.6
59.05014	1.0
63.79200	0.7
65.03929	0.9
67.05508	74.7
68.99780	1.7
69.03424	2.0
69.07070	9.4
69.62928	3.8
70.06575	0.7
71.04990	1.8
72.34724	0.7
79.05067	1.3
79.05496	20.1
79.90586	0.7
81.07060	49.2
83.04977	7.7
83.08610	1.5
85.06548	3.9
87.00829	4.5
87.04456	2.2
91.05485	30.7
93.07038	10.7
95.04949	1.7
95.08611	12.6
97.06526	10.6
98.97578	2.3
99.08103	6.1
101.06007	2.5
101.46135	0.7
105.07034	20.7
107.08592	3.3
109.06503	1.4
109.10165	4.2
109.10743	0.7
111.08073	1.9
119.08585	23.1
121.10150	11.6
123.08035	0.8
129.07011	1.7
131.08592	1.3
133.10112	1.5
135.08118	0.8
135.11699	2.3
137.13235	2.5
139.11179	1.0
147.11691	33.0
157.10139	1.4
159.08070	1.2
165.12759	11.6
175.11249	3.5
183.13815	100.0
191.10612	0.9
193.12318	0.8
211.13283	1.9
225.14764	1.2
229.14365	4.7
246.55257	0.7
275.03021	0.8
276.28452	0.7
279.12268	14.0
297.13342	6.7
315.08453	1.0
315.19766	0.8
315.23306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24811	0.9
53.03949	1.4
55.05515	5.4
56.96570	1.2
57.03431	12.4
61.18101	1.4
65.03931	2.1
66.96892	0.9
67.05504	73.8
68.99788	2.3
69.03422	3.2
69.07069	9.8
70.06586	2.2
71.04970	1.7
71.10219	1.8
72.08147	4.5
73.46004	1.0
79.05493	21.4
79.16649	1.0
81.03403	2.1
81.07056	45.9
83.04650	0.7
83.04988	8.3
83.08621	2.2
84.08138	2.7
85.02904	2.7
85.06534	3.5
86.09710	1.8
87.00829	4.0
87.04460	2.2
91.05483	31.1
93.07039	13.9
95.04963	2.6
95.08617	11.4
96.08126	2.0
97.02854	1.1
97.06544	8.9
98.97573	3.2
99.08080	6.0
101.06020	3.0
105.07030	21.4
107.04907	2.1
107.08604	5.1
109.06497	1.6
109.10169	5.4
111.08123	1.2
115.03905	1.4
117.07017	1.7
119.08571	21.5
121.06512	1.5
121.10141	14.4
123.04393	1.4
123.08038	1.5
123.11687	0.9
129.07022	1.1
129.10252	7.3
131.08545	3.0
133.10126	2.7
135.08028	1.8
135.11696	5.3
137.05951	2.6
137.13258	1.1
137.90453	1.0
139.11136	1.1
142.07790	1.2
143.03604	1.0
144.98276	0.9
145.10071	1.9
147.11685	31.4
149.06006	1.2
157.10127	1.4
163.11250	1.3
165.12756	11.0
175.11189	3.1
176.10706	1.0
183.13811	100.0
196.04547	1.0
211.13248	3.1
211.48547	1.0
229.14291	3.3
279.12311	14.9
297.13416	4.9
315.08548	1.9
315.12946	1.3
315.16876	6.4
315.23077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.2
55.01880	1.6
55.05509	5.2
56.96574	1.6
57.03437	11.9
61.75851	1.1
65.03954	1.5
67.05508	82.5
68.99789	1.8
69.03445	2.7
69.07072	11.2
69.48543	7.5
70.06596	1.2
71.04982	3.3
72.08158	4.2
77.71680	1.0
78.29625	1.0
79.05501	21.2
80.05039	1.1
81.03421	2.3
81.07060	51.9
83.04983	7.0
83.08625	1.9
84.08139	3.2
84.44450	1.2
85.02900	2.2
85.06539	6.8
87.00828	5.7
87.04477	3.0
88.97099	1.0
91.05489	29.9
93.07058	13.3
95.04964	3.0
95.08612	13.4
97.02890	1.4
97.06538	8.0
98.20738	2.4
98.97611	3.2
99.08092	7.1
101.06024	3.4
104.62549	1.4
105.07032	22.7
106.88748	1.0
107.04988	1.2
107.08614	6.7
109.06537	2.5
109.10153	5.7
111.04416	1.5
111.08083	1.4
117.06997	1.7
119.08585	26.0
121.10162	13.2
122.78014	1.4
123.08120	2.0
123.11746	1.7
129.10225	8.2
131.08597	2.2
133.10135	3.3
135.11728	3.8
137.05984	2.1
137.13290	2.5
145.10184	1.9
147.10504	1.7
147.11694	35.1
149.05940	1.1
157.10150	1.6
165.12775	11.7
169.08792	1.4
175.11191	3.3
177.12778	1.2
183.13814	100.0
189.45973	1.0
193.12212	1.9
205.10973	1.2
205.76262	1.3
211.13356	2.4
225.14848	1.2
229.14436	3.8
229.32463	1.2
275.15070	1.7
279.12283	18.1
283.09866	1.4
292.21765	1.1
294.10321	1.2
297.13397	5.5
315.13242	2.1
315.17139	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	315.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.5
56.96566	1.0
69.03434	0.5
69.83566	1.3
69.83984	1.1
70.06596	2.4
72.08144	0.9
84.08134	0.4
85.02882	0.9
91.05458	0.5
95.08604	0.7
96.84803	0.4
96.95467	0.5
97.02890	0.5
98.21436	0.7
98.97601	2.3
107.04961	0.8
110.06051	1.0
116.07119	0.5
119.05005	0.5
121.06501	0.4
134.56001	0.4
135.04417	1.0
137.05980	1.2
145.76013	0.4
163.02710	0.4
165.07988	0.7
173.09621	0.7
181.03169	1.3
201.03633	0.7
201.09076	1.1
203.05209	2.1
209.02690	0.7
211.02676	0.5
221.05031	0.9
226.05327	1.5
244.13477	0.7
256.08524	1.0
265.06119	1.1
297.08551	0.9
297.11667	0.6
297.15942	0.7
298.07449	0.9
315.14090	100.0
315.17047	5.4
316.14465	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.3
56.96569	2.0
57.07079	6.6
58.06592	1.4
62.05834	0.3
62.06097	2.5
69.07092	0.2
69.07489	0.2
69.23773	0.2
71.08635	3.2
72.08160	1.1
74.06088	0.4
85.10172	0.7
86.01462	0.2
87.04453	0.5
98.21605	0.4
107.13544	0.2
110.97564	0.6
115.97852	0.3
122.54783	0.2
128.98607	0.7
156.17488	1.2
170.19113	0.3
174.18562	4.8
184.20604	1.5
200.20273	0.3
202.21675	4.3
267.40820	0.2
270.31744	0.3
273.11569	0.6
291.12671	3.4
296.29871	0.3
296.33118	1.5
297.22192	0.3
298.10892	0.4
299.11340	0.4
309.13748	0.4
314.14032	1.5
314.18045	3.1
314.21817	1.2
314.34167	100.0
315.16248	1.6
315.34354	0.5
333.17419	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	314.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01870	2.5
55.05518	14.8
56.96563	7.1
57.03432	3.1
60.04520	5.4
60.08151	3.3
66.92146	1.9
67.05508	17.0
68.05795	1.8
69.07074	13.6
70.55937	2.0
70.56277	3.9
71.04992	2.1
71.07352	2.7
77.99851	1.8
79.05492	15.5
81.03410	4.1
81.06587	2.9
81.07057	54.8
83.04981	3.4
83.08610	7.0
85.02882	2.1
85.06535	2.3
86.09706	12.4
89.57504	1.6
90.05560	100.0
91.05478	18.1
93.07061	16.3
95.04969	4.5
95.08616	12.1
97.06522	7.4
97.10170	4.7
98.97562	3.8
104.10743	19.1
105.07029	24.4
106.28329	1.6
107.08599	12.2
109.06517	3.7
109.10165	4.4
109.94445	1.6
116.98627	2.0
119.08583	15.8
119.86427	2.5
121.10142	9.6
123.08086	3.6
123.11721	10.6
125.00008	6.1
125.09653	3.6
129.07001	5.0
129.52461	4.3
131.08551	3.4
133.10129	6.2
136.93164	2.8
138.52960	6.0
139.11163	1.9
147.08026	1.7
147.11696	41.2
157.10117	5.7
157.53741	2.8
163.11377	1.6
165.12779	13.6
172.95178	1.8
175.11162	9.1
180.95799	2.0
184.07365	14.0
189.11165	4.6
193.12277	9.4
197.15546	2.2
198.96826	4.0
208.16934	3.8
210.14937	2.5
219.13821	3.1
236.16447	69.9
236.18852	3.4
240.09978	3.2
254.17509	69.3
261.18552	3.9
264.15918	4.5
268.19131	12.1
278.21893	3.4
282.16995	47.1
284.62122	4.9
293.62582	14.8
294.12726	3.2
296.18564	3.7
296.23080	2.8
299.11774	2.1
314.13956	6.0
314.19522	14.0
314.26917	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	314.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.05501	2.0
56.96557	4.6
59.04992	1.6
61.02926	2.3
66.00861	1.3
67.05457	1.5
69.03421	4.9
69.76970	6.8
70.06579	5.3
72.08157	8.8
73.06557	47.5
77.72837	1.3
81.03411	2.1
81.07072	2.3
84.04507	2.5
84.08168	2.5
85.02910	17.3
86.09712	1.7
89.06041	18.8
91.05450	1.6
97.02895	5.0
98.21510	1.5
98.97594	8.6
99.04466	2.6
111.48534	1.4
114.09107	1.8
115.07544	1.8
116.07086	6.3
116.98624	2.7
117.09155	4.0
117.37392	1.4
119.08610	2.0
127.03935	2.8
135.10173	100.0
137.06000	1.5
145.05017	2.8
152.01637	6.4
152.05902	1.7
152.07077	6.5
158.99680	2.0
164.10455	1.5
171.14935	1.8
189.04329	2.1
197.78215	1.3
199.14542	2.3
209.02797	3.2
215.13847	2.5
219.01939	1.6
252.12234	2.8
269.26627	1.6
296.14923	4.9
314.12793	2.3
314.16071	4.5
314.19635	3.1
333.08401	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	313.2373
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.01866	2.8
55.05512	9.8
57.03433	1.8
57.07080	6.2
58.49708	1.1
67.05181	1.4
67.05511	14.6
69.03426	1.6
69.07070	8.9
69.98677	4.5
71.04995	2.9
75.89568	1.2
79.05489	8.8
81.03427	6.6
81.07064	18.5
83.04984	3.5
83.08607	4.6
85.02896	1.3
85.06533	1.4
85.10185	8.4
86.09737	1.5
86.98755	1.2
91.05482	8.0
93.07052	10.3
95.04986	9.9
95.08602	8.9
97.06548	2.1
97.10174	3.7
98.21455	1.8
102.52522	1.3
104.10745	3.1
105.07016	4.8
107.04961	1.7
107.08591	7.9
109.06518	3.8
109.10146	7.6
111.08051	1.3
113.09650	8.2
116.29139	1.2
119.08570	3.7
121.06537	1.3
121.10172	2.6
123.08048	3.5
123.11716	1.9
125.09646	2.3
131.08597	2.8
133.10109	6.1
135.11673	2.0
136.93185	2.1
145.10107	2.3
147.11720	3.3
149.09613	2.4
149.13231	1.5
151.11195	4.9
154.94199	3.6
157.10168	1.3
165.12758	14.2
172.95253	1.4
173.13283	1.4
179.14311	4.7
180.95680	2.6
194.46381	1.2
198.96806	2.2
208.85352	1.2
249.22197	1.7
261.08765	1.4
277.21661	34.2
277.24741	2.2
285.64728	3.8
294.65579	1.3
295.22699	100.0
296.22839	1.5
301.64139	2.4
304.63245	1.3
313.21518	2.5
313.65958	2.2
316.86334	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2373
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.85773	1.0
55.05521	6.7
56.96559	1.3
57.03425	1.5
57.07072	2.9
67.05511	14.8
69.03413	2.1
69.07069	9.4
71.04996	2.2
71.07758	1.0
71.08077	1.5
71.08263	1.3
71.08637	13.3
71.13116	1.1
73.06566	1.3
79.05488	8.4
81.03418	3.8
81.07063	12.1
82.22595	1.4
83.04977	4.7
83.08609	1.4
85.02911	1.6
85.06506	1.3
86.09689	1.4
91.05492	5.5
93.07047	10.8
95.04975	7.1
95.08607	12.7
97.06530	2.9
97.10178	1.9
98.99718	1.0
99.08093	6.6
104.10771	1.2
105.07027	4.7
107.08604	6.6
109.06547	2.2
109.10154	7.1
111.04425	1.7
111.70650	1.0
112.76447	1.0
117.07027	1.2
119.08582	4.2
121.10123	4.7
123.08053	1.6
123.11709	1.1
131.08548	1.6
133.10143	2.3
135.11674	1.9
136.93115	1.2
137.09599	5.0
139.11198	1.4
145.10104	1.4
147.11671	2.6
151.11192	9.2
154.94131	1.5
155.10713	1.4
161.13219	1.7
163.11206	1.8
175.47673	1.4
179.14308	3.4
185.13350	1.3
221.15364	1.9
249.22128	1.2
268.26370	2.6
277.21616	30.7
295.22699	100.0
296.22891	1.2
310.66373	1.1
313.14383	1.2
313.18008	1.3
313.32153	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2372
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.47442	0.4
53.03926	0.5
54.38670	0.3
55.01866	3.0
55.05504	4.2
56.96552	0.6
57.03419	0.5
57.07060	1.5
67.05180	0.5
67.05502	6.5
69.03423	0.6
69.07066	5.9
71.00548	0.7
71.04977	0.9
71.08618	0.9
74.38109	0.4
79.05494	3.8
81.03395	1.2
81.06663	0.4
81.07058	5.6
83.04965	1.7
83.08605	2.4
85.10174	0.9
86.06049	0.6
91.05473	2.1
93.07042	4.7
95.04953	1.7
95.08610	4.4
97.06522	1.7
97.10158	3.0
99.08119	0.4
105.07014	2.3
107.08615	3.4
109.06551	0.7
109.10153	3.3
111.08024	0.4
111.11700	0.8
113.09682	0.8
117.06998	0.5
119.08577	2.0
121.06480	0.4
121.10153	3.0
123.08067	1.4
123.11700	0.9
125.09622	1.8
129.06937	0.4
131.08554	0.5
133.10127	1.8
135.08080	0.8
135.11665	1.9
137.09599	1.5
139.07536	0.4
139.11176	5.1
141.12659	0.6
143.08580	0.4
145.10114	1.7
147.11694	1.6
149.13148	0.6
151.11165	1.2
153.12744	0.4
155.54079	0.4
157.10107	1.0
159.11626	0.6
161.13240	0.8
165.12720	1.0
171.11713	0.6
173.11775	0.9
173.13217	0.9
179.14311	0.6
181.12271	0.6
185.11736	0.5
185.13269	0.6
187.14896	0.5
189.11201	1.2
209.13324	0.4
211.14862	0.5
223.06622	0.4
231.21037	0.6
241.07396	0.9
249.22183	1.1
259.08685	0.7
259.20483	0.7
267.08981	0.8
277.21649	7.9
285.10071	0.5
287.08047	1.2
295.22693	7.8
313.17719	100.0
314.18085	1.4
332.27185	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2371
Annotation	(7S,8S)-DiHODE
Peak:m/z	Relative Intensity
53.03941	15.9
55.01857	22.0
55.05516	51.8
56.96553	29.4
57.07069	15.2
67.05501	84.8
69.07046	33.6
69.77071	7.4
71.08265	6.9
71.08626	43.6
71.57096	11.3
79.05480	59.5
81.03435	9.5
81.07056	83.3
83.04977	15.8
83.08614	29.2
85.06547	9.6
85.10225	8.2
85.26324	7.0
87.10226	6.8
91.05482	50.9
93.07053	84.4
95.04955	19.4
95.08617	58.5
97.06520	58.5
97.10139	8.4
99.08089	30.1
105.07016	52.4
105.35460	7.3
107.08581	33.4
109.10166	34.0
111.08089	23.1
117.07024	10.1
119.08579	42.7
121.06498	15.3
121.10157	36.2
123.08068	10.1
123.11746	10.1
129.07011	9.1
131.08578	15.9
133.10092	41.3
135.11713	12.1
143.08571	10.7
145.10117	22.6
147.11664	42.0
149.09555	6.7
149.13234	11.2
151.11201	22.9
157.10155	12.2
159.11708	11.0
161.09569	9.1
161.13260	18.2
163.11220	12.6
165.12764	29.1
171.11642	22.3
173.13300	20.0
175.11206	9.4
179.14229	16.9
189.11078	8.0
189.12743	14.3
195.11868	7.8
207.13817	20.5
241.07452	10.1
241.19572	9.4
245.07208	7.1
257.54965	7.7
259.20551	18.7
277.10953	8.4
277.21689	100.0
295.22595	68.6
313.10336	7.2
313.14395	21.1
313.17868	28.4
313.21689	25.8
313.25034	9.0
314.14169	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	313.2371
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
51.02376	4.4
53.03934	9.5
55.01865	30.3
55.05511	67.0
56.96576	6.5
57.03442	16.3
57.07073	10.3
61.02937	6.1
61.84269	4.4
63.99972	4.6
65.03920	5.9
67.05505	97.8
69.03423	12.7
69.06724	5.9
69.07070	69.7
71.00942	9.1
71.04990	14.9
71.08624	9.9
79.05489	63.4
81.03413	21.4
81.07053	100.0
83.04983	20.2
83.08609	28.9
85.02895	8.8
85.06516	10.9
86.09703	11.5
88.99202	4.3
90.05543	21.9
91.05476	52.2
93.07047	71.4
94.02213	4.2
95.04978	36.7
95.08608	71.5
97.02881	5.9
97.06533	56.8
97.10169	43.3
98.97609	8.2
99.08073	5.4
104.10771	6.3
105.07043	48.6
107.04979	7.6
107.08617	45.2
109.06505	12.4
109.10152	66.6
111.04454	4.9
111.08026	5.7
111.11709	5.4
117.07024	6.4
119.08584	41.7
121.06524	7.9
121.10147	39.7
123.04379	8.6
123.08099	24.5
123.11740	11.3
125.09621	31.7
129.07007	13.1
131.08545	22.1
133.09253	4.8
133.10127	26.9
135.08032	11.3
135.11696	14.8
137.05959	12.7
137.09584	22.5
137.13248	5.1
139.11194	45.7
141.07030	4.8
142.07744	7.6
143.08578	11.2
144.09431	4.5
145.10130	19.3
147.08093	6.3
147.11676	32.4
149.09637	9.9
149.13261	12.4
151.11179	10.8
153.12704	5.1
155.10632	9.1
157.10117	25.3
159.08060	11.5
159.11720	13.6
159.82976	4.6
161.06006	6.0
161.13283	12.8
165.12766	13.5
167.14294	6.9
169.09972	5.1
171.11688	8.6
173.11748	30.1
173.13124	9.9
175.11192	14.8
177.12720	8.6
184.07391	5.9
185.13222	9.0
189.09126	5.7
189.11208	14.7
193.12219	11.0
199.07487	13.0
199.14914	6.4
217.08649	5.6
221.11700	19.8
231.21085	8.6
234.70166	4.8
236.16479	19.7
241.12320	8.3
241.19380	5.2
249.22101	18.7
254.17526	17.3
259.20560	10.0
263.10028	5.6
277.21643	81.0
282.17111	10.7
293.62625	6.4
295.15393	12.7
295.22772	67.6
313.11111	7.0
313.14606	24.0
313.18256	6.0
313.21478	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	313.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73596	0.6
55.05523	1.1
56.39634	0.5
56.96557	1.6
57.07066	0.8
61.02908	1.1
67.05494	2.2
69.07055	2.3
71.08629	0.6
79.05476	1.9
81.03421	0.7
81.07056	2.8
83.04977	0.6
83.08614	1.2
85.02920	0.7
91.05481	2.2
93.07053	2.7
95.04964	1.7
95.08605	1.9
97.02905	0.7
97.06523	2.6
97.10213	0.6
98.97625	1.0
105.07023	2.1
107.08556	1.4
107.44957	0.6
109.06515	0.6
109.10091	1.0
119.08614	1.8
121.06496	1.6
121.10152	1.8
123.09008	0.8
131.08540	1.3
133.10123	2.6
135.11682	0.6
137.05971	1.4
143.08534	0.9
145.10112	1.2
147.07961	0.7
147.11705	1.1
157.10144	1.6
173.13258	1.3
175.14824	0.9
193.12375	0.9
195.11432	0.6
195.57037	0.6
199.07512	0.8
209.11496	100.0
241.12250	0.9
267.66327	0.6
270.98816	0.6
293.88919	0.6
295.15247	1.0
295.22757	1.0
313.16290	9.6
313.21552	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01861	1.8
55.05511	28.0
56.05592	0.5
56.05848	6.6
57.03437	11.5
57.07075	13.3
58.03761	1.6
58.07416	3.8
67.05513	4.4
68.05828	0.9
69.07068	28.6
70.07407	9.3
70.72826	0.8
70.73228	1.0
71.08634	7.1
72.08955	2.5
73.02921	1.9
74.03215	0.5
79.05483	2.1
80.05798	1.2
81.07056	5.4
82.07396	2.1
82.47002	0.4
83.04971	0.7
83.08618	23.9
84.08955	10.7
85.10175	2.4
86.10487	1.0
91.05474	1.2
93.07046	3.0
93.85350	0.4
94.07400	2.1
95.08604	3.4
96.08965	2.0
97.06548	2.2
97.09552	0.7
97.10170	13.7
98.06852	0.5
98.10503	8.1
103.48373	0.4
105.81512	0.4
106.93689	0.5
107.08576	1.9
108.08921	1.1
109.10157	1.3
110.10489	0.5
111.08113	1.0
111.11721	3.9
112.08401	0.6
112.12062	2.6
121.10120	2.8
122.10453	2.3
123.11752	0.8
125.09655	0.7
125.13253	0.6
125.99982	0.4
126.09933	0.5
129.05475	0.5
135.11662	1.5
136.12012	1.5
143.61290	0.4
149.13249	0.7
150.13565	0.9
164.15192	0.5
220.21387	1.3
238.22476	0.7
307.36090	0.4
312.26138	100.0
312.36206	1.5
313.26871	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1806
Annotation	Phomaligin A
Peak:m/z	Relative Intensity
53.03945	1.1
55.01864	2.8
55.05522	5.6
57.03428	2.0
57.07077	1.2
67.05509	13.5
68.05857	1.6
69.03427	5.4
69.07068	4.9
69.76905	1.0
70.06581	3.1
70.49957	3.0
71.04995	2.1
71.08619	3.8
72.08949	1.8
79.05495	11.1
80.05029	1.2
81.03410	1.8
81.07053	15.3
82.06584	6.1
82.07378	1.9
83.04990	1.7
83.08615	3.7
84.04519	7.4
86.06074	22.3
87.04003	1.2
87.04475	11.5
91.05487	7.7
93.07050	13.6
94.07398	1.6
95.04982	2.7
95.08609	9.6
96.04488	1.6
96.08106	1.2
96.08945	3.9
97.02802	1.0
97.06519	3.0
98.06059	13.3
98.06721	1.6
98.97585	3.3
99.08090	3.7
105.07030	3.9
105.45784	1.0
106.07356	1.4
107.08582	7.6
108.08111	1.4
108.08916	1.3
109.06557	2.2
109.10141	2.8
110.06050	28.4
110.06786	2.3
110.09633	1.1
111.08100	2.0
112.07611	1.3
117.07036	4.2
119.08584	3.5
121.06532	1.8
121.10167	8.9
122.09661	2.0
124.07618	5.1
126.09162	3.2
129.07011	1.2
131.08577	3.3
133.10143	1.8
134.05957	1.5
134.10484	1.7
135.11697	7.8
136.07582	1.7
138.09151	3.4
140.10719	3.9
141.20760	1.1
145.10136	23.2
150.09146	24.6
152.07097	1.1
155.08574	2.8
158.99663	1.3
162.09187	2.3
162.12769	1.3
163.11188	39.9
164.10739	1.7
166.08640	6.5
173.09598	6.8
174.09149	3.7
176.07068	1.6
178.08646	56.5
180.13803	4.7
190.12267	3.7
191.10716	7.1
192.10263	2.6
197.57697	1.0
206.15297	1.5
208.13341	18.9
210.14958	1.1
226.14317	1.4
230.15408	16.6
238.14531	1.5
240.13867	1.8
248.16470	13.5
258.14902	26.6
266.17542	46.7
266.22076	4.6
276.15967	47.2
276.20563	3.4
294.17020	29.3
294.20724	1.7
312.18069	100.0
312.22058	4.6
313.07104	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	312.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24358	1.3
53.03939	3.1
54.94501	1.5
55.01859	3.2
56.96567	2.8
57.03434	7.1
59.04983	1.5
61.02934	8.1
64.51094	1.4
67.05491	3.6
69.03141	1.4
69.03432	15.9
69.07066	13.6
70.06581	5.1
71.04980	4.1
71.26502	3.1
73.02904	4.9
73.06565	2.3
79.05514	3.0
80.04577	1.9
80.05021	29.5
81.03431	7.4
81.07043	2.5
82.06577	2.8
84.08127	2.2
85.02908	87.0
87.04465	3.2
87.08106	7.8
91.03947	5.5
91.05466	5.6
93.07030	5.0
94.06573	8.7
95.04954	1.8
97.02890	23.0
98.97578	3.3
99.04443	3.9
103.05481	1.3
105.07020	5.1
106.06554	6.9
106.75449	1.2
107.04942	2.0
107.08591	2.4
108.08109	4.5
108.97564	1.9
109.02862	7.4
115.03025	1.3
115.05458	22.9
117.05741	7.9
117.07023	4.2
118.06544	22.6
119.07313	3.9
119.08566	1.5
120.08121	6.6
122.06051	8.2
127.03926	25.4
129.06978	5.1
129.10222	1.7
130.06526	30.4
131.04919	1.9
131.07248	2.1
131.08546	2.1
132.04474	2.1
132.08099	68.6
133.06445	1.4
133.08722	5.9
133.10097	1.3
134.06047	2.5
136.07588	2.6
137.06062	1.3
142.06467	3.8
142.07657	1.9
143.07341	2.1
144.08093	5.3
145.04959	42.1
145.08780	1.8
146.06015	2.5
146.09663	3.1
147.04504	1.5
149.05930	2.3
150.05504	34.8
150.09177	7.0
152.06221	1.7
154.06526	5.6
154.08611	1.7
155.07320	10.6
155.08482	2.1
156.08115	8.8
157.10101	3.8
158.09662	8.2
160.07614	2.9
160.11279	1.6
162.05417	1.6
163.06033	12.1
163.07323	2.5
167.07262	1.5
167.08563	4.2
168.06691	2.5
168.08072	4.9
169.08897	13.4
170.06021	2.2
170.09605	4.8
172.11285	1.6
174.12788	17.8
176.07077	1.6
176.10718	3.3
177.00526	1.5
177.09114	1.9
180.08347	1.4
182.09653	2.2
183.06793	4.6
184.11220	80.5
185.09647	1.4
185.11974	2.8
186.09088	2.2
188.07104	2.5
190.08498	1.7
194.09555	2.1
197.08366	2.0
202.08662	1.4
202.12289	21.0
204.10233	5.6
212.10707	41.4
216.10260	2.2
216.13974	2.4
218.11720	2.6
230.11809	10.5
234.14888	3.8
244.13339	100.0
250.08560	2.0
256.06992	1.4
262.14392	34.2
276.15939	3.9
280.15411	2.0
280.20123	4.0
294.17032	11.4
295.13513	1.5
312.09283	1.7
312.18124	23.9
312.21848	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	312.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01847	2.0
55.05518	2.0
56.96569	1.3
57.03425	4.8
59.20100	1.3
61.02929	7.2
63.65093	1.1
64.00790	1.1
67.05497	3.3
69.03428	12.2
69.07078	9.9
70.06586	3.2
70.20854	5.3
71.04980	2.4
73.02914	3.8
79.05476	2.7
80.05016	23.4
81.03400	5.0
82.06583	1.8
84.08128	2.8
84.41705	1.2
85.02908	76.0
86.09702	2.0
87.04448	2.9
87.08102	16.9
91.03961	5.9
91.05481	4.8
93.07028	3.4
94.06561	7.1
95.04971	1.9
97.02894	19.5
98.06029	1.3
98.97596	1.8
99.04433	3.4
100.30271	1.2
105.07056	2.6
105.09146	1.4
106.06530	3.9
107.08635	2.1
108.04462	1.4
108.08103	4.1
109.02877	4.6
115.03905	1.7
115.05452	18.0
115.07570	1.4
117.05749	8.0
117.07005	2.9
118.06548	18.9
119.07314	2.2
119.08574	1.8
120.08082	4.0
122.06007	4.5
127.03915	20.4
128.06218	1.7
129.06990	4.8
130.05606	1.6
130.06534	25.7
131.04918	2.3
131.07382	1.3
131.08522	1.8
132.04497	1.9
132.08096	56.7
133.06473	1.8
133.08684	4.7
136.07582	1.9
141.06914	1.5
142.06384	1.3
142.07724	2.4
143.08446	1.7
144.08081	3.9
145.04965	42.3
145.06180	2.2
145.08812	1.6
146.06038	2.4
146.09612	2.8
150.05476	3.7
154.06485	4.6
155.07355	9.5
156.08049	4.5
157.10135	4.4
158.09622	5.2
160.07581	2.2
160.11194	2.4
162.05460	1.7
163.06049	11.6
163.07407	2.3
164.06966	1.4
164.10658	2.1
167.07291	1.5
167.08597	4.2
168.08070	4.9
169.08893	11.9
170.05957	2.3
170.09656	3.6
172.07590	2.8
174.09224	2.3
174.12796	11.8
176.10649	1.7
177.09091	1.8
183.06754	3.7
184.07608	2.8
184.09575	2.9
184.11221	59.1
185.11888	2.7
186.09142	2.3
186.12709	1.7
188.07079	3.3
194.09573	2.0
202.12288	19.7
204.10182	3.0
212.10703	37.8
216.13832	1.7
218.11810	1.5
220.13322	1.6
221.31714	1.2
230.11783	8.2
234.14944	2.6
236.12843	1.7
244.13336	100.0
262.14395	34.1
276.15945	2.2
290.73148	1.3
294.17081	9.9
295.13916	1.3
312.18204	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	312.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16208	1.0
53.03940	2.0
55.01869	2.7
56.77129	1.0
57.03421	5.2
61.02699	0.9
61.02933	11.8
64.83293	1.0
67.05507	2.3
69.03438	18.6
69.07064	12.8
70.06595	3.3
70.26559	4.8
71.04987	2.1
73.02896	3.4
80.05020	10.7
81.03424	8.4
83.04975	1.5
84.08150	4.3
85.02910	100.0
86.09674	2.4
87.04467	5.3
87.08109	17.9
91.03957	9.0
91.05466	2.2
93.07022	1.4
94.06561	4.0
95.32351	1.2
97.02895	25.1
98.97568	2.9
99.04449	4.4
105.07016	4.3
105.09155	2.1
106.06563	2.3
108.08078	1.3
109.02895	8.0
115.05461	8.2
117.05768	2.1
117.06934	1.1
118.06552	7.4
119.66302	1.2
120.08120	2.9
122.06039	2.4
127.03917	27.9
129.06970	3.0
130.06538	11.3
131.04956	1.5
132.08098	25.8
133.08655	6.9
144.04443	1.6
144.08057	2.3
145.04965	51.6
150.05492	5.4
154.06476	1.3
155.07263	3.5
156.08052	3.9
157.10143	3.6
158.09630	1.9
160.07591	1.3
160.11281	1.8
163.06050	15.1
163.07387	2.2
167.08572	1.5
168.08075	2.2
169.08841	7.2
169.10132	1.2
170.06046	1.5
170.09692	1.3
172.07504	1.8
174.12784	6.4
176.07133	1.9
182.09666	1.3
183.06842	2.1
184.07585	1.5
184.11230	31.8
194.09521	1.6
202.12262	9.6
204.10262	3.7
212.10732	17.7
216.13998	2.0
230.11792	5.4
234.14973	1.7
236.12860	2.3
244.13350	51.9
262.14413	17.9
294.16946	5.1
295.13934	1.4
312.18152	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	312.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17507	4.6
51.03972	4.5
56.96560	11.3
57.03424	5.4
61.02921	11.7
61.41523	4.6
67.05507	9.1
69.03421	21.7
69.07072	29.6
70.06580	21.3
71.55701	4.6
71.56152	6.2
72.08131	7.0
73.02936	7.2
79.05502	7.5
81.03404	7.2
81.07042	9.4
84.08142	21.1
85.02904	53.6
86.06044	5.0
86.09740	8.4
87.04478	8.8
87.08112	24.6
91.03864	5.0
91.05510	8.4
95.04962	5.8
97.02898	16.0
97.06521	5.6
98.97574	23.3
105.07052	5.0
109.02890	5.9
110.06046	16.8
110.07176	5.9
111.06347	7.6
115.07570	39.2
116.98652	9.5
121.06530	5.3
127.03878	11.1
128.06241	6.7
132.04448	100.0
132.08075	6.7
133.08595	10.1
137.05975	7.0
143.08554	7.2
145.04970	21.5
149.06000	6.0
150.05455	11.2
160.11183	9.7
161.09544	5.0
162.05444	11.0
163.07588	5.3
170.09698	6.8
173.08351	6.5
175.58356	4.7
178.05785	13.5
183.06850	9.8
184.07587	4.9
187.06152	8.9
187.07629	8.7
188.07063	6.8
188.10689	34.4
192.07281	5.8
198.09143	20.5
200.10677	7.3
201.07669	7.3
204.10149	5.5
215.05786	16.4
216.06764	10.3
216.10205	94.5
222.08473	7.6
230.11688	22.8
237.02826	6.2
244.09702	47.9
248.12813	8.3
262.10870	16.0
276.12219	38.3
289.09756	7.4
294.13245	30.7
312.11554	14.4
312.14474	28.1
312.17938	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	311.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01881	3.2
55.05513	31.3
56.96568	9.1
57.03436	4.6
57.07083	14.7
59.05014	1.4
62.45749	1.3
65.03941	2.1
67.05508	35.5
68.10268	1.4
69.03429	3.8
69.07069	57.7
70.29492	2.5
70.29882	3.0
71.04987	3.7
71.08626	6.5
73.55051	1.3
79.05491	22.4
81.03419	2.7
81.07059	100.0
83.04996	3.8
83.08622	33.5
85.02915	2.0
85.06551	17.4
85.10166	4.6
86.09716	2.0
86.62767	1.3
91.05486	11.5
91.16727	1.5
93.07040	22.4
94.07377	1.5
95.04970	4.4
95.08611	90.5
96.08993	1.2
97.02887	1.8
97.06533	14.6
97.10171	23.2
98.21371	1.4
98.97608	7.5
99.04422	1.6
99.08098	14.2
105.07052	8.8
107.04948	2.4
107.08599	17.8
109.06522	3.9
109.10161	48.2
111.08083	4.9
111.11726	11.5
113.09670	3.0
116.98617	3.5
117.06992	2.7
119.08607	7.3
121.06541	2.1
121.10142	15.5
123.08102	2.4
123.11707	25.8
125.09658	3.0
125.13269	6.6
127.11195	1.3
128.06203	2.0
128.98624	1.5
129.07025	2.5
131.08575	4.5
133.06496	1.4
133.10146	5.9
135.08084	2.9
135.11682	9.3
137.05984	2.5
137.09625	2.1
137.13266	12.2
139.11148	1.7
141.06987	2.1
143.08476	2.9
143.14284	1.6
145.06502	2.0
145.10120	4.2
147.08037	1.7
147.11745	3.9
149.09630	2.4
149.13268	12.6
151.11195	1.9
151.14845	8.4
153.12683	1.3
157.10130	3.3
158.99684	1.8
159.11690	2.6
161.13228	2.8
163.11162	2.3
163.14818	7.7
165.06960	1.5
165.16403	4.8
167.08519	1.8
169.06508	1.7
169.10078	1.9
173.13306	2.2
176.03320	2.0
177.00764	2.4
177.16400	2.4
179.17949	3.1
183.08130	1.7
183.11694	1.6
187.07550	2.4
189.11084	1.5
197.06033	1.7
199.07607	3.5
211.07558	2.0
211.11223	2.0
213.07739	1.7
215.07053	2.3
215.10628	2.5
219.13840	2.4
219.21066	1.6
221.09668	1.5
231.09062	2.9
239.10710	1.6
249.25804	2.0
266.21173	2.0
267.10168	1.8
267.13837	1.9
269.10510	1.7
275.20056	12.6
275.27328	5.8
276.12711	1.4
279.09183	1.7
281.28516	2.7
293.03296	1.6
293.15427	2.0
293.21100	2.4
293.28418	8.4
294.20758	3.8
297.10178	2.6
311.05560	3.6
311.12717	16.7
311.16467	10.4
311.29431	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	311.258
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
55.01871	33.1
55.05507	25.5
57.03415	2.5
57.07074	9.2
60.09372	2.2
64.01626	1.8
67.05184	3.2
67.05505	41.2
69.07069	59.8
70.85552	1.9
70.85862	3.1
71.04974	5.2
71.08630	49.4
74.80533	2.0
76.14460	2.1
79.05494	23.3
81.07055	50.9
83.04994	12.6
83.08616	34.1
88.82661	1.9
89.05153	1.9
91.05478	13.8
93.06486	2.2
93.07053	32.4
95.08607	39.9
97.06523	10.7
97.10165	10.7
99.08093	35.9
105.07002	6.8
107.08596	24.7
109.10164	20.4
111.08084	5.5
111.11694	3.0
113.09622	3.4
119.08603	9.1
121.10148	23.2
123.11676	11.5
125.09595	3.3
131.08545	7.6
133.10130	5.6
135.08012	4.2
135.11703	21.1
137.09613	4.6
137.13232	9.0
139.11179	2.4
145.10117	5.5
147.11710	21.6
149.09581	5.2
149.13245	7.7
151.14825	4.4
153.09077	4.0
153.12750	41.1
155.10738	2.5
159.11679	3.7
161.13283	2.9
163.11179	5.7
163.14798	7.8
165.12752	6.2
165.16367	3.1
167.10664	3.8
167.14359	2.8
173.13249	5.7
177.16379	4.5
181.12184	3.9
181.15880	6.9
187.14716	2.8
191.14377	1.9
195.13751	2.2
209.11787	2.6
219.21046	4.7
223.17015	2.1
225.72839	1.7
233.22504	9.9
243.21010	17.9
251.23708	5.6
261.22137	28.6
279.23181	100.0
295.17099	2.0
311.25745	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	311.2369
Annotation	14'-apo-beta-Carotenal
Peak:m/z	Relative Intensity
52.38371	2.3
53.03939	9.4
55.01876	4.3
55.05515	22.6
57.03434	5.9
57.07077	7.2
60.05082	2.3
61.26709	2.5
61.67949	2.6
61.85662	2.4
62.74588	2.1
67.05510	37.6
69.07071	57.8
70.72356	6.8
71.05011	4.2
79.05489	26.7
81.03423	5.6
81.07057	38.3
83.05023	3.8
83.08600	13.9
91.05480	37.5
93.07047	98.2
93.07639	5.6
95.04974	67.2
95.08610	100.0
97.06525	27.8
97.10175	5.5
103.05455	5.5
105.04646	2.5
105.07034	67.1
107.08595	56.3
109.06513	18.4
109.10159	31.0
111.11757	2.5
115.05461	4.1
117.07024	21.4
119.08591	73.8
121.06519	17.9
121.10155	52.8
123.08082	24.3
123.11717	17.9
129.07028	5.8
130.07809	6.6
131.08572	25.1
133.10144	41.9
135.04460	5.2
135.08075	13.0
135.11667	13.3
137.09631	4.6
137.13274	4.6
141.07004	3.1
142.07796	7.2
143.08571	11.2
144.09360	4.5
145.10124	37.9
147.08098	2.6
147.11700	26.1
147.78220	2.5
149.09633	5.9
149.13249	3.8
155.08566	4.4
156.09360	4.9
157.10144	31.7
158.10838	3.0
159.11687	51.0
159.12875	4.5
161.09645	10.5
161.13210	14.2
163.11151	3.9
163.14822	2.9
169.10182	10.4
171.11665	15.2
173.09637	3.7
173.13309	7.2
175.11214	2.7
175.14801	14.1
177.16345	21.1
179.08681	3.7
183.11638	7.9
185.13312	7.3
187.11218	5.5
187.14818	7.1
189.16348	14.0
195.11676	5.6
197.13235	8.2
199.14816	6.6
201.16414	10.3
203.17967	8.0
209.11674	6.9
209.13400	5.0
211.14839	7.6
213.16284	5.8
215.17955	10.0
219.17494	6.7
223.14783	6.4
227.18025	3.3
231.17416	2.9
237.11310	3.8
237.16344	4.3
239.18118	2.5
241.15799	3.0
241.19662	2.5
255.21111	5.2
283.24054	2.5
293.22644	8.1
311.23621	33.4
311.26678	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	311.2216
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03927	0.5
55.01861	1.4
55.05270	0.5
55.05511	7.0
56.88174	0.5
57.03424	0.8
57.07062	2.0
60.00062	0.5
67.05501	8.2
69.03408	0.7
69.07069	3.8
70.99863	0.5
71.00195	1.2
71.04986	1.0
71.08632	9.0
73.98392	0.5
76.70987	0.5
79.05489	5.5
81.07052	7.6
83.04966	1.8
83.08611	2.4
85.06535	0.7
91.05488	2.8
93.07037	4.2
95.04959	2.1
95.08603	6.0
96.64016	0.6
97.06505	1.4
97.10159	4.6
99.08086	4.7
105.07024	4.9
107.04975	2.3
107.08587	3.7
108.05716	0.6
109.06507	1.7
109.10142	2.6
111.04444	0.9
117.07018	1.2
119.08568	1.8
121.06502	2.3
121.10166	1.5
123.11682	0.6
125.09634	3.0
126.32652	0.5
129.60368	0.5
131.08574	2.3
133.10147	2.1
135.08049	1.0
135.11678	1.1
145.10098	1.4
147.11674	1.0
149.13298	0.6
151.11160	0.8
153.09125	0.5
157.10095	0.6
159.11713	0.8
163.11227	0.6
165.12726	2.4
167.10541	0.5
171.11765	0.5
173.13144	0.6
177.12715	1.0
177.39966	0.6
181.12225	0.7
189.11224	1.2
191.10669	0.8
195.13815	0.6
204.45322	0.5
209.11723	4.4
232.82854	0.5
237.11201	3.5
237.14778	0.8
255.12268	0.7
257.19003	0.7
259.77911	0.5
265.21524	0.6
275.20035	6.0
279.23102	0.9
293.21091	100.0
294.21432	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03946	4.2
55.01878	13.7
55.05516	26.7
57.03421	6.0
57.07081	9.0
67.05508	59.1
68.05842	2.0
69.07070	27.7
71.00580	3.3
71.00910	1.9
71.04990	6.7
71.08636	3.0
79.05492	27.7
80.05829	2.0
81.03406	7.4
81.07062	50.2
82.07368	1.9
83.04982	9.9
83.08624	13.7
85.06538	6.2
85.10172	2.8
90.72759	1.8
91.05479	34.5
93.07052	30.2
95.04969	14.0
95.08608	37.7
96.08949	1.8
97.02873	3.3
97.06548	5.1
97.10164	7.2
99.04456	3.3
99.08104	4.6
100.43615	1.7
105.07032	37.1
107.04931	7.3
107.08597	34.6
109.06521	7.0
109.09464	3.3
109.10155	41.6
110.10484	2.4
111.04478	8.9
111.08083	6.3
113.09641	5.6
117.07017	6.9
119.08590	15.9
121.06503	9.2
121.10145	14.4
123.08051	6.7
123.11704	10.3
125.03845	2.4
125.05986	4.0
125.09615	6.8
129.07004	2.0
131.08542	10.2
133.10147	54.6
135.04424	100.0
135.08032	4.3
135.11693	10.3
137.09639	12.7
145.10127	9.2
146.07259	2.5
147.11703	5.6
149.09593	6.7
149.13286	3.9
151.11194	29.2
153.09102	2.0
153.12784	2.8
159.11688	6.8
161.09628	49.5
161.13257	4.3
163.11227	9.6
165.12770	2.7
167.10681	4.5
169.12218	8.2
173.13223	3.2
177.12735	4.8
179.10725	2.6
181.12236	3.0
187.11140	2.3
191.14331	2.5
195.13858	2.7
197.11722	2.8
201.12639	2.6
209.11830	4.1
215.12802	3.2
229.19528	4.4
237.11356	2.6
239.17976	3.0
247.20566	13.4
257.19150	9.1
265.21634	4.7
275.20065	58.3
279.22263	5.2
293.21130	77.0
311.12732	2.0
311.16418	4.9
311.22269	4.4
311.25537	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	311.2215
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
52.48647	0.8
53.03944	2.6
55.01874	4.8
55.05510	18.7
57.03438	3.2
57.07072	6.9
58.64919	0.8
65.03931	1.3
67.05505	34.9
69.03427	1.4
69.07068	18.8
69.86847	3.7
71.04986	3.5
71.08628	3.0
73.91620	1.0
74.02930	0.7
79.05493	16.7
81.03426	3.5
81.07056	34.9
83.04962	7.1
83.08620	12.4
85.02887	1.2
85.06540	4.4
85.10188	3.1
91.05479	11.9
93.07043	20.8
95.04974	9.5
95.08610	25.8
95.09170	0.9
97.02901	2.9
97.06532	5.5
97.10152	5.0
99.04462	3.9
99.08100	3.6
105.07029	13.8
107.04959	3.6
107.08598	18.1
109.06516	5.5
109.10160	20.9
110.46648	0.7
111.04442	16.1
111.08078	3.0
113.06023	0.8
113.09634	2.4
117.07026	3.4
119.08575	8.4
119.26129	0.8
121.06505	4.5
121.10146	10.2
123.04465	1.1
123.08051	5.2
123.11716	5.7
125.05988	1.7
125.09643	4.3
127.07523	1.1
129.07019	1.3
131.08571	6.4
133.10130	15.7
135.08038	2.9
135.11694	10.0
137.06029	1.1
137.09618	6.2
137.13255	1.4
139.07561	0.9
139.11188	2.1
141.09137	1.3
143.08556	1.5
145.10139	7.3
147.08051	1.5
147.11658	4.0
149.09628	8.9
149.13254	3.3
151.11191	7.9
153.12781	5.3
155.10643	1.0
157.10178	1.2
157.66185	0.8
159.11679	4.6
161.09673	1.5
161.13258	1.3
163.11212	7.6
163.14813	1.0
165.09132	1.8
165.12782	1.8
167.10686	2.6
169.10114	0.9
169.12268	2.8
171.11642	0.9
173.09598	1.8
173.13303	1.7
175.11194	1.2
177.12801	4.6
177.16399	1.0
179.10719	1.3
179.14285	0.8
181.12277	2.8
183.10135	1.9
187.11192	1.7
187.14777	1.2
189.11267	0.9
191.14343	1.6
193.12331	1.2
195.13858	1.2
205.12247	1.6
205.15933	0.8
205.19514	1.4
207.13820	1.3
209.11702	4.6
219.13811	1.4
219.21153	1.1
223.13310	4.4
223.20671	1.2
229.19565	3.6
237.11194	3.0
237.21805	1.0
239.18021	1.6
247.20590	10.7
257.18985	5.3
265.21664	8.9
269.10580	0.9
275.16946	1.4
275.20068	42.0
293.21106	100.0
311.22083	6.9
311.25320	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03931	0.6
55.01869	1.9
55.05513	12.1
57.07068	1.0
59.04981	0.4
63.07808	0.3
65.03958	0.4
67.05511	5.9
69.03417	1.2
69.07063	5.6
71.05009	0.6
71.08633	8.0
71.26057	0.6
71.90929	0.4
76.93258	0.4
79.05494	5.4
81.03413	1.0
81.07051	6.7
82.88738	0.4
83.04982	1.8
83.08620	5.7
85.06531	0.7
89.69713	0.3
91.05477	2.6
93.07050	3.9
95.04977	2.7
95.08617	3.5
97.06487	0.5
97.10168	8.7
99.08093	5.3
105.07036	2.7
107.04962	2.1
107.08592	4.2
108.05725	1.1
109.06541	1.8
109.10161	2.6
111.04427	0.7
111.08059	1.1
113.09647	0.4
117.07038	0.9
118.77016	0.5
119.08571	1.2
121.06493	3.7
121.10122	1.0
123.08015	1.1
123.88942	0.4
125.05917	0.4
125.09622	5.9
127.76299	0.3
131.08546	0.9
133.10110	1.6
135.08035	0.9
135.11697	1.1
137.09598	0.5
145.10126	1.1
147.11705	0.6
149.09589	0.9
149.13239	0.4
149.80421	0.4
151.11176	2.3
153.05429	0.5
153.09108	0.6
157.10152	0.4
159.11649	0.6
163.11171	1.0
164.11961	0.8
165.12749	1.6
167.10652	0.6
177.12779	1.9
189.11209	2.9
191.10641	0.5
191.14215	0.4
193.12196	0.7
195.13824	0.5
209.11668	1.9
211.13264	0.9
237.11215	1.7
237.14891	0.9
247.20453	0.5
255.12416	0.4
257.19009	1.4
264.93277	0.4
265.21588	0.7
275.20044	6.9
293.21112	100.0
294.21591	1.0
311.21756	0.4
315.04465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03934	1.3
55.01863	3.3
55.05513	13.1
57.07072	2.4
59.81124	1.2
67.05506	14.0
69.03426	1.6
69.07067	9.5
70.16872	1.1
71.08636	10.8
71.56329	1.8
79.05508	6.8
81.03406	3.2
81.07066	12.5
83.04949	2.0
83.08619	6.3
85.06509	1.2
91.05470	4.7
93.07053	9.8
95.04939	3.0
95.08622	8.5
97.06550	2.5
97.10173	9.8
99.08071	5.5
105.07032	4.5
107.04934	2.1
107.08606	6.1
109.06528	3.0
109.10149	6.5
111.04451	1.5
117.07000	2.5
119.08572	3.1
121.06527	6.2
121.10111	4.4
123.08054	2.8
123.11714	2.9
125.09636	7.1
131.08554	2.5
133.10124	4.8
135.08076	2.3
135.11665	3.1
137.09615	2.9
139.11290	1.4
145.10162	2.8
147.11717	2.2
148.43161	1.1
149.09616	1.7
149.13234	1.2
151.11208	2.3
153.05493	1.4
159.11673	2.0
163.11249	2.1
165.12749	2.4
173.13243	1.1
177.12770	3.1
189.11186	2.5
201.10115	1.4
209.11705	4.4
237.11237	5.7
247.20535	2.5
255.12189	1.6
257.19022	3.2
265.21823	1.2
275.20059	17.6
293.21118	100.0
311.12610	1.2
311.22083	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03944	4.7
55.01862	10.3
55.05512	22.8
57.03436	4.4
65.03941	4.0
65.09812	4.0
67.05508	59.4
69.03432	36.2
69.07077	26.2
69.80104	25.3
79.05502	37.8
79.39743	4.0
81.07055	86.2
83.04966	8.5
83.08629	13.2
85.06564	5.5
90.53088	4.1
91.05486	36.9
93.07069	31.9
93.07607	5.3
95.04972	10.3
95.08607	45.3
97.06544	10.9
97.10175	8.2
99.08071	5.0
105.07043	43.2
107.04961	5.2
107.08590	27.8
109.06512	19.8
109.10169	26.0
111.08068	9.2
112.78881	4.6
116.95366	4.4
117.07030	8.8
119.08583	28.8
121.10138	21.0
123.08073	13.2
123.11704	15.8
125.09588	4.9
131.08562	16.2
132.33836	3.7
133.03539	4.2
133.10120	44.0
135.08075	7.3
135.11685	8.2
137.09625	7.1
145.10109	14.5
147.11708	25.1
149.09641	9.3
149.13255	5.3
151.11234	16.2
159.11766	10.9
161.13223	5.2
163.11194	10.8
165.12735	6.0
173.13208	5.5
179.10779	4.9
188.05428	4.2
195.13698	5.6
197.13307	4.7
209.11880	8.2
235.17024	20.4
239.17937	6.9
257.18982	17.3
265.21628	6.6
275.20013	100.0
286.89645	5.2
293.20908	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	311.2215
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
55.01866	5.7
55.05516	23.3
57.03418	7.5
57.07071	4.9
57.93966	2.3
60.98309	2.5
62.73300	2.3
65.03948	3.0
67.05508	45.9
69.03436	5.5
69.07069	26.3
69.20989	5.3
69.21394	19.0
79.05487	29.8
81.03408	3.8
81.07063	62.9
83.04971	8.2
83.08615	15.4
84.61909	2.3
85.02869	2.1
85.06527	5.1
91.05486	30.6
93.02188	2.3
93.07055	37.4
95.04969	9.8
95.08607	40.9
97.06513	8.4
97.10159	5.7
99.08068	4.0
103.05478	2.3
104.02363	2.4
105.07037	28.9
107.04971	5.1
107.08586	22.7
109.06506	10.4
109.10168	25.1
111.08087	6.9
116.66896	2.2
117.07024	11.5
119.08600	26.7
121.06492	5.9
121.10145	11.2
123.08066	9.6
123.11704	7.3
125.09650	6.1
129.06931	3.1
131.08568	15.7
132.57373	2.5
133.10123	32.4
135.08055	3.7
135.11720	7.3
137.09610	7.8
138.94193	3.0
139.11145	3.3
143.08565	5.2
145.10156	14.4
147.11694	17.2
149.09625	16.1
149.13268	3.2
151.11189	6.6
155.10681	4.0
157.10158	5.5
159.11702	10.7
161.09662	4.4
161.13266	6.0
163.11186	11.4
164.79291	2.5
165.12814	3.2
169.10133	2.8
173.13217	4.9
175.11124	4.9
177.12633	4.5
185.13263	3.0
191.10603	2.4
195.13734	3.5
196.99020	2.5
209.11746	6.8
221.15782	2.4
223.13268	6.0
229.19431	3.7
235.17015	2.5
237.11281	5.7
239.18065	6.0
247.20607	4.4
255.12332	2.8
257.18970	15.1
265.21692	5.3
275.20090	100.0
288.79993	2.5
293.20969	32.7
311.22119	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	311.2216
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03949	2.6
55.01875	11.9
55.05514	30.7
57.07078	30.1
61.95343	1.9
64.03730	1.7
66.85645	1.6
67.05511	21.7
69.03434	4.3
69.07082	11.8
69.84718	1.5
69.89867	3.3
69.90288	6.3
71.04996	3.6
79.05498	21.2
81.03413	5.3
81.07063	18.0
83.04980	17.0
83.08624	23.6
85.02901	3.3
91.05473	12.7
93.07053	24.4
95.04975	43.0
95.08631	13.0
97.06550	6.3
97.10170	12.4
98.20767	2.0
99.04462	5.0
105.07040	10.8
107.04939	8.5
107.08599	29.3
109.02902	3.3
109.06523	6.6
109.10146	9.4
111.04453	44.8
111.08086	6.6
117.07018	6.1
119.08608	11.9
121.10145	14.4
123.08097	3.5
123.11674	2.4
125.05988	7.5
125.09647	15.6
126.42854	1.7
129.07040	2.1
131.08577	10.7
133.10135	9.3
135.04446	3.3
135.08098	3.7
135.11697	7.0
137.09671	2.0
139.11168	2.5
143.08504	2.0
145.10126	15.6
147.08069	2.7
147.11688	5.2
149.09630	28.6
151.11124	2.0
151.47694	1.6
153.05484	21.8
153.09012	2.4
153.12703	4.9
155.10638	2.0
159.11725	6.3
163.11182	24.9
171.10199	5.9
177.12781	2.2
181.04984	6.3
181.12242	15.0
187.11246	2.2
189.11238	17.9
191.10696	13.0
193.12241	2.6
203.43416	2.0
205.12129	2.2
209.11745	100.0
223.13300	53.0
227.12720	1.8
229.19553	2.7
235.17049	3.5
237.11224	99.3
239.17966	2.3
243.27750	1.8
254.76624	1.9
255.12288	24.9
257.19040	6.8
275.20084	60.1
293.17612	9.7
293.21091	64.8
311.18521	12.7
311.22180	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	311.2215
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
50.52585	3.1
53.03945	4.7
55.01854	12.3
55.05513	41.2
56.96552	6.4
57.03425	14.2
57.07066	6.4
59.04999	5.1
63.42577	2.9
67.05505	100.0
69.03429	7.9
69.07075	31.2
71.01357	3.9
71.04970	12.6
71.08632	4.3
71.56556	4.8
79.05064	5.6
79.05491	68.2
80.05785	3.8
81.03409	14.9
81.07065	90.7
82.07386	3.1
83.04970	12.6
83.08608	25.7
84.46661	3.6
85.02905	6.7
85.06549	8.4
91.05482	73.0
93.07043	74.1
95.04954	15.4
95.08611	67.1
97.02921	4.4
97.06537	45.0
97.10169	24.8
98.97532	4.2
99.08084	8.8
103.05478	3.5
105.07031	56.5
107.04947	10.2
107.08595	41.1
109.06522	9.4
109.10145	49.7
111.04443	4.2
111.08070	10.3
115.03932	3.8
115.05444	6.1
116.46371	3.3
117.07040	24.5
119.08583	44.7
121.06502	10.3
121.10154	43.0
123.08061	11.9
123.11698	9.6
125.09634	16.3
128.06219	5.0
129.06982	12.6
131.08571	45.4
132.08885	4.4
133.06473	5.5
133.10114	44.7
135.08110	7.6
135.11745	20.4
137.05954	5.9
137.09608	12.5
139.11166	9.4
141.07045	16.9
141.57861	3.6
143.08588	8.2
145.06465	6.8
145.10146	24.4
147.08037	6.6
147.11662	18.9
149.09615	14.0
149.13255	9.3
155.08585	4.5
155.10686	7.6
157.10097	11.4
159.08067	5.2
159.11697	23.6
161.09576	3.7
161.13283	7.9
163.11163	11.4
169.06427	3.7
169.10104	6.2
171.11670	9.3
173.05940	7.2
173.11726	14.0
173.13223	13.1
175.11264	4.3
177.12744	8.6
179.14337	4.0
183.08121	4.2
183.11600	4.0
185.06029	3.6
187.07495	7.1
187.11201	8.1
189.11206	13.4
191.17995	4.9
197.13295	7.1
199.07486	9.1
201.16350	16.3
213.05486	5.1
213.09129	5.1
215.07027	7.8
215.10559	5.5
219.17389	21.3
223.13264	5.5
223.64400	3.9
225.05426	3.9
225.09023	3.8
229.07416	4.2
235.16885	5.7
239.17943	16.0
247.20480	5.1
257.19049	19.3
270.08655	14.6
271.12350	4.1
275.20044	68.1
279.12082	6.1
293.21149	31.3
311.12680	47.0
311.16049	13.6
311.19174	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	311.2215
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03934	6.2
53.57060	4.6
55.01862	17.2
55.05514	73.7
56.05854	7.4
56.96547	5.4
57.03427	13.2
57.07062	6.0
67.05505	86.2
68.05818	6.5
69.03411	10.0
69.07075	38.4
70.07375	4.8
71.04987	12.6
71.32954	10.4
72.38710	4.7
79.05492	71.2
80.05816	15.5
81.03414	19.5
81.07055	100.0
82.07391	24.1
83.04969	21.9
83.07714	5.1
83.08616	31.7
84.08951	10.8
85.02882	4.8
86.30779	5.2
91.05479	67.5
92.05812	5.6
93.07048	58.6
94.07372	11.3
95.04964	26.1
95.08608	45.5
96.05316	6.8
97.06525	37.8
97.10186	33.7
98.10493	6.1
99.08070	6.9
105.07032	63.8
106.07331	7.2
107.04926	11.7
107.08583	57.0
108.08917	12.1
109.06519	19.0
109.09447	4.8
109.10156	36.0
111.04424	9.8
111.08092	14.4
113.06037	6.9
117.07019	19.9
119.08580	31.9
120.86458	5.0
121.06500	9.7
121.10118	32.2
123.08055	12.0
123.11710	6.5
124.08439	11.5
125.09641	37.5
126.09972	9.0
129.07001	12.3
131.08598	29.3
133.10133	47.2
135.08035	9.4
135.11726	11.0
137.05925	8.9
137.09602	12.7
141.06964	9.2
145.10112	18.0
146.10464	4.9
147.07982	9.3
147.11681	10.9
149.09566	5.8
149.13232	5.2
155.10580	12.7
157.10141	10.8
159.11664	19.7
163.11142	15.4
164.11476	7.1
169.90347	5.4
171.11617	7.3
173.11723	14.5
173.13234	6.4
177.12759	9.5
181.12190	8.6
187.11206	7.0
189.11140	23.6
190.11513	10.2
201.12637	5.7
204.27524	5.6
215.07082	8.4
219.13773	6.2
239.17793	12.9
257.18951	8.3
275.20059	70.5
291.19592	8.5
293.20428	79.6
311.12805	22.7
311.16098	8.4
311.21130	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	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.62017	1.5
53.03952	2.7
55.01873	8.0
55.05514	33.2
55.74509	1.6
57.03435	5.0
57.07090	3.3
65.03942	1.7
67.05511	68.1
69.03437	5.7
69.07071	23.9
69.73323	4.0
69.73737	6.5
71.04991	4.4
79.05496	34.0
81.03436	4.3
81.07060	65.2
83.04993	9.3
83.08618	16.3
83.09660	1.8
85.06552	6.7
91.05486	27.7
93.07050	40.3
95.04974	6.8
95.08614	52.5
97.06544	10.1
97.10180	15.8
99.08063	3.8
105.07030	30.5
107.04959	3.7
107.08603	29.9
109.06508	8.1
109.09459	3.3
109.10159	33.9
111.08099	6.5
117.07049	9.7
119.08588	27.0
121.06544	3.6
121.10142	22.4
123.08079	5.6
123.11720	9.3
125.09631	14.4
129.07040	3.1
131.08583	16.2
133.10129	26.4
135.08025	6.0
135.10638	1.8
135.11696	12.6
137.09592	9.4
139.11162	4.3
141.06972	3.5
143.08589	4.4
143.82928	2.0
145.10132	17.2
147.08098	2.0
147.11670	13.7
149.09608	13.4
149.13312	4.1
155.10674	4.5
157.10147	4.2
159.11687	13.4
161.09607	2.0
161.13229	5.1
163.11220	9.6
165.12781	2.7
169.10066	4.0
171.11668	2.8
173.11745	9.4
173.13283	5.7
177.12704	2.4
183.11588	3.4
189.11237	11.8
193.98586	2.0
195.13904	2.1
197.13177	3.0
199.07468	2.3
201.16422	5.9
219.17442	3.4
223.13252	2.7
229.19572	3.5
233.15451	1.8
235.16951	4.4
239.17935	9.4
247.20616	4.3
257.19092	10.5
265.21686	2.7
275.20068	100.0
293.21152	24.2
309.51965	1.7
311.12704	7.2
311.16486	4.8
311.22287	7.6
311.29565	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	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03941	3.7
55.01862	6.5
55.05309	1.6
55.05511	16.7
56.05824	1.5
57.07069	2.4
67.05173	2.2
67.05505	28.0
68.85095	1.4
69.03404	2.7
69.07073	18.3
71.04974	3.2
71.07597	2.6
74.98679	1.3
79.05492	14.1
81.03404	7.7
81.07061	24.0
83.04970	5.0
83.08621	6.0
91.05483	10.6
93.07047	17.2
95.04967	8.4
95.08134	1.6
95.08619	16.1
97.06528	3.7
97.10150	4.7
98.10513	3.0
105.07027	16.4
107.04952	3.9
107.08607	13.2
109.06518	6.4
109.10149	10.6
111.08086	3.6
117.07011	5.6
119.08578	11.9
121.06477	6.8
121.10133	5.6
123.08058	4.9
123.11678	2.9
125.09642	3.6
125.23421	1.6
131.08568	9.1
133.06476	2.6
133.10159	12.2
135.08063	5.0
135.11678	5.3
137.09654	13.1
143.08569	3.3
145.06529	1.5
145.10136	8.5
147.08122	2.2
147.11719	7.4
149.09607	4.1
149.13251	1.9
151.11169	5.8
155.08621	1.4
158.61208	1.4
159.08015	2.0
159.11664	4.2
161.09650	2.6
161.13208	2.0
163.11171	4.1
173.09616	1.6
173.11818	2.0
173.13281	3.0
175.11197	1.6
177.12750	2.0
187.11105	1.6
189.11240	2.3
191.14240	2.0
207.13815	2.1
209.11775	4.2
219.13765	3.1
237.11287	2.8
239.17949	2.3
247.20552	2.1
250.93906	1.7
257.19034	10.9
275.20078	100.0
289.36005	1.6
291.19522	2.9
293.20978	59.1
331.15701	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03952	5.4
55.01873	14.0
55.05515	28.7
57.03445	3.7
57.07069	11.1
67.05508	49.5
69.03426	18.1
69.07069	24.1
70.56153	6.4
70.56487	3.8
71.04986	12.0
71.08632	11.3
79.05492	31.9
81.03432	18.1
81.07059	63.8
82.07430	2.5
83.04997	13.9
83.08617	14.4
85.02913	11.0
85.06537	3.7
91.05481	35.4
93.07045	37.6
95.04974	28.7
95.08611	65.4
97.06525	15.3
97.10167	5.2
98.97584	6.5
99.04421	3.0
99.08081	8.4
104.62891	2.6
105.07027	27.4
107.04943	15.1
107.08611	26.9
109.06506	12.3
109.10162	28.3
111.04433	18.6
111.08080	11.1
117.07048	10.1
119.08582	22.6
121.06511	6.3
121.10143	17.9
123.08081	11.4
123.11696	6.9
125.09602	3.7
129.06993	3.1
131.08545	12.9
133.10133	38.1
135.08046	4.6
135.11714	8.5
137.09610	14.0
145.06488	3.2
145.10139	11.3
147.11691	11.9
149.09607	15.4
151.11200	16.3
153.05392	6.2
155.08623	2.7
155.10663	28.0
157.10106	3.3
159.11710	9.9
161.09747	3.9
161.13326	3.6
163.11224	13.3
165.12798	3.3
168.04393	3.0
169.12262	3.8
172.85191	2.8
173.13216	4.1
175.11082	3.5
177.12758	6.1
179.14284	5.4
181.12236	4.0
183.11765	3.2
183.13748	3.1
187.11224	3.4
191.10728	4.5
191.14354	2.7
195.13843	3.7
209.11746	37.2
221.15401	8.0
223.13300	21.7
229.19510	6.0
235.16988	10.1
237.11215	31.7
237.14812	3.0
239.17979	4.1
241.14290	2.7
247.20587	5.6
251.16713	3.0
251.19899	3.9
255.12248	7.4
257.19083	8.6
275.20071	69.3
293.17889	3.9
293.21091	100.0
311.18509	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	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03946	2.7
54.04797	2.3
55.01865	8.9
55.05514	29.4
56.96569	4.8
57.03421	6.7
57.07075	2.5
65.03947	1.7
67.05508	51.7
69.03421	7.2
69.07069	14.6
70.22923	7.3
71.04995	12.4
71.08636	42.1
72.75938	1.8
73.02893	2.5
79.05497	18.0
79.05916	2.9
81.03416	10.3
81.07070	21.9
83.04979	17.2
83.08617	12.4
85.02907	14.9
85.06536	3.6
91.03936	4.2
91.05483	20.8
93.07052	31.2
95.04966	17.5
95.08611	75.5
97.02893	2.3
97.06537	8.0
97.10162	8.4
99.04458	4.5
99.08097	29.8
102.36451	2.1
105.07030	11.1
107.08588	11.7
109.06525	7.1
109.10162	46.2
111.04432	2.3
111.08076	5.3
113.06001	6.5
117.07003	4.8
119.08603	18.2
121.10137	8.0
123.08065	7.2
125.09642	8.1
127.11164	4.6
130.37914	2.4
131.08569	7.6
133.10146	14.9
135.08087	3.5
135.11618	3.0
137.05966	6.0
137.09624	21.6
139.11206	28.5
141.54044	1.9
143.08644	2.8
145.10176	3.5
147.11726	4.0
149.09621	7.0
149.13237	2.1
151.11185	31.4
155.08612	2.5
155.10686	58.7
159.11674	8.8
161.09596	9.4
163.11150	6.6
165.12727	3.9
169.10120	2.2
173.11674	10.5
175.11139	2.5
177.12726	16.3
179.10710	6.0
183.11798	1.8
189.11234	2.9
191.14320	5.1
193.12247	3.0
195.13808	8.7
196.33466	2.1
202.11082	3.5
211.13228	2.1
218.51570	2.0
229.19481	4.4
247.20599	4.1
255.08899	2.7
257.19016	7.3
275.20081	37.5
293.21133	100.0
311.22214	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03941	2.5
55.01675	1.3
55.01878	14.7
55.05515	21.0
56.96559	2.5
57.03451	6.0
57.07079	9.0
65.03929	1.6
67.05505	63.1
69.03407	3.9
69.06732	1.6
69.07072	24.5
70.87502	2.4
71.04976	5.1
71.08636	47.0
72.08112	1.3
79.05063	2.2
79.05496	25.2
81.03410	5.0
81.07059	51.2
83.04984	13.0
83.08614	12.7
84.08147	1.2
85.06545	10.2
85.10167	4.8
87.04450	4.6
91.05495	19.7
93.06483	1.9
93.07047	32.0
95.04974	7.4
95.08613	100.0
97.02899	2.2
97.06548	22.0
97.10173	6.3
98.97534	1.5
98.98441	1.5
99.04456	1.6
99.08099	52.2
101.06001	4.1
104.99813	1.2
105.07028	16.3
107.04975	2.7
107.08601	18.0
109.06487	4.5
109.10157	25.9
111.04442	2.0
111.08083	15.3
111.11748	2.0
113.06059	1.4
113.09650	11.5
114.31316	1.4
115.03934	2.1
117.07030	4.4
119.08579	7.9
121.06506	1.2
121.10156	14.1
121.15656	1.3
123.08070	4.8
123.11697	6.4
127.11159	2.2
129.05475	1.7
129.07030	1.4
131.04807	1.4
131.08551	7.0
133.06505	1.5
133.10141	19.5
135.11708	11.3
137.05984	4.2
137.09564	1.4
137.13287	3.1
139.11200	2.8
141.05458	1.6
141.09105	17.1
143.08568	1.5
145.10143	4.2
147.11673	4.6
149.13255	17.2
151.11232	6.0
151.14812	3.2
153.12744	5.6
155.07030	3.8
159.10172	21.9
159.11681	5.7
161.09598	1.4
161.13295	2.6
163.11201	1.8
163.14789	4.9
165.12750	3.7
167.14304	4.9
169.10222	1.3
169.12096	1.2
171.11668	1.5
173.13243	3.5
177.12744	1.4
177.16411	1.8
181.12323	1.3
181.15860	1.8
191.14323	1.4
229.19557	5.7
237.54852	1.2
239.53214	1.1
247.20592	8.5
257.19049	2.2
265.21643	70.0
266.17651	1.3
275.20053	2.4
293.21036	10.2
311.12689	7.0
311.16440	10.6
311.22174	43.9
311.29440	4.3
312.17874	2.2
322.11884	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81610	2.4
51.24233	2.4
55.01862	3.4
55.05489	3.1
56.96555	11.8
57.03421	5.4
61.02920	15.6
67.05489	3.7
69.03415	8.2
69.07058	3.5
69.46539	2.9
69.55231	15.4
70.06578	10.2
71.17444	2.2
73.02901	5.3
79.05460	4.4
81.07055	4.0
84.08140	10.2
85.02927	14.9
86.09694	4.4
89.03885	2.8
91.03941	4.3
91.05457	4.4
93.03343	3.7
95.08605	5.0
97.02882	9.0
98.97607	14.2
101.81212	2.9
103.03941	9.8
103.05464	17.2
107.04957	6.2
109.06415	2.7
109.71963	2.5
110.06050	42.2
111.04445	2.9
115.05454	6.4
116.98624	2.9
117.05531	3.4
117.07024	16.5
121.02819	4.6
121.06520	3.3
121.92464	2.6
122.06071	3.1
124.07538	3.0
125.06001	2.6
131.04942	39.1
132.04410	5.9
133.02834	4.9
133.06502	4.0
136.07570	3.5
137.05994	21.7
140.07028	15.1
143.04897	8.2
145.02856	4.9
145.06494	30.6
147.04411	5.7
148.05203	6.9
149.05991	23.2
151.03877	5.2
153.05476	6.7
155.04942	4.3
158.99680	4.5
159.04399	5.7
160.05211	5.4
161.05974	9.7
162.05536	3.1
162.06847	4.3
163.07544	14.3
169.06464	5.4
171.04515	4.3
173.06160	9.6
175.07544	14.6
176.04683	9.4
177.05482	84.6
177.09052	14.4
179.03406	5.5
179.07062	4.0
181.04964	4.9
181.06540	3.4
187.07532	10.9
188.54971	3.0
189.05467	12.1
190.06250	3.4
191.07037	54.9
191.08516	2.0
193.08543	2.6
195.06609	4.7
195.18138	2.7
197.05978	5.7
200.04622	2.8
201.09100	7.4
203.07056	46.6
205.08606	16.8
207.06552	8.7
209.11671	3.3
215.07112	12.7
217.08678	7.1
219.06429	3.4
221.08060	18.2
227.06960	5.2
229.08589	12.6
233.08063	12.5
245.08125	5.7
257.08032	9.0
275.09134	8.2
275.13858	5.1
276.12173	3.2
293.15063	10.7
310.51929	2.8
311.11209	100.0
311.16504	8.6
311.20071	4.6
329.05539	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	310.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43017	0.5
55.01900	0.7
55.05509	2.2
56.96558	2.2
57.03432	2.5
57.07070	2.3
61.02929	1.7
67.05506	18.0
69.03434	3.6
69.85852	3.1
69.96139	0.6
70.06583	1.2
71.01371	0.7
71.04996	33.3
73.02911	2.6
79.05486	0.9
81.03407	2.0
81.07056	0.6
84.04532	0.7
85.02908	10.2
85.06065	1.0
85.06543	9.8
91.03956	0.7
95.04964	6.0
97.02888	4.4
98.97591	3.4
99.04400	0.6
109.02863	0.9
110.07177	1.2
111.64722	0.7
112.52715	0.6
113.06007	100.0
116.98640	0.7
120.08093	1.4
124.03956	32.9
127.03950	1.7
127.05618	0.6
131.07047	44.7
134.39854	0.7
145.04988	2.5
155.03362	0.6
170.99663	0.7
175.54582	0.9
177.00816	0.8
197.89014	0.8
219.01743	0.9
237.02777	0.9
278.43469	0.6
293.05795	0.7
310.13104	0.9
310.16748	0.9
332.07367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03947	1.9
55.01876	1.8
55.05514	45.5
56.96559	2.7
57.03439	2.8
57.07078	3.7
64.92811	0.5
65.03937	0.7
67.05508	12.5
69.03419	2.3
69.07072	26.3
70.03226	2.0
71.04983	2.1
71.08636	1.5
75.66698	0.6
79.05499	8.4
81.03419	1.8
81.07062	29.5
82.07382	0.8
83.04977	2.6
83.08617	8.0
85.02907	1.3
85.06543	3.4
85.10176	0.8
91.05480	5.8
92.26262	0.5
93.07048	13.4
95.04979	4.4
95.08612	24.7
97.02895	0.7
97.06538	5.5
97.10172	100.0
98.97600	2.5
98.98462	3.4
99.08090	3.9
101.06051	0.6
102.96935	0.6
105.07035	7.4
107.04950	1.6
107.08596	14.6
107.09302	1.0
109.06522	6.1
109.10162	13.8
111.08079	3.7
111.11716	2.3
113.05995	0.7
116.98627	0.5
117.07011	1.7
119.08578	6.8
121.06532	1.5
121.10152	8.3
123.08080	4.4
123.11714	7.7
125.09631	21.6
127.07564	1.2
127.11198	0.6
129.06995	0.9
131.00185	0.6
131.08574	2.5
133.10161	4.9
135.08080	2.2
135.11687	5.0
137.09615	3.3
137.13277	3.3
139.11179	2.9
141.09073	0.8
142.62738	0.5
143.10681	46.9
145.10150	2.4
147.08014	1.1
147.11696	3.9
149.09612	1.3
149.13269	4.7
151.07576	1.2
151.11189	2.0
151.14813	1.2
153.09105	1.7
153.12764	2.5
157.10164	1.1
159.11763	1.7
160.16302	0.6
161.09631	1.3
161.13252	2.7
163.11206	1.3
163.14886	1.9
165.09100	1.7
165.12761	3.1
167.14363	0.7
171.10170	7.3
171.11559	1.0
173.13214	1.3
175.11206	1.0
175.14868	2.2
177.12518	0.5
177.16428	0.9
179.07025	0.5
179.14339	0.8
181.12184	0.7
185.04851	0.7
185.13260	1.2
189.11214	11.9
189.12653	0.8
189.16377	1.7
193.15968	2.0
195.13838	0.8
199.14854	1.1
206.05717	0.6
213.16370	0.7
217.15968	1.4
217.19591	0.6
219.01862	0.5
221.15486	0.8
231.13866	1.2
231.17589	0.6
235.16986	1.1
245.22719	2.2
250.08278	0.7
252.09392	0.9
263.23773	2.7
267.09082	2.3
268.09329	2.6
273.18613	3.4
273.22195	2.0
273.25723	0.7
285.09909	1.2
286.10449	3.7
291.19611	6.7
291.23218	13.1
291.26779	2.4
300.12338	0.8
309.11746	1.7
309.20688	6.3
309.24292	35.4
309.27692	4.0
310.20126	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03951	7.8
53.89745	1.4
55.01873	12.2
55.05514	29.5
55.97420	1.2
57.03429	4.9
57.07079	11.4
65.03912	1.8
67.05507	58.4
69.03426	2.7
69.06739	1.0
69.07069	28.7
70.75421	1.5
70.81199	4.0
71.04987	4.2
71.08631	31.6
79.05495	40.9
81.03426	17.0
81.06588	2.9
81.07060	51.9
83.04987	12.5
83.08612	13.5
85.06522	5.0
85.10193	12.8
86.05733	1.4
91.05478	24.9
93.07047	41.7
95.04977	14.0
95.08607	38.1
97.06545	9.3
97.10169	19.5
98.21081	2.8
99.08097	35.1
103.14383	1.4
104.68481	1.3
105.07039	17.4
107.04937	7.2
107.08599	32.2
109.06520	7.9
109.10159	20.6
111.08109	8.8
111.11697	1.4
113.06016	5.2
113.09650	16.3
117.07018	6.5
119.08593	14.7
121.06608	2.0
121.10143	18.9
123.08067	14.6
123.11710	4.2
125.09643	16.8
127.11189	1.6
129.07004	4.9
130.07826	1.3
131.08553	5.8
133.10121	17.0
135.08084	7.8
135.11707	18.7
137.09605	4.8
139.07562	5.2
139.11206	3.3
141.09027	1.6
143.08549	4.5
145.10135	6.9
147.11694	11.7
148.45338	1.5
149.09633	5.1
149.13254	8.9
151.07594	1.8
151.11195	21.8
153.09123	4.5
153.12743	6.8
155.10628	2.0
157.10114	3.8
159.07974	1.4
159.11650	3.9
161.09599	2.0
161.13248	12.8
163.11198	10.9
163.14804	4.3
165.12773	17.4
171.10260	1.5
171.11699	3.3
173.13266	3.3
175.11185	4.2
175.14845	8.1
177.12747	2.6
179.14282	11.4
181.12251	3.2
183.77589	1.4
185.13242	3.8
189.12750	3.3
189.16234	1.4
193.12276	2.0
193.15942	4.0
195.13799	2.1
199.14809	3.6
203.12740	12.9
207.13747	2.1
217.19586	2.8
221.15323	4.5
231.21034	4.2
235.16972	1.8
241.19513	9.9
246.03876	1.4
249.22203	4.8
259.20605	15.6
266.49176	1.4
277.21637	100.0
291.19522	4.2
291.23129	7.5
309.16754	30.2
309.20535	3.3
309.24228	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	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03938	9.3
55.01874	28.2
55.05512	42.0
56.96554	6.4
57.03435	19.5
57.07067	9.6
59.04984	2.9
65.03930	3.7
67.05505	83.5
69.03430	5.3
69.06725	3.3
69.07072	40.8
71.00681	4.7
71.04994	13.0
71.08630	18.2
79.05494	55.7
81.03426	11.6
81.07056	100.0
82.50217	2.2
83.04985	15.8
83.08615	29.3
85.06551	12.7
85.10151	2.5
90.56708	2.2
91.05486	45.4
93.07047	77.2
93.80975	2.3
95.04977	21.0
95.08613	72.4
95.09232	3.5
96.59290	2.3
97.06527	30.8
97.10159	14.7
99.08092	21.9
105.07035	35.5
107.04943	23.3
107.08598	50.0
109.06526	18.1
109.10157	37.3
111.04439	2.9
111.08087	13.6
113.06011	13.8
113.09650	3.3
115.80737	2.4
117.07032	12.9
117.78589	2.8
119.08584	32.7
121.06490	5.8
121.09329	3.8
121.10148	46.6
123.08043	10.0
123.11696	8.0
125.09644	16.0
127.53415	2.2
129.06995	6.5
131.08588	18.9
132.62463	2.2
133.06474	3.0
133.10136	28.5
135.08073	22.2
135.11696	29.1
137.09622	11.0
139.07596	2.9
139.11156	9.8
143.08551	11.2
145.10124	20.3
147.08055	3.6
147.11685	20.6
147.99963	2.6
149.09618	11.5
149.13260	13.7
151.11201	12.1
153.09076	3.4
153.12758	2.6
157.08667	3.5
157.10106	9.5
157.12234	2.6
159.11691	9.0
161.09616	5.1
161.13234	12.6
163.11205	10.7
165.09120	2.5
165.12691	6.8
167.10680	6.4
171.11673	9.6
173.09599	2.6
173.11873	4.7
173.13277	6.8
175.11192	5.8
175.14795	9.4
179.10643	3.7
179.14304	5.6
181.12114	2.1
185.13184	6.4
187.10989	2.9
187.14821	5.6
189.11208	5.5
189.12747	6.9
193.12196	7.0
195.13786	3.9
199.11197	3.2
199.14682	2.9
203.12672	2.7
207.17714	3.3
213.07826	2.3
213.16359	2.8
217.14241	4.8
227.17891	3.7
231.21059	3.1
241.19493	6.6
245.18947	3.3
249.22208	7.1
259.20486	15.5
263.20023	3.4
268.09326	4.7
269.19144	2.9
273.18491	20.8
277.21649	74.5
286.10413	4.6
291.19586	53.4
291.23074	7.7
309.15509	4.8
309.21680	4.7
309.24527	26.1
327.16547	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.8
55.01874	15.0
55.05276	1.5
55.05514	21.5
57.03411	1.8
57.07059	4.4
67.05506	43.2
69.06735	1.8
69.07072	30.0
71.00410	3.4
71.04985	2.6
71.08631	3.1
79.05491	26.6
80.66650	1.3
81.02985	2.6
81.03417	34.8
81.07060	45.0
83.04992	11.0
83.08615	13.6
85.06527	3.3
85.10162	1.7
91.05492	18.7
93.07047	32.8
95.04967	21.8
95.08604	19.9
97.06530	19.7
97.10155	8.6
99.08109	3.4
104.41029	1.4
105.07036	18.7
107.04909	2.1
107.08595	21.1
109.06496	6.6
109.10151	13.7
111.08064	5.4
113.09602	1.9
114.36140	1.7
117.06991	2.0
119.08600	11.8
121.10166	12.5
123.08084	2.5
123.11698	5.4
125.09652	11.6
129.06963	2.4
131.08536	3.5
133.10132	13.1
135.08047	3.2
135.11678	12.1
145.10106	2.8
147.11682	18.8
149.13263	5.7
151.11189	26.7
151.14857	1.4
153.09126	4.0
153.18288	1.4
159.11737	2.1
160.38742	1.5
161.13275	9.2
163.11212	1.8
163.14803	5.1
164.43959	1.7
165.12729	9.8
171.11693	5.0
175.11208	3.1
175.14807	3.8
177.12773	2.1
179.14359	8.5
185.13249	2.6
199.38760	1.6
203.12753	8.3
207.13895	2.8
217.19385	2.6
231.21036	7.5
241.19513	6.7
249.22130	4.3
259.20587	9.5
277.21616	100.0
309.24213	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	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
51.81872	1.4
55.05515	11.1
57.03420	3.1
57.07071	1.9
67.05505	24.4
69.07074	10.4
70.16135	7.1
71.08636	31.9
79.05495	28.3
79.62244	1.9
81.03426	3.1
81.07059	35.3
83.04978	7.1
83.08620	5.4
85.06556	2.3
89.17919	1.6
91.05466	16.7
93.07051	33.3
95.04974	7.1
95.08601	23.2
97.06529	7.2
97.10170	3.4
98.21461	1.7
99.08099	42.3
105.07057	8.4
107.04969	4.4
107.08607	22.2
109.10165	8.0
117.07052	2.4
119.08583	8.2
119.10023	1.5
121.10146	23.7
125.09641	1.7
131.08572	3.6
133.10165	5.8
135.11694	30.9
137.09613	3.9
141.09105	1.8
142.99164	1.6
144.07310	1.5
145.10130	3.6
147.11662	3.8
149.13254	9.1
151.11166	13.5
157.10085	2.0
159.11667	3.0
161.13245	8.3
163.11186	5.0
163.14842	2.7
166.50813	1.6
167.14407	1.6
171.11766	1.7
177.12733	3.1
179.14310	100.0
185.13287	2.6
195.13928	2.5
221.15390	2.8
235.16902	3.3
241.19540	3.7
249.22165	2.2
259.20602	4.4
277.21619	68.0
309.24097	3.8
312.77692	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.6
55.01864	6.0
55.05264	2.2
55.05508	22.3
57.03434	5.7
57.07061	4.8
59.04994	1.7
59.70428	1.5
59.80138	1.6
67.05503	48.1
69.03452	2.4
69.07070	24.7
69.44572	11.2
70.41799	1.6
71.08630	44.4
78.43228	1.5
79.05492	45.8
81.03423	22.8
81.07056	50.4
81.12519	1.6
83.04993	15.6
83.08624	11.9
85.06546	5.4
91.05481	24.2
93.07043	53.0
95.04969	21.4
95.08600	26.1
97.06538	10.1
97.10190	8.2
98.21578	2.6
99.08091	45.1
105.07030	23.3
107.04960	6.3
107.08595	29.5
109.06519	7.7
109.10155	18.0
111.08073	3.5
113.06014	3.8
117.07002	5.9
119.08584	15.0
121.06523	3.5
121.10146	24.5
123.08049	3.3
123.11722	4.5
125.09638	7.1
129.07018	3.0
131.08545	7.5
133.10135	12.7
135.08078	5.0
135.11700	22.4
137.09622	4.5
137.13316	2.5
139.11163	2.0
141.09091	2.5
143.08557	4.2
145.10127	5.2
147.11667	10.7
149.09689	2.0
149.13316	9.1
151.11186	29.8
153.12805	3.6
157.10094	5.0
159.11694	3.4
161.13239	17.8
163.11194	6.9
163.14920	3.7
165.12787	2.9
167.10622	3.0
171.10300	2.3
171.11737	5.2
173.13188	2.5
175.14803	4.2
176.03276	1.4
177.12807	4.2
179.14311	58.9
181.12270	2.7
185.13249	5.6
189.12788	2.9
193.15862	2.1
195.13809	2.7
199.14714	2.5
203.12764	6.6
207.13940	2.0
221.15358	2.7
231.21002	2.9
235.16948	3.2
241.19562	6.2
249.22183	4.4
259.20639	9.2
273.18692	2.3
277.21616	100.0
291.19708	9.6
309.24194	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	309.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.3
55.01878	11.1
55.05518	32.8
57.03431	6.5
57.07063	8.0
66.15782	2.0
67.05509	62.3
69.03420	5.2
69.07075	26.4
70.68235	4.2
71.04979	4.5
71.08636	41.8
73.93774	2.2
79.05072	3.2
79.05498	41.2
81.03401	4.9
81.06585	4.3
81.07063	70.5
83.04977	13.6
83.08623	23.2
83.85120	2.3
85.06544	6.6
85.10104	2.2
91.04977	3.5
91.05495	38.4
93.07047	62.9
95.04973	23.2
95.08608	41.6
97.06537	15.3
97.10190	12.4
99.08092	40.6
99.59274	2.1
105.07043	29.2
107.04954	6.4
107.08599	30.0
109.06510	5.9
109.10165	17.4
111.08093	8.0
117.07034	8.6
119.08595	20.6
121.06500	4.7
121.10149	25.5
123.08044	7.3
123.11704	8.8
125.09630	7.7
127.11204	2.6
129.07027	5.9
131.08586	12.0
133.10126	24.7
135.08038	3.9
135.11732	18.5
137.09647	4.8
139.07527	8.0
139.10178	2.2
139.11131	11.1
139.79562	2.2
141.12706	2.7
143.08546	4.8
145.10123	13.6
147.08005	5.5
147.11679	15.9
148.25284	2.6
149.09647	2.8
149.13254	10.9
151.11182	25.8
153.09106	2.6
157.10130	8.2
159.11630	8.8
161.09615	3.0
161.13283	14.6
163.11169	13.5
163.14813	3.1
165.12788	11.7
167.14304	3.9
171.01480	2.6
171.11671	7.4
173.13109	2.9
175.11217	6.3
175.14841	7.7
177.12775	4.8
179.14328	8.1
185.13280	6.1
189.11246	3.1
189.12802	4.4
193.12242	6.7
193.15913	3.4
207.13799	3.8
215.18127	2.4
217.19582	4.8
221.15384	6.8
231.21098	6.2
241.19545	13.3
249.22145	5.5
259.20590	16.9
273.18408	3.7
277.21640	100.0
291.19559	31.4
291.23154	10.7
309.24219	41.4
309.29837	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	309.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01876	10.9
55.05263	3.4
55.05510	34.0
57.03436	5.8
57.07071	9.3
63.60477	1.9
64.06721	2.1
65.03934	3.5
65.22288	2.1
67.05505	56.4
69.03430	3.8
69.06783	2.3
69.07075	27.0
69.79923	12.1
71.04974	2.4
71.08630	38.8
73.06561	3.7
79.05496	45.1
81.03394	5.0
81.07056	68.0
83.04998	11.0
83.08616	21.8
85.06539	7.2
85.10178	2.2
90.92427	2.3
91.05476	32.2
93.07045	60.4
95.04971	18.4
95.08052	3.3
95.08609	39.6
97.06527	15.5
97.10164	9.5
98.20773	4.3
99.08089	36.0
105.07037	29.0
107.04974	3.5
107.08601	25.4
107.86911	2.3
109.06491	4.0
109.10134	15.5
111.08075	7.8
117.07011	7.0
118.39949	2.0
119.08576	23.1
121.06505	3.9
121.10162	19.1
123.08060	7.4
123.11694	8.7
125.09672	6.3
129.07002	8.3
131.08594	9.1
133.10156	25.2
135.08051	4.4
135.11708	18.6
137.09657	6.2
137.13309	3.9
139.07536	8.3
139.11186	13.1
143.08583	5.9
145.10117	11.7
146.57977	1.9
147.11697	18.5
149.09584	4.2
149.13249	10.7
151.11195	21.9
153.12749	5.0
157.10155	7.2
159.11687	6.0
160.15942	2.8
161.13258	15.6
163.11162	14.6
163.14792	4.6
165.12752	8.6
171.11740	6.2
173.13272	4.6
175.11220	7.3
175.14836	9.8
179.14375	8.0
185.13251	5.8
189.12784	3.5
193.12234	8.0
193.15862	2.7
207.13921	3.1
217.19569	4.6
221.15349	4.1
228.91739	2.0
231.20998	6.3
235.17215	3.0
241.19495	12.8
249.21989	2.6
259.20578	17.8
277.21640	100.0
291.23029	10.7
309.24222	34.7
309.29788	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	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03945	6.4
55.05514	33.7
57.03429	4.8
57.07070	8.2
67.05509	71.2
68.84289	3.3
69.07068	25.3
70.94950	3.6
70.95274	6.0
71.04964	5.2
71.08635	41.7
74.55822	3.2
79.05496	50.5
81.03410	24.5
81.07061	58.3
83.04971	11.2
83.08636	16.4
85.06539	5.4
91.05490	28.5
93.07049	54.6
95.04981	17.7
95.08612	26.7
97.06546	8.3
97.10159	25.5
99.08100	49.4
100.81593	3.5
105.07027	24.0
107.08595	36.0
109.06493	7.0
109.10166	33.3
111.08070	8.7
117.07058	6.9
119.08552	15.6
121.06478	3.8
121.10114	14.8
123.08067	5.4
123.11694	4.4
123.71906	3.3
125.09652	30.1
129.06964	4.9
131.08536	8.1
133.10121	13.9
135.08069	10.3
135.11678	22.4
139.07512	5.0
145.10097	12.5
147.11673	14.0
149.13223	11.8
151.11203	26.8
153.09119	7.2
159.11742	4.8
161.13254	15.9
163.11182	10.3
163.14812	5.8
165.12700	7.4
171.11612	4.9
173.13115	5.1
175.14812	11.4
177.12508	3.8
179.14279	12.2
185.13307	5.0
189.12706	4.8
193.12170	3.7
203.12794	28.3
205.38019	3.3
207.13840	4.0
241.19582	11.7
259.20593	15.5
277.18829	7.2
277.21643	100.0
278.76517	3.6
291.19720	4.3
291.23053	7.2
309.24106	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	309.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50001	2.8
53.03947	3.9
55.01863	7.8
55.05510	32.6
57.03432	4.1
57.07061	5.7
66.08739	3.2
67.05170	5.5
67.05505	72.3
69.07069	24.8
70.95833	4.6
70.96152	4.1
71.04989	4.2
71.08633	60.4
79.05496	40.3
81.03441	16.2
81.07058	56.7
83.04971	12.3
83.08626	27.6
85.06549	6.6
91.05482	33.0
93.07043	56.5
95.04974	22.7
95.08599	36.2
97.06551	14.7
97.10181	22.0
99.08097	59.0
105.07034	30.3
107.04939	4.9
107.08588	36.1
109.06516	8.1
109.10150	25.7
111.08067	7.5
117.06996	10.3
119.08580	22.3
121.06531	4.8
121.10093	21.8
123.04050	3.4
123.11670	5.0
125.09644	20.0
129.06975	10.5
131.08575	12.5
133.10146	19.8
135.08067	8.9
135.11732	19.8
137.09598	3.3
139.07506	8.7
143.08585	8.7
145.10141	23.1
147.11691	13.1
149.13260	10.8
151.11206	35.4
153.09126	4.7
157.10144	8.4
159.11691	8.8
161.13237	14.7
163.11185	17.0
165.12724	3.6
171.11687	8.6
173.13322	4.3
175.14842	8.7
179.14291	15.7
185.13251	6.7
193.15804	3.9
199.14835	5.2
203.12773	23.8
217.19693	3.6
221.15395	5.6
227.55632	2.9
231.21075	5.1
235.16965	3.3
241.19563	10.6
259.20602	17.7
277.21622	100.0
291.19632	3.4
291.22998	4.1
309.24512	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	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03943	7.9
55.01878	7.9
55.05272	2.7
55.05512	38.5
56.05848	2.0
57.03417	2.9
57.07069	5.0
67.05507	93.2
68.05814	2.0
69.03421	4.7
69.06728	2.1
69.07069	30.3
70.95355	4.0
71.04982	4.6
71.08642	20.3
79.05493	52.5
80.05806	5.4
81.03421	25.3
81.07062	60.9
82.07389	2.7
83.04982	12.7
83.08624	23.4
84.08945	1.9
85.06527	5.8
88.58312	1.8
91.04965	2.5
91.05484	27.3
92.05814	4.7
93.07052	48.3
94.07360	3.5
94.68884	1.3
95.04973	28.6
95.08055	3.0
95.08608	35.6
96.08928	2.9
97.06541	10.0
97.10177	36.6
98.06863	2.4
98.10516	2.4
99.08096	17.2
105.07033	28.7
106.07339	2.2
107.04935	5.7
107.08599	60.3
108.05318	1.8
108.08939	8.7
109.06525	7.2
109.09385	2.2
109.10159	28.3
111.08076	5.4
117.07039	8.0
119.07822	2.0
119.08578	18.4
121.06545	2.6
121.10150	24.6
123.08094	4.5
123.11723	5.1
125.09632	34.1
129.06984	3.4
131.08586	9.2
133.10120	18.7
134.10498	2.6
135.08087	10.8
135.11685	22.4
137.13255	2.2
139.07536	2.2
143.08563	6.5
145.10152	11.3
146.10437	2.0
147.11685	12.7
149.09613	4.1
149.13316	12.9
150.09932	2.6
151.11203	22.9
153.09081	9.0
157.10098	6.1
157.12195	4.1
159.11670	5.7
161.09586	2.2
161.13263	11.7
163.11195	8.0
163.14816	4.3
165.12794	3.3
167.10695	2.1
171.10307	2.0
171.11653	7.9
173.13251	4.7
175.11313	2.3
175.14845	8.5
177.12735	3.6
179.14270	5.1
183.11685	2.8
185.13268	6.8
187.14803	1.7
189.12721	3.3
193.15886	7.2
195.13818	2.3
197.69348	2.1
199.14713	4.9
203.12781	30.2
204.13188	2.0
207.17538	1.7
213.16328	2.0
215.17952	1.7
217.19553	2.6
221.15395	3.6
231.21014	4.7
235.17055	2.4
241.19504	10.4
249.22014	2.9
259.20609	14.7
275.20044	2.6
277.21616	100.0
278.21759	2.3
289.42825	1.6
291.22729	6.7
309.23886	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	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03936	2.9
55.01868	6.7
55.05513	28.9
57.03424	3.1
57.07083	3.6
59.04993	1.9
65.03928	1.5
67.05507	28.2
69.03439	4.6
69.07066	19.6
69.59851	2.3
69.60278	2.4
71.04982	2.3
71.08633	10.1
79.05495	25.8
81.03419	4.8
81.07059	30.0
83.04984	5.8
83.08622	14.4
85.06534	3.3
85.87524	0.7
91.05487	17.8
93.07044	25.0
94.04224	0.8
95.04974	10.8
95.08606	20.2
97.02911	3.4
97.06544	4.3
97.07050	0.7
97.10172	18.2
98.98492	0.9
99.08098	9.5
103.05437	1.0
105.04491	1.0
105.07040	17.5
106.56097	0.9
107.04949	7.8
107.08598	18.1
107.81548	0.7
109.06541	5.1
109.10160	9.4
111.04411	1.2
111.08090	3.9
111.11707	1.2
113.05996	4.0
113.09689	1.2
115.05411	1.7
117.07026	7.2
119.04938	1.0
119.08590	12.7
121.06528	4.2
121.10139	8.4
123.08083	8.7
123.11679	3.9
125.09647	11.4
128.06221	0.7
129.06985	2.8
130.07854	0.8
131.08562	7.3
133.06500	2.9
133.10136	8.0
135.08037	7.3
135.11714	6.4
137.09579	3.6
137.13318	1.2
139.07533	1.8
139.11194	2.6
143.08539	3.8
145.10115	8.4
147.08052	4.7
147.11670	6.6
149.09630	2.9
149.13266	2.8
151.11209	7.1
153.09021	1.0
153.12746	0.8
157.10150	4.2
159.07959	0.7
159.11734	3.0
161.09637	3.1
161.13231	5.4
163.11209	3.2
163.14764	2.1
165.04309	0.6
165.09167	3.0
165.12726	1.6
169.12234	1.2
171.10344	1.2
171.11646	4.2
173.13400	1.7
175.11237	2.9
175.14813	3.0
177.12703	1.4
179.14285	2.8
180.68504	0.7
181.12325	0.8
185.13258	1.5
189.11247	6.0
189.12726	1.6
193.12276	1.7
195.11864	0.7
195.13768	1.4
199.14799	0.7
203.12749	1.6
211.14970	0.7
217.19585	0.8
221.15379	1.3
223.13309	6.8
227.17972	1.0
231.17522	0.9
231.21075	2.1
235.16898	1.1
237.16388	0.8
241.19479	2.3
245.19060	2.9
249.14757	1.1
255.17537	1.7
259.20609	4.2
263.20142	3.0
268.14630	0.7
273.15533	0.7
273.18512	16.6
277.21646	21.6
282.90372	0.8
291.19550	100.0
292.19891	1.0
309.16220	3.5
309.20844	2.0
309.24442	9.0
309.29803	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	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03941	7.1
55.01859	4.4
55.05297	1.2
55.05515	11.6
57.03439	7.6
60.86486	1.1
65.03934	2.6
65.26047	1.1
67.05180	1.9
67.05509	29.2
67.79807	1.2
69.03414	3.3
69.07073	18.9
70.83820	2.8
71.04980	2.9
72.34459	1.2
79.05493	28.9
79.05959	1.4
81.02985	1.9
81.03422	20.7
81.07061	42.9
83.04979	9.0
83.08643	8.3
85.06545	4.2
87.04458	4.4
91.05484	24.9
93.07047	31.9
95.04980	14.5
95.08609	29.2
97.06526	9.5
99.08092	4.1
101.06005	1.6
101.19740	1.3
102.51799	1.2
105.07035	23.0
107.04961	5.1
107.08589	16.4
109.05890	1.2
109.06531	8.8
109.10177	11.0
111.08108	6.1
111.11752	1.4
115.03940	3.3
115.07547	1.3
117.07030	5.9
119.08586	15.7
121.10129	8.9
123.04465	1.2
123.08059	3.3
123.11703	2.9
125.09652	1.4
129.07007	2.6
131.08546	9.7
133.06488	2.6
133.10139	17.4
135.11671	5.8
137.09645	6.3
141.05469	1.3
141.08966	1.5
143.08591	3.7
145.10127	7.3
147.08138	1.5
147.11687	9.3
149.09612	1.2
149.13242	3.4
151.11182	5.3
157.10110	3.9
159.10332	1.4
159.11671	4.8
161.09639	4.4
161.13292	2.9
163.11179	1.9
165.12804	2.0
171.11659	2.7
173.13223	6.0
175.11194	1.5
179.10684	4.6
181.12244	1.9
185.13364	2.0
189.12755	1.8
191.14436	1.5
193.12289	5.0
199.13313	1.7
201.16559	1.8
207.13858	3.3
227.17946	2.7
233.35172	1.4
235.13312	1.8
237.14841	10.4
245.18967	5.9
253.14294	1.7
263.20078	42.5
291.19681	9.9
295.25534	1.2
309.20612	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03950	8.5
55.01877	5.6
55.05512	12.3
56.96561	2.9
57.03432	3.3
57.07076	1.6
60.85429	0.8
65.03934	2.0
67.05507	39.8
69.03138	0.7
69.03440	6.0
69.07073	33.8
70.10632	3.7
71.04988	4.9
73.02914	2.0
79.05497	30.2
81.03422	20.7
81.07060	52.9
83.04990	8.0
83.08620	6.9
84.08150	2.2
84.96021	1.1
85.02147	0.9
85.02910	4.6
85.06541	5.2
86.09694	1.2
87.04462	6.2
91.04910	1.0
91.05484	27.4
93.07047	42.1
95.04969	13.1
95.08607	31.9
97.02879	2.8
97.06536	14.3
97.10160	0.8
98.06879	1.5
98.97599	7.1
99.08102	6.5
101.06018	2.5
103.05485	1.0
105.07035	31.6
107.04966	5.7
107.08599	25.9
109.06517	13.2
109.10146	12.4
110.97569	1.6
111.08073	5.2
113.06004	2.0
113.09679	1.4
115.03905	2.6
115.05506	0.9
115.07558	1.6
116.98634	1.9
117.07018	5.4
119.04987	1.2
119.08588	21.0
121.06505	3.1
121.10154	14.6
123.08061	4.9
123.11735	2.3
125.09614	2.3
127.03954	1.5
128.98650	1.3
129.05505	1.4
129.06984	4.6
131.08597	10.2
133.06496	2.7
133.10144	17.3
135.08035	2.5
135.11696	8.0
137.06004	5.5
137.09604	4.6
137.13152	0.9
141.05496	0.8
141.09085	1.0
143.08578	3.7
145.10126	11.2
147.08028	1.4
147.11702	10.2
149.09610	2.1
149.13286	3.7
151.11201	5.5
154.08621	1.0
157.10100	6.1
158.99681	1.7
159.08046	1.5
159.10355	1.6
159.11691	7.2
160.08388	1.1
161.09663	2.2
161.13231	4.1
162.04359	1.0
163.11180	1.7
165.12749	3.4
167.19539	0.7
171.11678	4.7
173.11865	0.9
173.13284	2.4
175.11206	2.7
177.00793	1.3
177.09198	2.1
177.12706	0.9
178.09534	2.6
181.12332	2.0
185.13162	4.1
187.14847	1.5
189.12852	1.4
193.12247	5.5
195.13861	1.1
197.11667	1.1
205.15875	1.0
207.13811	2.4
211.13252	1.8
219.01837	2.8
227.17978	5.3
228.06523	3.0
237.02892	2.7
239.16345	1.2
243.07043	4.6
243.57286	0.9
245.19070	8.9
248.66154	0.9
251.16431	13.6
263.20074	38.7
274.15305	1.1
291.19699	18.3
292.16306	1.5
309.09097	2.0
309.20651	100.0
310.20868	1.9
323.07986	1.7
327.07629	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	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03935	7.4
55.01883	17.4
55.05513	33.5
57.03430	5.4
57.07076	2.8
65.03928	3.4
65.97409	2.4
67.05506	76.8
69.03424	4.5
69.06720	4.1
69.07065	39.0
70.81721	6.1
71.04997	12.4
76.44491	2.3
77.03905	4.1
79.05496	63.1
81.03418	5.1
81.06582	5.0
81.07059	94.8
83.01327	3.8
83.04993	18.7
83.08614	16.2
85.02887	3.1
85.06528	8.5
86.16214	2.6
91.05486	63.6
93.07047	67.0
95.04952	8.3
95.08609	43.9
97.06525	10.4
97.10150	4.7
99.04468	6.1
105.07033	58.8
106.07354	3.3
107.04968	17.6
107.07897	3.7
107.08601	57.1
108.08926	3.3
109.06507	16.9
109.10161	77.3
110.06875	2.9
111.04457	7.6
111.08076	13.4
113.06010	3.2
117.07002	12.1
119.08587	26.1
121.06525	18.8
121.10143	16.7
123.08063	8.2
123.11690	10.0
125.09608	4.7
127.07587	3.4
128.06178	2.8
129.07019	7.0
131.08580	20.5
133.06511	16.3
133.10138	100.0
135.08067	12.4
135.11687	12.8
137.06018	2.9
137.09631	6.2
139.07555	10.7
139.11224	3.5
143.08543	12.2
145.10095	14.9
147.08070	17.0
147.11671	10.7
149.09619	10.4
149.13211	3.7
151.11197	52.8
153.09039	3.0
157.10136	9.3
159.08064	3.5
159.11720	7.9
161.09613	20.8
161.13269	6.0
163.11169	4.8
165.09106	2.7
167.10649	3.5
169.10088	3.8
169.12245	11.1
171.11678	10.1
173.09613	6.7
173.13275	3.4
175.11203	7.5
177.09109	4.4
179.10619	3.0
181.08643	4.9
185.13161	3.7
187.11160	4.6
189.12686	4.2
195.10144	2.6
199.11285	6.1
203.14334	9.5
215.12781	5.9
217.12260	5.1
227.17886	3.8
245.19061	19.5
255.17482	7.7
263.20038	24.7
273.15521	2.8
273.18500	56.5
277.20743	11.3
284.31027	2.4
291.19559	98.0
309.20599	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	309.2058
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03936	4.4
53.28484	1.9
53.55801	1.6
55.01878	14.3
55.02653	1.7
55.05511	22.2
57.03430	4.3
57.07061	1.9
65.03957	2.4
67.05502	60.8
69.03427	4.5
69.07067	20.7
71.04987	7.8
71.16344	2.6
71.16668	4.0
72.13197	1.8
79.05493	34.4
80.90555	1.9
81.03411	2.3
81.07052	70.8
83.01319	2.5
83.04982	11.2
83.08619	7.6
85.02911	2.6
85.06540	7.6
89.91832	1.7
91.05489	50.0
93.07043	43.1
95.04937	10.5
95.08607	23.7
97.06518	6.9
97.10150	3.3
99.04451	5.4
105.04469	2.7
105.07030	47.8
107.04945	9.4
107.08589	50.9
107.61311	1.7
109.06506	10.0
109.10154	88.1
111.04475	3.4
111.08076	8.4
113.06042	4.5
117.07000	4.4
118.97055	1.7
119.08574	18.1
121.06486	11.1
121.10131	8.9
123.08052	5.0
123.11694	11.8
127.07533	4.1
129.07027	4.8
131.08557	9.7
133.06503	7.0
133.10129	100.0
135.08058	6.2
135.11732	6.3
137.05962	3.2
137.09613	3.8
139.07520	7.7
143.08556	7.2
145.10141	8.9
147.08031	8.6
147.11658	4.5
149.09610	6.4
151.11179	64.7
157.10109	4.3
159.08061	2.4
159.11691	2.2
161.09621	10.9
161.13301	4.1
163.11148	2.5
169.12218	22.3
171.11722	3.3
175.11234	3.9
179.10660	3.7
181.08507	2.6
185.13228	2.2
189.12709	5.0
191.10672	2.5
197.11707	1.9
203.14322	2.2
207.13629	2.4
213.16420	1.9
215.12761	8.0
217.12257	2.8
223.13315	2.4
245.19041	10.0
251.16444	2.2
255.17343	3.2
263.20044	13.3
273.18488	32.2
291.19528	60.9
301.90811	2.0
309.20609	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	309.2059
Annotation	Albocycline
Peak:m/z	Relative Intensity
55.01860	4.0
55.05514	19.9
57.03441	1.3
57.11405	1.1
57.48793	1.1
67.05515	11.6
69.03418	4.0
69.07066	10.0
69.73494	4.9
69.73906	1.7
76.12694	1.2
79.05491	12.3
81.03428	1.3
81.07061	12.6
83.04989	1.4
83.08619	9.3
88.13039	1.1
91.05489	7.4
93.07045	9.5
95.04956	3.6
95.08598	5.7
96.76182	1.3
97.02815	1.1
97.06506	2.0
97.10177	16.5
105.07063	6.1
107.04953	1.8
107.08599	8.6
109.06502	1.5
109.10117	2.0
117.06992	3.7
119.08604	6.4
121.06508	2.4
121.10124	2.7
123.08047	4.7
125.09624	13.2
131.08582	3.0
133.06525	2.1
133.10130	2.6
135.08041	3.0
135.27725	1.2
135.29851	1.3
137.09630	2.2
143.08635	1.6
145.10129	3.3
147.08038	3.6
147.11734	2.5
149.09659	2.0
157.10146	2.0
159.11635	1.6
162.96449	1.4
163.11174	2.7
165.09082	3.0
171.10188	2.1
175.11174	2.1
189.11224	7.0
193.12260	1.5
223.13358	7.5
249.14644	1.3
249.18588	1.7
255.17365	1.4
273.18411	10.1
291.19550	100.0
309.20605	4.6
309.23822	1.4
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
51.96643	1.0
53.03947	1.9
55.01875	4.7
55.05268	1.8
55.05515	27.8
57.03441	1.9
67.05508	15.5
69.03444	2.6
69.07077	10.6
70.00925	4.8
71.04978	0.9
76.25568	0.9
77.03908	1.4
79.05500	18.0
81.03406	4.9
81.07059	17.1
83.04980	4.0
83.08620	15.9
91.05474	10.4
93.07040	14.3
95.04976	8.1
95.08609	9.1
97.06548	2.3
97.10178	23.5
105.07047	8.9
105.18439	1.0
107.04962	18.7
107.08600	12.4
109.06509	2.2
109.10167	5.7
111.04421	1.9
111.08076	2.2
117.07018	4.6
119.08574	11.2
121.06512	2.1
121.10162	6.1
123.08067	10.1
125.08752	1.9
125.09632	18.9
125.10471	0.7
129.07034	1.8
131.08557	5.5
133.06522	2.2
133.10118	3.2
135.08067	9.4
135.11726	2.1
137.09633	3.5
143.08517	1.6
145.10127	4.9
147.08009	4.1
147.11699	3.8
149.09616	1.7
155.10649	1.3
159.11697	2.5
161.09633	2.3
163.11223	1.8
165.09117	2.6
169.12326	1.3
171.10126	2.9
171.11539	1.2
173.11743	2.4
175.11168	2.1
187.11398	1.1
189.11220	10.7
189.12740	1.7
193.12236	2.4
211.13269	2.1
223.13318	3.9
227.18013	1.6
233.15364	1.5
238.32341	1.2
249.18407	1.3
255.17358	2.1
259.74182	1.1
273.18512	19.2
291.19559	100.0
309.20657	10.0
320.68237	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03930	8.8
55.01868	9.4
55.05513	17.9
56.34024	3.1
57.03444	23.5
59.38818	2.9
60.47699	3.2
61.53582	2.8
65.03922	6.0
67.05508	66.2
67.23579	3.5
67.97112	3.2
69.07060	9.7
70.81589	7.9
79.05501	48.7
81.03413	5.0
81.07071	44.6
83.04978	10.0
83.08601	5.1
85.06551	12.3
91.05489	33.0
93.07056	39.4
95.04974	100.0
95.08610	16.6
97.06505	7.0
97.10175	3.4
105.07046	26.2
107.04969	15.9
107.08614	22.9
109.06527	64.5
109.10152	7.3
111.08063	3.8
113.06027	25.5
116.06222	3.7
117.07019	12.6
119.08559	12.8
121.06514	10.1
121.10153	11.5
123.08068	6.1
129.07021	7.7
131.08568	19.5
133.06497	6.3
133.10133	9.1
135.08060	53.1
135.11682	10.0
143.08572	9.9
145.10120	16.0
147.08066	9.5
147.11728	4.2
149.09653	9.0
149.13312	6.1
157.10149	5.3
159.11662	6.8
161.09624	7.9
163.11230	4.0
171.11658	4.3
173.13338	3.5
175.11201	5.7
185.13303	5.0
187.95572	3.4
217.15881	13.1
227.17877	4.2
245.09711	2.8
245.19073	4.8
273.18472	39.8
291.19592	43.0
293.18570	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	309.206
Annotation	Soraphen O
Peak:m/z	Relative Intensity
52.85912	0.7
55.01881	5.7
55.05502	3.2
57.03440	34.7
57.07081	1.0
57.12552	0.7
64.10303	0.7
65.03928	1.7
67.05507	27.1
67.90095	0.6
69.03432	1.3
69.07066	3.0
70.95616	1.1
70.95983	1.6
71.05003	3.4
74.14194	0.7
79.05491	11.9
80.46228	0.7
81.03418	1.1
81.07059	12.1
83.08640	1.0
85.06548	36.0
91.05488	9.3
91.19633	0.8
93.07041	10.1
95.04976	41.1
95.08611	4.4
97.06536	1.9
100.28809	0.8
105.07030	7.7
107.04974	3.8
107.08610	7.4
109.06522	38.2
109.10133	1.5
113.06008	100.0
117.07032	6.3
119.08583	4.8
121.06510	2.1
121.10139	2.6
123.08065	1.9
128.06213	0.8
129.07005	2.8
130.07742	0.9
131.08548	8.3
133.10141	2.5
135.08060	30.1
135.11702	2.8
143.08582	2.9
145.10126	5.0
147.08090	2.4
149.09615	2.2
157.10165	3.3
159.08124	1.1
159.11690	3.3
161.09644	3.6
163.11230	1.4
167.29924	0.7
169.10159	1.0
171.11763	2.1
173.13228	1.4
175.11172	1.5
175.14774	0.7
177.12843	1.3
183.11659	0.9
185.13260	1.2
187.11333	0.8
195.13792	1.4
199.14813	3.0
201.12772	1.6
217.15887	11.7
219.13803	1.4
227.17952	1.0
245.19113	1.6
255.17517	1.8
273.18497	16.2
291.19547	46.2
324.71707	0.7
329.95630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1857
Annotation	6-Hydroxydendroxine
Peak:m/z	Relative Intensity
53.03908	0.7
55.01865	0.6
55.05496	1.1
56.05030	1.8
56.96557	2.3
57.03437	0.6
67.05489	1.0
69.03425	1.2
69.07072	3.6
70.03843	2.4
70.06603	1.4
72.08150	0.7
73.02888	1.0
76.02220	1.9
79.05486	2.4
81.03406	2.2
81.07063	3.9
82.06577	1.3
84.03942	0.6
84.04494	2.1
84.08131	2.9
85.02914	1.8
90.94849	0.6
91.05471	1.5
93.07035	1.2
97.02907	1.7
97.06551	3.7
98.21426	0.9
98.97584	2.8
109.06525	4.9
110.97567	0.7
111.04437	1.4
116.01682	0.7
116.98615	1.1
117.18102	0.6
119.04944	0.6
119.08562	1.7
121.06443	0.8
123.04433	0.9
126.09167	5.0
127.03864	0.6
129.05495	1.5
131.08556	0.8
136.07634	0.9
136.11197	1.9
137.05948	2.3
146.06007	3.8
147.08009	1.5
149.05951	1.1
159.08044	1.1
162.09190	0.7
163.06302	3.2
163.09839	0.6
164.10724	55.6
165.09123	1.1
175.07526	1.1
179.04834	1.4
191.09354	5.1
192.10204	4.2
217.10970	2.7
218.11719	0.8
218.15369	3.4
237.02890	1.2
244.17365	1.2
246.14914	7.8
248.16609	0.9
290.17511	67.9
308.18567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2631
Annotation	Trixagodiol A
Peak:m/z	Relative Intensity
53.03936	3.0
55.01868	2.5
55.05516	22.8
56.96552	1.0
57.03433	2.4
57.07079	11.1
65.03933	2.6
67.05507	27.5
69.03414	3.0
69.07070	34.9
70.08254	3.6
71.04975	3.7
71.08616	4.1
79.05064	1.5
79.05494	19.1
81.02986	1.6
81.03422	20.5
81.07060	54.5
83.04979	7.2
83.08157	1.1
83.08627	15.8
85.06541	9.2
85.10162	2.2
90.07403	1.0
91.05487	10.8
93.07050	27.5
95.04973	100.0
95.08608	44.0
97.06541	20.3
97.10172	12.9
98.97577	1.1
99.04383	1.0
99.08080	3.9
105.07033	17.7
107.04951	2.0
107.08601	24.4
109.06517	7.8
109.10158	29.1
109.40845	0.9
111.04454	1.7
111.08080	7.0
111.11699	4.5
113.09624	1.2
117.07008	4.3
119.08580	13.2
121.02899	1.1
121.06500	6.0
121.09315	1.5
121.10141	17.2
121.82793	0.8
123.08053	4.6
123.11710	11.5
125.05943	1.0
125.09636	4.6
129.06985	1.4
131.08545	3.8
132.95879	1.2
133.10117	8.1
135.07104	1.6
135.08054	17.5
135.11699	11.3
137.09631	5.3
137.13260	2.8
139.11143	1.8
145.06662	1.0
145.10112	6.5
147.11681	8.6
149.09616	3.9
149.13266	10.1
151.11185	2.2
157.10178	1.5
158.11021	0.9
159.08092	1.1
159.11687	5.1
161.13275	7.9
163.11168	2.6
163.14859	5.6
165.12750	2.7
173.13286	3.3
175.14827	3.9
177.12700	1.2
177.16386	2.0
179.14284	2.8
187.14789	2.0
189.16364	2.4
191.18054	1.1
196.99637	1.2
198.96898	1.9
201.16319	2.2
203.17955	1.5
215.17982	1.8
229.19501	1.2
231.06535	4.5
235.20776	0.9
263.23840	2.0
271.16989	3.0
271.24231	5.5
279.27185	1.1
286.34134	1.1
289.18005	4.0
289.25269	23.4
298.38864	1.0
307.19028	2.8
307.26318	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	17.7
55.01874	12.8
55.05513	67.0
63.38309	2.4
67.05506	49.6
69.07069	29.3
70.95806	6.2
71.04989	3.8
79.05492	40.1
81.03420	30.8
81.07057	56.4
83.04979	8.2
83.08620	96.5
85.06541	8.0
91.05484	32.9
93.07041	44.4
95.01341	3.8
95.04971	18.2
95.08604	22.5
97.06527	19.4
97.10159	3.7
99.08095	2.7
105.07038	32.8
107.04952	44.4
107.08591	24.4
107.84760	2.4
109.06530	6.4
109.10131	3.4
111.08076	22.2
117.07060	12.7
117.07777	2.4
119.08591	22.3
121.06506	6.5
121.10142	35.9
123.08065	4.0
124.04176	2.3
129.06996	5.5
129.13202	2.6
131.07736	2.6
131.08551	14.7
133.10130	14.3
135.08060	4.4
135.11687	23.8
137.09615	3.1
139.11133	4.8
143.08612	2.9
145.06482	5.2
145.10120	34.8
147.11719	13.6
149.09625	24.6
149.13239	3.5
151.11087	3.1
155.08528	8.1
157.10167	3.8
159.11716	14.9
160.68335	2.9
161.13261	4.3
163.11176	48.6
165.12753	10.5
171.11729	3.9
173.09644	19.3
173.13307	7.8
175.11131	3.4
177.12740	3.7
183.11690	2.9
189.12761	2.7
191.10632	7.6
195.13710	2.8
212.24113	3.4
239.17906	7.2
254.74323	2.5
257.18973	10.7
275.20090	48.1
275.23087	2.5
307.22675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01871	46.7
55.05510	13.2
57.03420	2.9
59.32219	1.5
65.03919	1.5
67.05506	21.2
67.34475	1.2
69.07068	14.9
71.08630	1.5
71.42336	1.5
78.52209	1.4
79.05495	19.5
81.03441	2.2
81.06599	1.4
81.07063	24.4
83.04964	5.3
83.08612	3.9
85.06498	1.6
91.05479	17.0
93.07035	19.8
95.04957	7.3
95.08609	11.1
97.06531	100.0
97.10168	4.4
99.08094	2.0
105.07029	17.5
107.04955	11.4
107.08595	14.2
109.06498	6.2
109.10191	6.4
111.08083	2.7
117.07005	5.6
119.08595	10.4
121.06538	3.3
121.10142	7.7
123.08076	1.6
123.11703	1.7
125.09602	4.6
131.08554	7.3
133.10143	10.8
135.08046	5.0
135.11676	5.7
137.09584	4.1
139.07564	3.0
143.08589	2.0
145.10129	5.6
147.11713	5.9
149.09645	9.0
149.13261	1.8
151.11195	4.4
159.11729	7.5
161.13235	1.7
163.11163	5.4
165.09100	2.9
169.10112	2.1
171.11745	1.9
173.13318	2.3
177.12727	4.8
179.14261	6.4
187.11174	2.3
203.12730	2.1
213.07532	1.2
219.17482	4.5
239.17940	2.6
247.20573	6.4
257.18951	6.2
275.20056	69.6
307.22672	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	15.5
55.01878	24.9
55.05516	21.9
67.05506	39.8
69.03421	3.2
69.07072	31.2
69.88667	6.6
69.89061	7.3
79.05497	42.1
81.03416	24.4
81.07056	62.2
83.04980	8.7
83.08616	9.0
85.06544	5.2
85.94892	2.4
91.04975	3.6
91.05486	36.3
93.07045	38.5
95.01340	4.4
95.04962	10.6
95.08607	28.6
97.06540	46.6
97.10189	6.5
105.06394	3.8
105.07040	49.2
107.04962	28.9
107.08598	33.9
109.06517	6.0
109.10158	8.7
111.08102	5.8
117.07056	12.3
119.08598	33.7
121.06497	3.6
121.10138	9.0
121.86382	2.5
123.08079	8.9
125.09619	13.8
129.06999	4.1
131.08583	21.7
133.10132	40.0
135.08040	10.8
135.11714	14.4
137.09555	5.8
139.07498	4.3
141.07059	2.6
143.08565	3.8
145.06494	4.7
145.10109	17.0
147.11662	15.1
149.09627	23.3
149.13292	10.4
151.11185	4.1
153.09114	3.3
159.11699	20.6
161.13217	5.2
163.11168	7.1
165.09117	4.6
173.13249	3.3
177.12749	19.4
179.14333	15.7
187.11147	8.4
188.89799	2.5
203.12823	12.0
205.12215	4.1
209.15367	7.0
219.17456	6.6
229.19508	3.0
239.17938	4.8
247.20549	5.4
257.19000	8.4
275.20053	100.0
307.22668	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	307.2267
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
53.03948	2.3
55.01874	4.4
55.05511	7.9
57.03419	0.4
57.07055	0.8
59.04992	0.7
65.03934	0.6
66.82162	0.3
67.05504	10.8
69.03412	0.6
69.07064	6.8
71.04977	0.6
71.08624	1.1
71.57032	0.5
73.06531	0.3
79.05010	0.3
79.05490	9.1
81.03419	4.0
81.07055	14.0
83.04986	1.7
83.08617	3.9
85.06540	0.9
90.58674	0.3
91.05481	7.8
93.07043	8.6
95.04969	7.0
95.08611	8.8
97.06523	5.9
97.10160	2.5
99.08085	0.7
103.05482	0.3
105.06316	0.5
105.07032	9.7
107.04954	6.8
107.08595	6.4
108.05729	1.5
109.06512	3.7
109.10175	2.5
111.04330	0.3
111.08089	0.8
113.09719	0.3
113.34083	0.3
115.05418	0.3
117.07024	3.2
118.55686	0.3
118.98642	0.3
119.05061	0.4
119.08575	5.1
121.06502	5.3
121.10134	3.0
122.07310	0.3
123.08068	3.5
123.11686	1.0
125.09599	1.8
129.07024	0.6
131.08582	3.5
133.06502	0.4
133.10126	4.7
135.08067	2.1
135.11700	2.7
137.09637	0.9
139.07462	0.4
141.06964	0.9
143.08568	0.9
144.89490	0.3
145.06480	0.7
145.10098	2.7
147.08060	0.7
147.11668	2.3
149.09607	2.7
149.13239	1.2
151.07620	0.3
151.11205	2.5
153.09099	0.4
154.07916	0.3
155.08525	0.3
155.10730	0.3
156.25963	0.3
157.10158	0.5
159.08063	0.4
159.11687	3.4
161.13271	1.5
163.11203	2.4
164.11978	1.9
165.09070	0.5
165.12730	1.6
169.10146	0.6
171.11653	0.7
173.13266	1.1
175.11131	0.6
177.12738	3.7
179.14297	1.0
183.11676	0.8
187.04842	0.3
187.11176	1.6
187.14801	0.6
189.12743	0.4
191.14342	0.6
197.13280	0.3
201.12799	0.5
201.16391	0.5
203.12787	1.2
205.12277	1.0
209.15421	0.7
215.18025	0.4
217.15948	0.6
219.13808	0.5
219.17592	0.3
229.19603	1.0
233.19054	0.4
237.14900	0.3
239.18001	0.9
247.20554	0.9
251.16504	0.8
257.19040	2.3
275.20050	16.3
289.21671	0.6
307.22665	100.0
308.22913	0.8
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	Methyl haplodesertoate
Peak:m/z	Relative Intensity
51.20061	1.4
51.42778	1.6
53.03934	3.0
55.01874	17.4
55.05518	20.8
55.89811	1.5
57.03431	1.5
61.49552	1.6
65.03936	1.6
66.00650	1.4
67.05507	30.3
69.03426	2.3
69.07079	13.2
70.21520	6.2
70.21870	2.1
71.04996	2.2
76.50314	1.5
79.05495	36.0
81.03427	3.3
81.07063	27.3
83.04977	4.6
83.08619	12.5
85.06542	2.4
91.05488	25.4
93.07062	24.4
95.04956	5.1
95.08620	18.7
97.06538	24.4
97.10185	15.4
105.07037	28.8
107.04952	8.1
107.08598	68.3
109.06533	7.4
109.10165	8.6
111.08084	2.6
117.07013	5.8
119.08605	16.6
121.06522	3.2
121.10160	11.1
123.08067	5.1
123.11693	2.3
125.09648	19.4
131.08577	10.1
132.38887	1.7
133.10135	19.1
135.08047	7.7
135.11676	7.5
137.09613	4.2
143.08597	1.8
145.10118	15.6
147.11716	9.7
149.09641	17.6
151.11156	3.7
153.09132	6.0
155.10695	1.9
157.10139	3.4
157.12216	1.9
159.11719	11.3
161.13307	5.1
163.11205	5.5
164.17815	1.6
165.12854	1.9
171.11690	3.7
173.13312	5.7
177.12700	2.9
181.12309	1.8
187.11116	2.4
187.69354	1.6
191.14345	2.3
197.13301	2.8
203.12802	22.7
229.19530	6.5
239.17957	6.6
247.20576	4.9
257.19019	16.0
275.20078	100.0
289.21631	16.3
307.22678	24.6
307.28336	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	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
53.50320	2.3
55.01877	19.4
55.05307	1.7
55.05512	18.1
57.03426	6.0
65.03916	2.6
67.05500	26.7
69.03428	2.4
69.07067	15.6
69.89411	9.6
71.04972	2.7
72.51850	1.8
79.05067	2.9
79.05495	38.2
81.03384	3.3
81.07059	32.9
83.04974	4.8
83.08608	10.6
85.06528	2.5
86.25136	1.6
89.59092	1.9
91.05482	29.3
93.07042	30.2
95.04957	7.7
95.08607	24.8
97.06538	31.7
97.10172	17.2
105.07032	31.2
107.04987	10.5
107.08601	79.4
109.06519	6.0
109.10169	11.1
111.08068	3.5
117.06997	11.1
119.08590	19.8
120.39489	1.6
121.06491	5.1
121.10143	10.6
123.04470	2.1
123.08046	5.2
123.11690	5.5
125.09637	15.2
131.08598	14.4
133.10129	21.5
135.08029	7.6
135.11667	7.3
137.09647	4.0
143.08569	2.7
145.10124	17.7
147.08051	2.8
147.11708	16.6
149.09627	18.2
149.13258	3.7
150.94427	1.5
151.11203	3.2
153.09081	5.0
157.10118	4.5
157.12207	2.8
159.11688	14.3
161.09587	1.8
161.13249	7.8
163.11200	8.6
165.09096	2.5
165.12764	1.8
169.10110	3.8
171.11734	2.7
173.13268	7.7
175.14873	2.7
177.12761	4.1
181.12248	2.9
183.11671	2.8
185.13289	5.8
187.11162	2.9
203.12772	19.0
203.14409	4.0
215.14406	2.5
219.17390	9.1
229.19531	4.1
235.16867	5.1
239.17970	9.4
247.20593	5.2
257.19034	16.0
275.20071	100.0
289.21750	11.1
307.22751	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	307.2266
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
55.01871	8.0
55.05264	2.1
55.05513	21.3
65.03925	1.5
67.05505	19.0
68.59806	1.1
69.03429	2.8
69.07069	9.8
69.33392	8.3
71.04993	1.3
79.05492	37.8
81.03419	1.7
81.07064	18.5
83.04977	4.0
83.08609	13.1
85.06546	2.1
91.05481	23.4
91.06019	1.8
93.07040	19.9
95.04965	3.9
95.08616	8.3
96.95138	1.2
97.06528	9.6
97.10161	23.0
105.07040	27.3
107.04961	10.1
107.08595	100.0
108.08909	1.3
109.06531	4.0
109.10136	6.2
111.08090	1.6
117.07015	6.7
119.08572	12.4
121.06506	1.4
121.10129	8.4
123.11703	1.9
125.09631	28.2
129.06989	1.3
131.08563	7.3
133.10123	15.0
135.08044	6.8
135.11725	5.1
143.08594	1.4
144.77217	1.2
145.10138	12.4
147.11688	12.3
149.09622	16.6
153.09093	6.5
157.10112	2.3
157.12268	3.5
159.11679	7.2
161.13268	3.5
163.11189	3.7
169.10143	1.4
171.11716	3.3
173.13289	3.1
175.11142	1.2
177.12791	2.4
181.12273	2.7
183.11697	2.3
187.11218	1.9
189.12813	1.1
197.13208	1.7
203.12770	30.5
210.10916	1.2
229.19498	1.8
239.17955	7.3
247.20667	2.4
257.19022	12.3
275.20062	59.3
276.20413	1.3
278.52527	1.3
289.21622	13.3
307.22598	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	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
55.01869	15.8
55.05262	2.2
55.05513	20.1
55.98004	1.7
56.44098	1.5
57.03434	1.6
67.05178	1.8
67.05505	24.0
69.03410	2.9
69.07071	13.9
69.78477	6.8
71.04988	1.9
79.05060	2.8
79.05492	35.1
81.03416	2.6
81.07053	24.0
83.04971	5.5
83.08608	11.6
91.05476	21.7
93.07042	20.3
95.04984	5.7
95.08607	16.5
97.06542	29.4
97.10182	16.4
105.07030	25.8
106.73232	1.6
107.04957	8.8
107.08596	78.9
109.06522	4.5
109.10143	10.7
111.08074	3.2
117.07037	5.9
119.06047	1.6
119.08585	18.1
121.06528	4.1
121.10146	12.5
123.08059	3.1
123.11688	2.9
125.09637	25.0
126.20526	1.6
131.08562	9.6
133.10127	19.1
135.08067	10.4
135.11693	7.2
137.09563	2.0
141.09132	1.9
145.10136	17.7
147.11699	10.9
149.09634	22.2
149.13245	3.0
151.11169	3.6
153.09143	5.5
153.12779	2.8
157.10057	3.7
157.12273	2.4
159.11667	9.0
161.13293	3.9
163.11172	7.8
165.09123	3.3
165.12810	1.6
169.10080	2.2
171.11642	3.6
173.13260	6.0
175.11194	2.2
177.12785	2.4
181.12210	1.9
183.11674	3.1
187.11269	3.0
191.14351	2.5
197.13158	1.8
203.12784	25.3
229.19493	6.6
239.18013	8.6
247.20564	5.7
257.18997	18.8
275.20062	100.0
289.21637	13.5
307.22672	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	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30887	1.4
50.65365	1.3
52.05000	1.5
52.28182	1.4
53.03940	3.9
55.01871	10.3
55.05510	21.4
57.03422	4.7
65.97604	1.5
67.05173	2.6
67.05508	36.0
69.07064	16.8
69.33760	13.6
69.34138	2.4
79.05493	43.0
81.03410	4.3
81.07063	53.0
83.04969	6.1
83.08627	11.6
85.06538	3.0
91.05482	31.2
93.07045	32.7
95.04982	7.6
95.08607	28.3
97.06539	14.4
97.10155	6.6
99.08057	1.8
105.07030	38.3
107.04965	11.0
107.08598	47.3
109.06524	16.2
109.10151	12.8
111.08077	4.6
117.06323	1.7
117.07000	9.3
119.07801	2.8
119.08591	37.6
121.06507	3.2
121.10142	16.7
123.08051	4.9
123.11703	4.9
125.09624	10.3
129.06993	3.4
131.08588	12.0
133.10126	23.9
135.08054	8.0
135.11684	7.7
137.09625	5.5
143.08490	2.3
145.10126	16.0
147.08005	2.0
147.11691	14.4
149.09618	11.9
149.13251	2.5
151.11172	5.4
155.08562	2.7
157.10173	3.3
159.11676	11.7
161.13239	6.7
163.11221	8.5
163.14745	2.2
165.12703	4.6
169.10080	4.1
171.11676	3.0
173.13318	7.8
175.11287	3.4
175.14880	1.8
177.12672	2.2
183.11702	2.3
185.13264	1.8
189.12721	1.9
193.12340	1.6
197.13315	3.3
197.27739	1.6
201.16304	2.6
203.12737	5.9
203.14458	2.0
211.14883	2.4
219.17493	8.2
229.19521	4.8
233.89360	1.7
239.17958	8.8
247.20578	6.9
257.18976	18.7
275.20071	100.0
289.21576	8.0
307.22717	27.4
307.28122	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	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
52.09708	1.7
53.03941	5.6
53.04548	1.6
55.01871	17.4
55.05266	2.5
55.05512	35.2
57.03452	4.2
59.04998	2.0
62.02112	1.6
67.05177	3.4
67.05505	46.6
69.03428	4.4
69.07065	19.6
69.34071	1.7
69.90294	8.1
79.05491	55.2
81.03413	5.6
81.07054	52.2
83.04980	6.5
83.08603	21.1
85.06557	3.0
91.05483	37.8
93.07042	38.3
93.07619	2.2
95.04961	15.0
95.08604	30.6
96.78319	1.8
97.06532	26.7
97.10157	21.4
105.07023	36.6
107.04966	19.1
107.08594	83.7
109.06524	12.0
109.10155	14.1
111.08051	4.5
117.07023	11.1
118.41312	1.9
119.08578	24.8
121.06499	5.5
121.10143	18.0
123.08058	8.4
123.11687	2.9
125.09631	25.0
129.06978	3.1
131.08560	14.0
133.10147	24.0
135.08072	13.3
135.11719	10.0
137.09569	7.0
139.11185	3.3
143.08585	2.3
145.10121	17.3
147.11703	14.7
149.09625	23.3
149.13222	2.7
151.11153	7.3
153.09111	6.9
155.08580	3.2
157.10138	3.0
157.12238	2.2
159.11652	11.4
161.09610	2.6
161.13278	5.0
163.11224	12.4
163.14803	2.6
165.12766	4.5
169.10086	3.5
171.11703	4.6
173.13248	8.2
175.11183	3.1
177.12776	4.4
181.12245	2.2
187.11189	4.3
197.13168	3.3
203.12776	22.1
215.39404	2.6
217.14360	2.9
220.33920	2.0
229.19571	4.3
233.15414	2.2
239.17920	8.2
247.20584	6.8
257.18988	19.1
275.20056	100.0
289.18478	3.6
289.21719	12.0
307.19449	2.8
307.22659	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	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03939	3.3
55.01876	13.6
55.05512	20.2
57.03435	2.8
57.07061	6.1
65.03919	1.7
67.05502	32.3
69.03422	1.6
69.06738	1.4
69.07073	22.0
70.73626	3.3
71.04987	3.2
74.95225	1.4
79.05067	2.3
79.05497	26.6
81.03423	9.3
81.07053	36.4
83.04979	7.5
83.08620	12.6
85.06537	3.2
91.05482	21.1
93.07045	30.9
95.04971	15.8
95.08612	29.6
97.06522	18.8
97.10169	6.9
103.05396	1.5
105.07027	24.5
107.04971	11.2
107.08589	21.1
109.06522	12.1
109.10172	11.7
111.08053	4.5
117.06976	6.9
119.08595	16.3
121.06522	6.3
121.10142	14.3
123.04461	1.8
123.08065	13.0
123.11728	3.1
125.09670	6.4
129.06976	3.1
131.08572	14.1
132.83330	1.7
133.06479	2.1
133.10139	20.4
135.08037	6.1
135.11687	7.7
137.09622	18.7
137.13258	2.4
139.07529	1.9
143.08585	2.8
145.06497	2.9
145.10135	14.7
147.08052	3.0
147.11691	11.3
149.09621	14.8
149.13232	4.3
151.11192	9.4
153.12805	1.6
157.10143	3.1
159.08057	2.2
159.11697	9.2
161.09634	3.0
161.13211	3.7
163.11194	13.0
163.14874	2.9
165.09103	3.4
165.12749	3.3
169.10207	1.9
171.11693	3.3
173.13239	6.8
175.11249	1.4
177.12790	4.0
179.10638	1.6
179.14339	1.5
183.11694	3.1
187.11189	3.3
191.14293	2.6
193.12280	1.7
197.13206	3.0
205.12199	1.8
207.13806	2.8
218.34094	1.5
219.13841	3.8
229.19551	4.1
239.17934	6.1
247.20537	7.1
249.18539	1.7
257.19067	14.2
271.24969	1.4
275.20050	100.0
283.35016	1.4
289.21695	5.9
307.22659	70.6
308.29446	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03943	5.1
55.01872	56.2
55.05514	23.4
57.03433	4.4
64.70421	2.1
65.03943	2.7
67.05506	49.3
69.03426	3.8
69.04709	2.0
69.07069	24.9
70.04818	7.7
70.05231	3.6
71.04996	2.2
79.05491	44.0
81.03413	4.9
81.07059	55.1
83.04984	10.4
83.08618	8.5
85.06536	4.2
91.05482	32.5
93.07043	43.1
95.04967	15.4
95.08611	37.1
97.05917	5.0
97.06536	89.0
97.10181	5.6
98.20807	3.1
99.08107	2.2
105.07037	36.2
107.04966	15.7
107.08596	41.2
109.06525	12.7
109.10147	12.7
111.08067	7.7
111.89258	2.1
112.83812	2.1
117.07001	13.8
119.08582	32.3
121.06516	7.2
121.10161	22.7
123.08079	7.6
123.11706	4.1
125.09637	7.9
129.07007	4.2
131.08577	17.5
133.10133	21.6
135.08073	7.8
135.11702	18.1
137.09613	9.5
137.13257	7.5
139.07545	7.2
139.11330	2.5
141.06972	3.2
143.08578	5.2
145.10118	25.7
147.11667	14.6
149.09637	30.3
149.13269	5.7
151.11227	7.2
157.10086	4.6
159.11679	16.6
161.09607	4.2
161.13264	6.8
163.11203	25.6
165.12712	3.3
169.10127	4.6
171.11642	4.1
173.13248	8.7
175.11218	3.5
175.14775	2.3
177.12762	7.5
179.14336	2.5
183.11700	5.2
185.13170	3.0
187.11186	4.8
191.14293	3.8
196.28751	2.0
197.13239	2.9
199.14771	3.2
201.12840	2.5
203.12756	5.2
205.12155	3.7
216.87149	2.4
229.19540	6.2
239.17932	12.2
239.60548	2.2
247.20618	9.4
257.19009	22.0
275.20071	100.0
284.94437	2.4
289.21603	11.1
307.22678	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	307.1906
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03934	5.4
54.76592	1.1
55.01877	17.8
55.05512	32.5
57.03433	8.1
57.07078	1.3
59.04993	1.5
65.03932	2.8
67.05505	32.9
69.03428	2.0
69.07067	14.2
69.23503	10.6
71.04971	2.7
79.05495	53.5
81.03429	4.5
81.07059	41.4
83.04989	14.3
83.08618	16.3
85.06528	3.5
91.04910	1.4
91.05482	35.4
93.07043	37.6
95.04976	9.3
95.08051	2.1
95.08611	23.0
97.06536	22.9
97.10172	22.0
99.08089	1.6
105.07036	43.6
107.04960	15.9
107.08597	95.3
109.06523	10.9
109.10152	9.6
111.08096	4.0
113.70364	1.2
115.05420	1.8
117.07014	11.1
119.08588	28.8
119.09393	1.1
121.06490	6.5
121.10152	16.1
123.08060	5.8
123.11691	2.7
125.09637	23.2
129.07024	3.4
131.08556	16.3
133.06537	1.9
133.10132	20.5
135.08047	10.4
135.11717	7.0
137.09615	3.2
137.13171	1.4
141.07018	1.9
143.08575	4.7
145.06572	1.3
145.10136	18.4
147.08040	1.8
147.11678	16.1
149.09627	20.6
149.13242	2.2
151.11154	3.4
153.09131	5.7
157.10152	3.1
157.12225	2.5
159.11729	12.9
161.09583	3.5
161.13257	7.4
163.11162	8.5
165.09109	2.6
165.12737	2.8
169.10101	2.2
171.11684	4.9
173.11954	1.3
173.13200	7.3
175.11243	2.3
175.14867	2.0
177.12790	5.1
179.14281	1.3
181.12270	3.7
183.11725	1.9
185.13239	6.5
187.11234	2.7
197.13249	3.3
201.12743	1.4
203.12764	24.1
203.14310	2.2
205.12239	2.5
215.17847	1.7
219.17467	9.5
222.39517	1.1
229.19507	4.5
235.16940	4.7
239.17924	7.5
247.20604	3.6
257.19000	17.7
261.18481	1.4
275.20068	100.0
289.18079	4.3
289.21640	18.4
307.19351	2.3
307.22662	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1904
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03949	11.1
55.01879	11.9
55.05513	51.0
57.03438	22.2
57.07074	3.2
58.54766	1.7
59.04578	2.0
59.04996	6.4
62.76747	2.0
65.03939	2.0
67.05507	35.3
69.03438	3.3
69.07066	9.4
71.05000	4.3
71.26773	3.4
79.05492	32.4
81.03414	20.1
81.07062	48.5
83.04984	97.0
83.08626	8.7
85.06538	3.4
91.05478	27.4
93.03412	2.9
93.07047	32.4
95.04989	12.1
95.08611	24.7
97.02903	2.0
97.06532	9.0
97.10161	7.2
99.04455	4.5
105.07029	27.0
107.01308	2.7
107.04968	20.5
107.08601	23.3
109.06516	15.1
109.10152	6.9
111.04444	59.4
111.05219	3.4
111.08081	4.6
117.07033	13.0
119.08575	20.4
121.02853	7.0
121.06516	11.9
121.10156	10.2
123.04430	5.6
123.08053	13.5
123.11789	2.2
125.05980	2.9
125.09663	4.4
128.08417	1.9
129.07018	6.7
131.08556	18.4
133.06487	5.8
133.10133	13.8
135.04416	3.7
135.08073	10.5
135.11726	9.1
137.05949	2.8
137.09634	4.7
139.07565	3.2
141.07037	2.4
143.08620	3.0
145.06482	6.2
145.10104	12.4
147.08075	11.1
147.11713	7.3
149.06004	7.0
149.09610	8.0
149.13205	3.7
151.11238	2.9
155.08624	2.7
157.10155	3.8
159.08064	7.2
159.11739	12.8
161.09660	5.4
161.13336	5.1
162.07964	2.1
163.07561	6.2
163.11191	8.3
165.09177	3.6
165.12766	2.4
169.10123	5.8
171.11708	6.9
173.09605	4.4
175.11189	4.0
177.09067	2.6
177.12759	25.2
178.13406	2.6
183.11684	2.7
187.11206	11.1
187.14803	3.9
189.12817	5.8
197.13396	2.8
205.12210	12.3
205.15903	6.7
207.13844	6.9
215.10620	4.2
223.13368	4.1
225.16449	3.7
233.11752	20.8
233.15334	17.2
243.09058	5.8
243.17529	7.1
253.15857	2.6
257.18881	4.1
261.10199	2.5
261.18509	18.4
271.16943	29.8
275.20059	21.4
289.17993	100.0
289.21225	3.5
307.19116	34.8
307.22681	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	307.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05048	2.5
56.96560	1.3
58.06600	3.9
59.34670	0.4
61.02941	0.7
64.98336	0.4
67.05479	0.5
69.03432	1.4
69.07077	0.6
69.72169	2.8
70.06603	1.3
79.05504	0.8
81.07069	1.6
84.04507	22.7
84.08146	100.0
85.02896	2.0
85.06524	0.5
86.06065	6.5
86.09715	6.3
88.04016	1.2
96.04494	0.7
97.02909	1.5
98.20800	1.0
98.97580	1.6
98.98483	1.6
99.09151	0.5
116.98579	0.7
121.06432	0.5
127.03933	0.6
127.07549	1.3
130.08685	1.1
131.01820	0.6
137.05978	1.7
141.13885	5.7
143.52776	0.6
144.61629	0.5
147.04361	0.6
153.11557	0.6
155.00989	0.6
166.20950	0.5
168.05444	1.3
169.13368	8.9
177.05510	0.7
198.11230	2.4
208.57433	0.6
215.13914	37.4
243.17056	53.5
262.11035	4.3
265.04959	1.1
266.58392	0.5
289.08701	0.6
289.11774	0.7
307.16843	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	307.1904
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
52.91735	3.1
53.03952	6.2
55.01867	26.1
55.05514	49.0
57.03440	86.8
57.07080	4.1
61.77875	3.7
65.03953	3.8
66.25600	2.9
67.05167	5.6
67.05506	72.4
69.03423	5.4
69.07076	22.7
70.81761	7.8
71.04962	5.9
79.05071	4.8
79.05499	58.0
81.03424	9.4
81.07058	67.5
83.04983	80.7
83.08611	13.8
85.06552	7.2
90.49864	3.4
91.05482	65.8
93.07046	63.1
95.04961	20.1
95.08607	47.2
97.06527	28.5
97.10173	10.5
98.49723	3.5
99.04446	12.6
105.07032	48.4
107.04960	78.7
107.08598	53.5
109.06527	33.4
109.10160	13.3
111.04462	41.2
111.08070	8.7
117.07036	19.5
119.08559	36.2
121.06510	14.8
121.10123	18.4
123.04408	4.6
123.08046	10.1
125.05994	8.4
125.09618	10.1
128.06180	3.8
129.07019	11.9
131.08575	34.3
133.06502	12.5
133.10121	31.4
135.08052	22.8
135.11690	14.1
137.05969	10.6
137.09633	16.3
139.07608	5.0
141.07040	5.0
143.08575	6.0
145.06502	7.7
145.10126	33.5
147.08051	10.5
147.11656	22.9
149.05992	10.6
149.09624	17.7
149.13260	6.8
151.07602	4.1
151.11136	5.4
155.08580	12.4
157.10080	8.5
159.08102	21.7
159.11705	15.0
161.09604	11.7
161.13217	7.3
163.07549	7.3
163.11156	20.8
165.09109	4.1
169.09991	7.8
171.11665	10.5
173.09653	12.4
173.13287	8.8
175.07552	3.6
175.11197	9.2
175.56772	3.6
177.09081	5.5
177.12753	26.4
178.13461	6.3
179.14380	4.4
183.41287	3.3
185.13271	6.3
187.11160	8.6
187.14870	10.3
189.12738	5.3
197.13268	8.2
201.09009	3.9
201.12892	3.6
203.12706	7.3
205.15852	18.7
215.14346	9.9
215.18117	5.9
225.16283	3.5
229.19528	3.8
233.15372	44.9
239.18005	5.1
243.17503	13.3
247.20518	4.9
253.15788	8.4
257.19144	6.6
261.18478	34.6
271.16922	26.8
275.20084	75.7
289.18008	100.0
289.21317	10.5
307.18771	12.0
307.22653	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	307.1289
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
51.56549	0.4
55.01859	1.5
55.05509	0.8
56.96561	0.9
60.04504	0.9
67.05501	1.1
69.03438	0.4
69.07053	1.1
69.19967	3.9
71.05007	0.5
73.02906	0.6
74.06067	0.4
75.33214	0.3
79.05484	1.5
80.78204	0.4
81.07035	1.1
85.02878	0.7
87.08112	1.5
88.07564	0.4
88.08438	1.0
91.05476	1.8
93.07034	0.9
94.06590	0.5
95.04965	0.4
95.08600	1.0
97.02895	0.4
97.06513	1.1
98.06028	0.9
98.97578	1.1
105.07014	1.2
107.08606	1.1
108.04470	0.6
109.10144	0.9
115.53500	0.4
120.58745	0.4
121.10080	0.4
122.06032	1.7
124.07582	0.7
129.07010	0.5
131.08594	0.5
133.06508	0.7
135.08022	2.2
136.07594	1.0
137.06009	0.8
138.05521	0.5
140.07059	1.6
145.10149	0.8
150.05511	0.6
159.08009	0.5
159.09192	0.5
160.07607	1.1
163.08685	1.2
164.07086	0.8
168.06586	1.5
174.09131	1.9
176.07083	0.7
177.10231	0.7
178.08632	12.7
180.06529	0.9
182.08174	0.8
184.07564	1.2
186.09198	0.5
187.07404	0.7
188.07098	2.8
191.08095	0.8
192.10115	0.5
196.09688	0.5
198.09142	1.4
199.08847	0.5
199.10732	0.4
201.06633	0.8
201.10333	2.5
202.08641	4.2
204.10280	0.8
205.09746	3.3
206.08156	2.5
212.07065	0.6
215.11858	0.5
216.10327	2.2
219.07715	1.0
219.11278	4.1
220.09708	2.6
225.10211	0.8
226.08589	1.1
229.09702	4.4
230.08141	3.2
243.11247	1.4
244.09641	3.2
247.10788	11.7
247.13248	1.0
248.09210	1.2
253.09822	0.6
254.08170	0.6
261.12445	1.4
262.10754	2.0
265.11829	13.3
271.10840	2.0
272.09131	1.2
275.20343	1.1
276.12317	1.5
283.08530	0.5
289.11829	15.5
289.16110	1.1
290.10321	0.8
307.12885	100.0
307.22571	2.9
308.15485	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	307.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01868	1.5
55.05500	0.8
56.96559	1.0
57.03432	0.3
67.05503	0.7
67.23012	0.3
69.03431	1.2
69.07059	1.0
69.58665	2.1
70.06594	0.7
73.02921	0.5
77.24775	0.3
79.05477	1.1
81.03420	0.5
81.07046	1.5
84.04454	0.4
85.02934	0.5
86.09700	0.7
91.05458	1.3
93.07029	1.1
94.06577	0.7
95.04976	0.6
95.08595	0.7
97.02888	0.4
97.05245	0.3
97.06525	0.9
98.06039	0.7
98.97575	1.4
98.98454	0.4
105.07035	1.2
106.06527	0.5
107.08597	1.6
108.04465	0.7
109.06583	0.6
109.10156	1.2
114.12794	0.7
115.05440	0.4
116.98623	1.0
117.07022	0.5
119.08566	0.9
120.04497	0.5
120.08083	0.5
121.10142	0.9
122.06043	2.0
123.04401	0.5
123.08032	0.5
124.07594	0.7
125.09630	0.4
129.06989	0.5
131.07307	0.4
131.08580	0.6
133.10095	0.5
135.08037	2.0
136.07564	1.0
137.05998	0.5
138.05493	0.4
140.07048	1.6
142.03368	0.5
142.53619	0.5
144.08122	0.4
146.05974	0.8
146.09631	0.4
148.03937	0.5
148.07533	0.4
149.05980	0.5
149.09593	0.6
150.05475	0.6
150.09204	0.5
155.01015	0.4
158.09663	0.5
158.99658	0.8
159.09210	0.5
160.07600	1.7
163.03970	0.5
163.07498	0.4
163.08696	1.3
164.07071	0.6
168.06551	2.0
170.06087	0.4
170.09691	0.5
172.07619	0.4
173.07114	0.4
173.10777	0.6
174.09132	2.6
175.08768	0.5
175.14824	0.5
176.07039	0.4
176.10780	0.6
177.00783	0.5
177.10262	1.4
178.08627	12.5
182.08188	0.5
184.07518	1.8
186.09198	0.6
187.08719	1.3
188.07063	3.2
188.08739	0.4
188.09343	0.4
188.10854	0.4
189.10307	0.6
189.12730	0.4
191.05280	0.6
191.08147	2.4
191.55344	0.5
196.09718	0.5
198.09189	1.8
201.06630	1.1
201.10330	2.8
202.08627	5.3
205.09717	3.6
206.08150	2.3
212.07051	1.1
213.07773	0.6
215.08296	0.4
215.11852	0.6
215.13966	0.3
216.10254	2.5
219.01854	0.4
219.07687	1.3
219.11267	4.9
220.09705	1.4
225.10188	0.5
226.08775	1.6
228.10397	0.4
229.09750	4.5
230.08093	3.8
243.11163	1.5
244.09682	3.8
247.10771	10.5
248.09187	0.7
254.56953	0.4
261.05444	0.5
261.12640	1.3
262.10818	1.5
263.57428	1.6
265.05081	0.6
265.11838	12.4
266.05206	0.4
270.79718	0.3
271.10825	2.4
272.09183	1.5
275.20129	0.4
275.57401	0.4
279.06580	0.5
284.58038	0.8
289.11816	14.6
290.10257	1.1
297.57101	0.9
306.57571	1.9
307.12881	100.0
308.13293	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52374	3.0
56.96555	7.0
63.21641	2.4
71.15202	6.5
82.99838	3.4
85.02892	3.8
98.97588	11.2
100.99183	3.2
101.00875	22.4
103.02490	2.7
107.50945	2.7
110.97575	2.8
113.00864	6.3
115.02470	8.2
119.01924	22.6
121.03465	3.0
131.01909	11.8
133.03455	9.6
137.60832	3.0
143.01894	10.0
145.03456	12.9
155.01874	8.7
157.03522	13.3
161.02919	8.7
163.02699	2.9
169.03519	3.2
173.02945	9.6
175.04539	6.7
185.02933	3.4
187.00861	10.7
187.02710	3.9
187.04500	6.9
199.04562	3.5
203.03995	6.2
205.02069	3.7
215.00357	10.7
217.84940	2.7
221.05049	9.6
229.01888	4.5
234.72374	2.8
247.03029	20.2
247.06763	15.9
260.80884	2.8
261.03070	20.3
265.04840	3.3
265.07709	24.1
266.03607	6.4
288.14374	3.1
289.03894	4.2
307.07993	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96295	3.1
56.96564	55.0
57.03439	2.0
69.03424	4.2
70.28851	7.6
70.98123	68.2
71.95276	1.6
73.02908	4.1
74.97615	5.1
82.99851	5.3
84.96020	2.5
85.02903	8.7
86.97632	2.2
88.99164	42.4
89.02338	2.1
97.01350	2.5
97.02888	3.6
98.97587	67.9
99.04382	2.0
100.99116	4.6
101.00893	38.8
103.02462	3.4
104.10745	3.1
106.02733	1.7
107.00187	6.3
110.02998	1.9
110.96880	1.9
110.97551	9.6
112.99099	2.0
113.00874	6.9
115.02431	11.4
116.98616	21.6
119.00184	2.2
119.01925	50.5
126.05466	1.8
127.02431	1.9
127.03913	4.8
128.98605	64.1
129.03961	3.6
131.00208	10.7
131.01884	12.1
133.03448	22.0
134.99669	4.0
135.04956	1.9
137.02982	3.9
138.05524	2.2
142.03496	1.8
143.01900	14.0
144.98103	2.1
144.99792	2.6
145.03456	11.0
145.04948	2.2
146.99652	100.0
147.05072	2.8
149.01222	7.7
149.02946	2.9
155.01889	7.2
156.98065	6.7
157.03467	4.8
158.99655	6.5
159.01454	3.2
161.02974	18.1
161.04808	1.7
163.02705	4.2
163.04500	3.0
165.00728	55.8
168.99858	10.8
170.01180	2.2
172.97595	3.0
173.01480	3.3
173.02974	18.3
174.99155	23.3
175.04535	5.1
177.00760	3.3
177.02489	4.8
179.02223	1.9
183.01767	5.2
185.02965	6.6
187.00873	17.0
187.02592	3.9
189.00717	73.6
190.98650	4.7
191.03978	14.0
193.00172	15.5
196.99290	4.8
203.02310	3.3
203.04044	8.9
205.01956	6.8
205.03703	2.4
205.05550	3.1
207.01773	61.9
208.99768	2.2
215.00397	20.3
217.00169	4.9
217.02020	4.2
217.05478	5.9
219.01717	3.0
219.03531	5.9
220.57710	2.0
221.03285	7.2
221.05124	5.0
225.02870	12.7
226.05872	2.2
229.01894	15.6
230.03427	3.1
232.99658	3.5
235.01210	4.7
239.06233	2.7
244.99745	2.6
245.05139	10.9
247.01239	5.0
247.03108	38.0
251.00766	4.6
261.02911	1.8
263.06082	4.7
265.04208	4.8
265.07767	4.3
289.04083	13.7
307.03085	3.9
307.04868	7.2
307.07608	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	306.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01879	1.3
55.05513	7.2
56.05027	0.2
57.03424	0.2
57.07066	0.6
65.03927	0.4
67.05505	9.7
69.03426	0.3
69.07071	7.2
71.04999	0.2
71.08614	0.2
71.42786	0.1
72.04516	0.4
73.46661	0.1
79.05492	3.5
81.03419	0.3
81.07058	9.5
82.06570	0.2
83.04979	0.3
83.08625	3.0
85.05281	1.9
85.06554	0.2
86.06072	0.9
91.05482	2.0
93.07050	2.9
95.04966	1.0
95.08607	5.6
96.08123	0.4
97.06534	0.7
97.10166	1.0
98.06057	13.5
98.20628	0.2
99.06836	0.4
105.07044	2.2
107.04935	0.3
107.08595	1.7
109.06501	0.7
109.10159	2.3
110.09688	0.4
111.08106	0.2
111.11762	0.2
112.07607	1.8
117.07042	0.3
119.08589	2.0
120.08121	0.3
121.06470	0.2
121.10172	1.0
123.08057	0.6
123.11707	0.7
124.07594	0.4
124.11272	0.3
125.08344	0.2
125.09614	0.2
126.09132	0.6
131.08585	0.9
133.10150	1.5
135.08067	0.4
135.11684	0.6
137.05971	0.6
137.09583	0.4
137.13187	0.1
138.09102	0.3
140.10695	0.6
140.37891	0.2
145.10115	0.7
147.11688	0.9
149.09625	0.6
149.13280	0.3
151.11101	0.2
152.10703	0.4
154.12260	0.6
159.11702	0.5
161.13258	0.3
163.11224	0.4
165.12776	0.2
166.12332	0.4
168.13820	0.4
171.11653	0.2
173.13214	0.3
177.12700	0.2
180.13889	0.2
182.15392	0.5
189.58760	0.1
191.14313	0.2
194.15442	0.3
196.16983	0.6
207.13931	0.2
208.16904	0.9
210.18561	0.2
222.18605	0.6
224.20073	0.3
229.19662	0.2
236.20088	0.5
239.17972	0.2
247.20573	0.2
250.21577	0.2
257.19049	0.6
275.20062	3.6
283.12061	0.3
289.21518	0.4
289.25314	0.2
290.68842	0.1
292.94839	0.1
306.27908	100.0
307.22726	1.6
307.28226	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.1
55.01872	0.2
55.05521	0.2
58.02943	0.2
65.03934	0.2
66.04739	0.1
67.05490	0.4
69.07076	1.1
69.52445	0.1
71.08614	0.1
79.05498	0.5
81.07065	0.9
83.08614	0.2
91.05509	0.5
91.32926	0.1
93.07050	0.5
93.46340	0.1
94.04187	1.5
95.04974	0.1
95.08641	0.2
97.06531	0.4
100.07623	0.2
100.96685	0.1
105.07027	0.3
107.04944	0.2
107.08601	0.8
109.06506	0.2
109.10157	0.8
111.08053	0.1
112.86958	0.1
114.09199	0.6
122.03657	6.0
123.11737	0.1
126.09144	0.4
133.10156	0.8
135.11693	1.0
137.05984	100.0
138.06328	0.3
147.11690	0.2
151.11192	0.5
153.12756	1.1
170.15421	1.9
180.13800	0.1
182.15419	2.5
226.06520	0.1
234.37880	0.1
244.78883	0.1
275.08112	0.1
306.20657	1.4
307.07370	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	305.2111
Annotation	16beta,17beta-Dihydroxy-16-methylestr-4-en-3-one
Peak:m/z	Relative Intensity
55.01875	22.6
55.05512	8.9
57.03438	18.0
67.05507	17.3
69.03434	5.1
69.07059	5.6
71.56842	2.6
79.05498	43.0
81.07063	21.9
83.04967	2.6
83.08600	5.0
85.06528	7.2
91.05489	28.0
93.07054	23.7
95.04950	7.5
95.08611	9.6
97.06528	3.4
97.10143	2.8
105.07038	17.6
107.04955	14.5
107.08606	28.7
109.06524	66.6
109.10144	4.2
109.24841	1.9
115.05438	2.6
117.07031	12.4
119.08594	12.9
121.06506	7.0
121.10132	6.1
123.08107	2.1
124.21093	1.7
125.09614	4.2
128.06239	2.7
129.07013	8.0
130.71869	1.8
131.08562	16.5
133.10150	7.2
135.08061	100.0
135.11661	4.7
141.07001	2.5
143.08562	6.6
145.10138	13.3
147.08070	5.4
147.11674	2.3
149.09679	9.4
149.13246	2.8
157.10092	6.2
159.08060	3.1
159.11691	7.7
161.09621	10.4
161.10767	1.8
163.11237	2.5
171.11737	4.6
173.13194	3.3
175.11174	2.5
177.12769	7.3
183.11678	3.0
185.13385	2.3
189.12721	2.1
199.14825	2.8
201.12834	2.8
203.64053	1.8
217.15916	20.2
227.18066	2.4
233.15346	3.9
237.16547	3.2
245.18925	2.2
255.17464	5.9
273.18515	29.2
287.20041	3.2
305.21118	62.1
305.24597	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	305.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74771	0.8
53.03946	1.7
53.84052	0.8
55.01862	3.1
55.05519	9.8
57.03432	2.5
58.78748	0.8
65.03934	3.2
67.05510	44.3
69.03450	1.6
69.07080	5.3
69.49308	4.6
72.11843	0.9
77.03903	1.0
79.05495	16.5
81.03441	1.3
81.07063	19.5
83.04986	2.0
83.08615	2.8
89.31726	0.9
91.05483	12.8
93.06483	1.6
93.07046	17.3
95.04977	100.0
95.08602	10.0
97.06534	5.5
97.10190	2.0
97.58830	1.1
98.20808	2.3
105.07047	13.6
107.04972	8.8
107.08589	7.1
109.06535	8.2
109.10172	1.5
111.08073	3.0
115.05447	1.5
117.07029	5.3
119.08611	5.8
119.09323	1.3
121.06519	7.0
121.10130	4.7
123.08052	2.4
123.11723	0.9
129.06995	1.9
131.08569	10.6
133.06477	4.3
133.10141	3.2
135.08041	2.9
135.11720	4.8
137.05981	2.2
143.08586	6.7
145.10158	7.5
147.08052	5.9
147.11725	2.2
149.09628	2.0
149.13295	2.2
159.08127	1.0
159.11694	4.4
161.09644	2.1
163.11169	2.1
165.12689	1.2
169.10155	2.3
171.08084	0.9
171.11678	1.3
172.94069	0.9
175.11247	1.0
177.12759	3.6
181.10146	1.5
185.13341	1.1
187.11197	2.6
195.11705	1.2
205.12259	2.8
211.14844	0.9
227.17928	2.1
237.16379	1.9
245.18979	3.0
255.17337	2.5
273.18509	36.9
305.21149	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	305.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
55.01868	8.7
55.05262	5.0
55.05513	48.5
57.03437	13.0
57.07064	6.0
59.51096	3.0
65.03957	3.8
67.05506	51.9
69.03426	6.4
69.07072	29.4
70.15800	12.7
71.05000	11.4
79.05494	85.6
81.03427	6.0
81.07061	92.0
83.04982	6.4
83.08621	23.3
85.06552	8.5
91.05486	100.0
93.06470	6.6
93.07046	83.6
95.04974	11.0
95.08610	48.0
97.06523	8.6
97.10166	12.8
102.89413	3.0
103.05440	3.7
105.04492	3.7
105.07034	82.6
107.04977	14.5
107.08597	43.3
109.06514	22.4
109.07139	2.9
109.08796	2.7
109.10153	10.2
110.76220	2.6
111.08095	8.3
115.05484	5.8
117.07027	55.8
118.41040	2.6
119.08580	43.9
121.06498	13.4
121.10150	30.1
123.08066	10.9
125.09634	9.5
128.06261	8.9
129.07010	28.5
130.07773	6.9
131.08569	90.0
133.06499	10.7
133.10146	29.8
135.08060	30.4
135.11710	18.6
137.05978	4.8
137.09647	6.9
139.11145	9.5
141.07021	4.8
142.07819	3.4
143.08562	57.0
145.10126	89.3
147.08063	16.6
147.11658	15.0
149.09627	12.4
149.13329	3.8
151.11101	3.9
155.08647	5.9
157.10123	35.2
159.11687	26.4
161.09636	18.1
161.13252	7.6
161.90959	3.0
163.11234	12.5
165.06996	3.5
169.10141	12.8
171.11702	28.1
173.09662	6.7
173.13316	7.5
175.11131	14.4
177.12753	6.8
181.10071	7.2
183.11746	10.2
185.09692	5.1
185.13263	12.7
187.11203	3.4
189.12793	6.0
195.11714	10.1
199.14839	5.2
201.12733	6.3
203.12691	3.4
203.17976	4.5
209.13124	3.0
211.14876	5.1
213.12714	5.1
217.15942	5.1
227.17952	10.6
237.16362	19.4
245.19078	10.5
247.16940	5.5
255.17418	23.4
268.94324	2.7
273.18500	68.7
277.21658	8.7
287.16415	3.5
287.20023	7.9
305.17746	5.8
305.21082	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	305.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21516	0.7
53.03937	3.3
55.01872	4.3
55.05509	11.5
56.96562	9.2
57.03435	5.8
57.07068	2.2
59.04986	2.3
61.02933	7.6
65.03930	0.9
67.05507	28.6
68.05823	1.1
69.03430	7.0
69.07069	10.1
69.59686	5.5
71.04985	2.0
73.02907	6.4
77.03910	0.8
79.05486	13.3
81.03415	6.8
81.07054	21.2
82.83198	0.8
83.04961	3.5
83.08624	4.7
84.01613	1.0
85.02911	6.9
85.06522	2.9
87.04460	1.6
91.03970	4.5
91.05485	15.1
93.06476	1.3
93.07047	20.4
95.04960	9.0
95.08604	15.9
96.01578	0.8
97.02891	10.4
97.06554	4.8
97.10168	4.3
98.21470	1.9
98.97585	11.8
99.04438	2.1
100.99136	2.1
105.04524	1.1
105.07024	11.9
107.04980	5.7
107.08599	12.8
109.02287	1.2
109.06506	5.5
109.09457	1.5
109.10159	18.9
110.01300	1.4
110.97565	2.8
111.02040	1.0
111.08073	2.8
112.99150	5.1
116.06184	0.9
116.98590	2.5
117.06992	4.5
118.02844	1.0
119.01820	5.1
119.04932	1.7
119.08585	16.5
121.06486	3.0
121.10154	13.3
123.08076	3.9
123.11691	3.9
125.09617	3.7
126.52556	0.9
127.03909	2.5
128.06204	0.9
128.98581	2.0
129.02055	1.0
129.06992	3.4
131.00172	12.7
131.08563	11.6
133.06511	2.7
133.10144	7.1
134.99664	1.4
135.08022	4.5
135.11682	6.0
135.34682	0.8
137.05994	5.1
137.09619	2.4
139.07578	1.2
139.11189	1.4
141.06999	1.2
142.07753	1.8
143.00148	2.2
143.05432	1.3
143.08540	3.8
145.06480	2.1
145.10129	7.6
146.99689	1.0
147.03110	10.7
147.08095	5.3
147.11748	4.0
149.01228	13.4
149.09616	9.7
149.13277	4.5
151.07538	1.5
152.05922	4.6
153.09094	1.2
155.10583	1.3
156.03615	19.4
156.09363	1.2
157.10138	6.2
158.99660	3.5
159.08092	2.2
159.11696	7.8
161.01228	1.6
161.06508	2.0
161.09682	4.0
161.13255	2.4
163.11171	2.2
163.56799	1.1
165.09103	2.1
167.02296	2.3
167.10638	2.0
167.54413	2.6
169.10112	3.2
170.99696	2.3
171.11647	3.4
172.02786	1.3
173.09644	1.2
173.11761	2.2
173.13293	4.4
174.14012	1.0
175.11229	2.3
175.14716	1.6
177.00710	2.8
177.12721	5.8
181.10016	1.1
183.11766	1.8
185.13161	4.0
187.06190	2.3
187.11154	4.6
187.14771	1.7
189.00713	1.3
189.12709	1.8
191.02295	2.8
199.11156	1.6
199.14807	2.8
201.07854	1.1
203.02208	1.5
203.10938	1.1
203.12762	2.0
203.14516	1.6
205.12241	1.9
208.99635	1.3
209.15355	2.6
211.06377	2.4
211.14948	1.3
213.12764	1.2
213.16373	2.0
215.07564	1.5
217.03793	1.1
217.15759	1.4
219.01811	1.3
219.05182	1.4
224.08051	100.0
224.58267	9.6
227.18008	1.3
228.05737	2.2
229.07465	14.5
230.07576	1.1
231.13907	1.2
233.03284	1.2
237.16455	1.8
241.19267	1.1
244.59412	4.0
245.18930	1.9
247.08487	8.0
252.09055	1.9
255.17624	2.1
263.16449	1.0
269.18961	2.3
271.08472	1.2
273.18518	8.3
277.21710	0.9
284.13553	1.5
284.63821	0.8
287.16895	1.2
287.20062	3.7
287.23508	1.0
293.05365	2.4
295.01791	0.8
296.10199	1.5
305.10696	55.0
305.17355	4.8
305.21112	18.6
305.24539	2.9
305.28925	1.5
305.60876	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	305.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.2
53.03940	1.0
55.01871	0.3
55.05511	0.3
56.96556	0.6
57.21733	0.2
67.04599	0.2
67.05509	2.1
69.03423	0.2
69.07069	0.6
69.39557	1.5
70.06609	0.4
70.53130	0.2
70.71869	0.2
77.03506	0.2
77.03935	0.7
79.05498	0.7
80.05023	0.2
81.03439	0.4
81.07053	2.1
83.08605	0.2
85.02885	0.4
91.05480	3.4
93.05803	0.5
93.07037	3.1
94.06575	1.7
95.04960	1.3
95.08621	0.8
96.08132	0.7
97.06551	1.2
98.21435	0.4
98.97581	2.6
105.04537	0.5
105.07037	0.5
106.06561	0.2
107.08598	0.5
108.04494	0.4
108.08130	1.6
109.10163	0.6
110.97567	0.2
112.99130	0.4
116.98627	0.7
119.08622	0.3
121.10114	0.4
122.06039	6.6
124.07594	10.0
126.05514	1.1
128.98653	0.2
131.00139	0.4
131.08566	0.2
132.10184	0.3
135.08110	0.2
136.07579	100.0
137.08041	0.3
138.09114	1.3
140.00104	0.3
140.07043	1.1
143.08498	0.3
145.10065	0.4
149.01265	0.2
150.05534	0.5
152.07071	17.1
157.10077	0.2
158.99689	0.9
161.13139	0.2
162.20290	0.2
164.07066	80.5
166.08647	2.7
170.08141	5.0
173.01253	0.6
177.00793	0.2
182.08133	16.4
184.09718	1.2
191.02266	0.3
202.98573	0.5
215.41295	0.2
223.41133	0.2
242.11865	0.2
244.99789	0.3
245.13025	0.2
250.44164	0.2
287.10703	0.2
287.13892	5.9
289.94412	0.2
305.05444	1.2
305.11432	0.6
305.15033	2.3
305.18060	0.3
305.24625	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
67.05504	1.0
69.07071	0.4
71.04997	0.3
71.56068	0.3
71.56470	0.5
77.03922	0.5
79.05488	0.7
81.07050	1.1
85.02881	0.5
91.05486	2.8
93.07051	2.6
94.06577	0.5
95.04972	1.0
96.08133	0.8
97.02875	0.4
97.06548	0.7
98.97595	0.8
100.94453	0.3
105.07023	0.4
107.08587	0.4
108.04463	0.6
108.08128	1.7
116.98661	0.4
122.06023	3.1
124.07594	9.7
126.05514	1.1
130.05006	1.7
131.08629	0.6
136.07574	100.0
140.07062	1.0
150.05469	0.8
152.07065	19.1
164.07063	78.8
170.08136	6.8
173.01280	0.4
176.14317	3.3
177.09068	0.4
182.08127	17.9
224.08011	0.6
229.07312	0.3
241.09212	0.4
259.10501	0.5
266.34399	0.3
269.09085	0.4
269.12836	0.6
281.62524	0.3
287.10446	0.8
287.13846	4.9
287.16779	0.6
305.11230	0.8
305.14862	2.9
305.18292	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65710	0.4
55.01866	0.7
56.96568	4.3
57.03417	0.6
61.02909	0.7
69.03436	2.1
70.06446	1.6
70.98102	0.6
73.02925	0.5
79.05489	0.7
81.03423	1.1
81.07058	0.9
83.04950	0.5
84.04478	0.6
84.08120	0.4
84.96026	0.4
85.02901	2.8
85.06513	0.4
86.09709	1.0
87.10038	0.8
91.03932	0.5
91.05517	0.4
93.07047	0.4
95.08594	0.6
97.02921	1.8
97.06544	0.7
98.06052	1.7
98.97593	6.6
99.04469	0.4
103.02445	0.6
109.02901	0.7
110.97575	1.8
114.05524	0.4
116.98626	1.6
117.03838	0.4
124.07591	2.2
125.07915	2.2
127.03895	1.2
128.98611	1.7
137.05959	0.8
140.07063	4.2
141.08992	0.4
142.08675	0.4
143.00175	0.8
143.01886	0.5
143.06924	1.7
143.08038	0.7
146.99641	1.0
147.03258	0.5
155.04745	0.4
158.99641	1.0
161.01263	0.4
161.02928	0.5
163.02739	0.4
165.00883	0.4
170.99649	0.4
172.94385	0.6
177.00713	0.8
180.05460	1.0
185.09280	0.7
186.09506	0.5
189.00676	0.5
189.04387	0.4
189.06004	1.8
190.95441	1.2
198.06383	0.6
201.00679	0.6
203.05939	0.8
205.00037	0.6
215.05859	0.7
215.07780	0.5
219.01729	2.1
221.11452	0.4
232.96446	1.6
237.02858	3.1
250.97372	0.6
264.05582	0.6
280.94855	0.6
281.07501	0.4
287.14063	0.5
305.12088	100.0
309.08578	1.5
323.10040	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	100.0
57.03411	1.8
60.10350	1.3
69.03452	1.2
70.06620	2.0
70.07191	2.9
70.07583	3.0
70.98122	62.0
71.95261	5.1
73.02908	1.7
74.97633	1.6
78.92417	1.4
84.28779	1.4
84.96041	7.4
85.02901	4.8
88.99162	11.9
90.52280	1.3
97.02886	3.3
98.21395	2.1
98.97583	89.2
101.00905	4.4
102.96824	1.4
110.97579	13.2
112.99167	1.5
113.03455	1.8
115.00671	1.6
116.45652	1.3
116.98622	27.7
119.01909	4.1
119.89621	1.5
124.95479	12.3
124.99103	2.6
126.97044	7.0
127.00676	4.8
128.98608	14.3
130.93309	1.4
131.00137	2.0
131.01884	2.7
133.01740	2.2
134.99663	3.8
140.98601	17.4
142.96526	10.7
143.00159	4.7
143.01927	4.6
143.08176	4.3
144.98094	8.4
145.01738	3.7
145.03484	1.9
146.91837	8.7
146.99683	9.8
149.01143	1.5
152.94955	1.6
152.98630	1.7
154.96506	29.5
155.00162	2.7
155.01852	2.0
156.98051	3.5
157.03499	2.1
158.99652	20.0
160.97609	2.0
161.01270	3.2
161.02972	2.4
162.99149	3.4
165.00720	1.8
170.95993	7.9
170.99661	4.3
172.94398	5.9
172.97594	75.4
173.01234	13.2
173.02742	1.9
174.97809	1.9
174.99188	9.9
177.00740	7.9
184.97525	7.1
185.01273	2.0
185.02982	4.8
186.99187	6.7
188.97060	14.0
189.00757	13.2
190.95438	4.1
190.98633	52.7
191.02260	8.0
193.00235	3.8
201.00710	11.5
202.98616	12.6
203.02287	3.2
203.03981	5.0
205.00183	6.6
206.98123	3.4
207.01794	5.3
208.99680	6.1
212.97099	3.4
213.03586	2.2
214.95421	3.2
214.98624	33.5
215.07658	2.2
215.53816	1.5
216.98557	1.7
217.00308	2.5
219.01762	7.4
220.99794	6.8
221.01512	1.6
221.05072	2.1
230.98183	10.6
232.96469	6.9
232.99719	38.7
235.01404	2.7
244.99702	6.0
245.05093	5.3
248.84949	1.6
248.99174	8.0
250.97581	3.0
251.00644	3.0
263.00714	36.8
267.00125	1.6
274.97589	3.6
281.01804	88.2
293.69196	1.4
299.02924	11.0
304.03375	1.9
305.01828	16.0
305.05350	3.7
305.12097	13.0
322.91772	2.1
323.02893	7.2
323.06235	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	304.2632
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
53.03936	0.5
54.64639	0.2
55.01868	1.0
55.05509	4.7
56.05018	0.5
56.96544	0.3
57.03422	0.2
57.07074	1.0
58.06593	0.2
59.04994	0.4
65.03928	0.6
67.05504	19.7
69.03415	0.6
69.06725	0.3
69.07066	4.1
69.35661	0.4
69.36077	1.0
70.06599	0.2
71.04985	0.2
71.08620	0.6
72.04502	0.3
74.06070	0.3
78.46996	0.2
79.05490	7.5
80.04999	0.2
81.03405	0.6
81.07055	16.4
82.06560	0.4
83.04994	0.4
83.08625	1.7
84.04496	0.2
84.08137	0.3
85.02884	0.2
85.05282	2.8
86.06057	1.4
86.09703	0.8
91.05484	3.9
93.07043	7.3
93.07629	0.4
94.07327	0.2
95.04973	1.2
95.08604	11.9
96.08112	0.5
97.06532	0.8
97.10185	0.9
98.06051	14.6
98.09679	0.5
98.21468	0.3
99.06831	0.4
100.07593	0.2
104.10719	0.2
105.07027	2.4
107.04929	0.6
107.08595	4.2
108.08062	0.2
109.06499	0.7
109.10155	5.5
110.09711	0.9
111.08056	0.4
112.07596	1.9
113.06012	0.5
117.07020	1.1
119.08576	2.3
120.08075	0.3
121.06485	0.8
121.10138	2.7
122.09660	0.3
123.08069	0.4
123.11687	1.0
124.07590	1.1
124.11227	1.4
125.00004	0.5
125.08353	0.7
125.09583	0.4
126.09147	0.6
131.08589	1.5
133.10133	1.4
134.09586	0.3
135.08017	0.8
135.11691	1.7
136.07603	0.2
137.09634	0.3
137.13205	0.4
138.09103	1.3
138.12787	0.2
140.10699	1.0
140.14328	0.2
143.08589	0.4
145.10114	1.4
147.04445	0.2
147.07999	0.3
147.11658	0.8
149.09653	0.2
149.13261	0.7
150.09111	0.2
152.10725	1.0
154.12271	1.1
155.10661	0.5
157.10123	0.2
159.11635	0.9
161.09607	0.2
161.13281	0.5
163.14848	0.4
163.28207	0.2
165.11572	0.2
166.12276	0.5
168.13831	0.8
169.10086	0.4
173.11749	3.3
173.13257	0.6
175.14745	0.4
177.12708	0.4
177.16350	0.2
178.12175	0.2
180.13835	0.4
182.15379	0.7
184.07312	2.0
187.11186	0.6
187.13304	0.9
187.14722	0.2
188.60033	0.2
192.13741	0.3
194.15396	0.5
196.16895	0.3
203.12621	0.2
205.12251	0.4
206.15340	0.4
206.18965	0.3
208.17058	0.4
210.18541	0.2
217.19475	0.3
218.15414	0.3
219.13815	0.2
219.21162	0.2
220.17000	0.4
222.18535	0.4
223.13257	0.9
224.08084	0.3
224.20134	0.2
234.18510	0.7
236.20015	0.4
237.14760	1.0
238.21797	0.3
243.21101	0.5
246.18445	0.2
248.20035	0.7
261.22034	0.2
262.21738	0.4
281.10599	0.5
287.23697	0.5
302.24918	0.2
304.26315	100.0
305.21103	0.3
305.26782	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76698	1.8
53.03946	3.1
55.01870	6.0
55.04005	2.2
55.05510	14.2
56.96566	4.8
57.03436	6.7
57.07057	3.0
59.04998	12.5
67.05506	71.7
69.03432	13.0
69.07066	10.4
71.04987	12.2
71.08632	2.3
71.13756	4.2
78.41669	2.2
79.05496	20.3
81.03415	12.7
81.07059	31.7
83.04967	3.4
83.08612	10.0
85.02918	10.6
85.06522	5.0
87.04444	6.1
91.05484	26.5
93.07037	19.5
95.04959	14.2
95.08603	20.7
97.02921	2.4
97.06529	10.3
97.10181	3.8
98.97580	5.0
105.07034	14.5
107.04932	11.3
107.08582	9.6
107.87119	2.1
109.06503	16.6
109.10162	68.7
111.08098	4.6
116.03139	2.1
116.63447	2.0
117.07009	14.0
119.08568	14.1
119.63778	2.0
121.06520	20.3
121.10122	7.4
123.08040	4.4
124.05226	3.0
125.09621	2.8
131.00217	3.1
131.08568	11.0
133.10112	6.1
135.08102	3.9
135.11690	7.5
137.05951	9.0
137.09605	7.6
141.06975	7.2
143.08527	7.2
145.10132	25.8
149.01259	2.5
149.09592	4.1
149.13216	3.9
155.10669	27.6
158.99661	2.7
159.08150	2.3
159.11682	19.0
161.09648	6.4
163.11165	2.2
169.10100	12.7
173.11740	100.0
177.12753	8.4
184.07384	3.3
187.11197	24.6
187.13293	32.7
203.12778	2.9
205.12193	14.0
205.77165	2.2
219.13757	5.5
223.13300	43.8
237.14857	31.6
261.74548	2.2
266.72852	2.4
281.10486	8.4
284.12799	7.5
299.11386	2.9
304.15533	3.3
304.19250	2.8
304.26361	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	304.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
55.05510	13.7
56.05024	9.8
56.96568	6.2
57.03436	4.6
60.04509	2.9
67.05493	9.9
68.33138	2.2
69.03441	5.3
69.07056	10.9
70.06572	8.1
71.04987	4.0
71.55991	3.0
76.04006	52.5
79.05485	16.0
81.03425	31.2
81.07063	17.1
81.16741	2.4
83.04980	9.2
83.08625	14.4
84.08176	2.9
85.02895	5.5
86.09692	3.7
91.05493	13.6
93.07037	8.5
95.04968	27.5
95.08607	7.7
96.08163	2.6
97.02879	3.4
97.06540	12.1
97.10168	3.1
98.97581	29.0
105.07051	13.1
107.07890	2.5
107.08607	8.2
109.06512	7.1
109.10159	4.5
110.07082	3.8
110.97572	6.4
111.08106	4.7
113.06040	2.7
114.05525	4.2
116.98618	8.7
117.07055	2.5
119.08566	9.3
120.08093	4.5
121.10127	10.1
123.08068	3.9
123.11723	3.5
125.06046	3.4
127.03859	2.9
128.98523	3.6
129.07022	3.1
131.08545	7.9
133.10106	16.5
137.05934	4.6
137.58722	2.3
147.11668	11.0
149.09570	3.2
150.12740	6.3
157.10112	4.5
158.99640	17.0
162.15416	2.2
165.12782	3.4
173.13257	4.5
175.11180	8.3
175.56787	2.9
177.00703	5.7
178.12245	3.2
178.15797	2.5
185.09189	8.5
191.14297	3.7
193.12247	29.3
194.15445	2.5
196.13399	22.1
201.09129	2.4
205.08032	6.9
211.13292	100.0
214.08620	17.4
214.14380	6.6
214.58723	3.3
219.01804	7.6
223.09155	12.2
224.12787	6.4
229.23483	2.6
237.02820	4.3
240.16026	4.3
241.12112	2.5
242.13933	7.5
244.09488	4.2
258.14877	5.7
260.15063	8.3
268.15485	3.6
286.13876	7.8
286.16476	9.5
286.19696	2.6
303.63049	4.6
304.12143	15.0
304.15176	14.8
304.18347	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	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01864	1.7
56.96550	1.2
57.03429	3.3
58.06588	2.1
60.04528	7.5
61.02921	3.5
67.05491	1.4
69.03143	0.9
69.03438	11.0
69.07072	35.2
69.75076	3.5
69.75488	1.7
70.06585	2.3
71.05001	1.6
71.08636	20.3
72.08145	1.2
73.02905	2.2
79.05481	0.9
81.03426	6.6
81.07084	0.9
83.01299	0.7
84.04494	2.7
85.02909	57.5
86.02431	5.6
86.09711	0.9
91.03955	1.2
96.08129	2.5
97.02897	37.7
97.06523	5.1
98.97588	3.8
99.04462	3.4
99.85417	0.9
103.03955	5.1
109.02889	9.2
114.09175	16.1
116.98670	1.2
119.08581	1.4
124.07581	1.5
127.03929	13.3
130.06505	1.7
138.09158	3.7
142.08643	100.0
145.04951	6.8
156.10146	1.7
168.06575	0.9
172.07619	0.8
173.01180	0.9
180.10202	2.4
184.09700	68.6
185.09221	3.3
196.07695	0.9
196.27974	0.7
204.55121	1.1
208.09700	16.3
209.02791	0.8
220.09673	2.1
223.07562	2.7
237.02899	0.9
238.10706	2.2
250.10681	8.8
268.12000	1.0
286.13571	1.7
304.11279	1.1
304.14236	3.0
305.15750	6.4
306.02350	0.7
313.59738	0.7
320.05594	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.2
55.05506	1.2
56.05824	0.3
56.96566	29.8
56.96836	0.9
56.96974	0.8
57.03416	0.6
60.87462	0.2
65.68687	0.2
67.05508	2.5
69.03400	0.3
69.07075	1.9
69.99374	0.9
70.07375	0.4
70.98110	0.4
71.95264	2.4
72.96014	1.0
73.02795	0.2
74.97609	0.5
77.71591	0.2
79.05482	2.1
80.05806	0.4
81.03394	0.3
81.06655	0.3
81.07060	3.3
82.07378	0.7
83.04949	0.5
83.08585	0.8
84.96011	1.1
91.05479	1.4
92.05814	0.4
92.98645	0.3
93.07063	1.5
94.07346	0.6
95.04944	0.5
95.08608	1.2
96.08916	0.3
97.06489	0.6
97.10144	0.4
97.96825	0.4
98.09618	0.3
98.21371	0.3
98.97538	0.3
101.92535	0.2
105.00149	1.9
105.07021	1.2
107.08630	1.2
109.06486	0.5
109.10184	1.2
110.97555	1.7
115.00689	0.4
119.01680	1.1
119.08540	0.4
121.10145	0.5
122.10432	0.4
123.01205	1.6
123.08054	0.3
124.99091	0.3
125.09570	0.2
127.00645	0.8
128.98584	1.2
131.08527	0.3
132.99631	0.6
133.10104	0.6
134.10477	0.3
135.08029	0.7
135.11655	0.4
136.08363	0.5
137.02719	1.4
139.00665	4.3
141.02260	1.4
141.75133	0.2
143.00087	0.3
145.10094	0.6
146.10510	0.3
146.99626	0.5
147.11716	0.5
149.02777	0.3
151.00673	3.2
153.02232	8.5
153.03494	0.4
155.00233	0.3
155.03766	2.0
155.10625	0.5
157.01729	1.7
159.03281	0.6
159.11661	0.4
160.04277	0.3
163.04317	0.5
163.11220	0.3
165.02190	1.0
165.99445	0.3
167.00165	0.5
167.03786	3.1
169.01736	2.8
169.05345	0.4
171.03296	9.1
172.03548	0.3
173.04916	1.2
173.11720	1.4
175.02762	0.5
177.02237	0.4
179.03735	0.7
180.03322	0.3
181.01736	0.4
181.05362	2.5
182.15926	0.3
183.03317	1.4
184.00447	0.3
185.01270	0.5
185.04858	6.6
187.02776	0.8
189.04314	1.5
189.05885	0.4
191.05875	0.3
191.07487	0.4
193.05333	0.5
194.04901	0.8
195.03224	0.6
197.04819	1.8
199.02750	0.3
199.06439	5.7
201.04358	0.5
201.07962	0.4
203.04010	0.3
203.05878	4.1
203.07515	0.3
205.05496	0.3
205.07350	0.4
207.05214	0.3
207.06909	2.0
207.10477	0.2
208.06461	0.6
209.04836	0.3
209.08444	1.1
211.02769	0.3
211.06422	0.6
213.04283	0.4
215.05885	0.7
217.05394	0.6
217.07423	4.0
219.07111	0.4
219.10558	0.9
221.04871	0.4
221.08548	1.2
222.07962	0.3
223.06407	0.6
223.13332	0.4
225.07988	2.6
226.07477	0.4
227.09605	0.8
227.12718	0.3
229.07408	0.3
231.06989	0.5
231.09004	0.4
233.08592	1.3
235.06364	0.4
235.10078	2.4
237.08041	1.3
237.11584	0.9
239.05858	0.6
239.09572	0.7
243.09103	1.1
245.08498	1.6
251.09546	3.3
253.11113	1.9
255.09100	0.4
263.09509	13.8
264.09863	0.5
267.09039	0.6
269.10699	1.5
271.12042	0.3
274.11035	0.5
281.10602	100.0
282.10956	3.1
283.11142	0.5
286.18872	0.5
292.12027	0.3
294.66901	0.3
299.11658	47.4
300.12057	1.2
304.12213	11.9
304.19699	0.8
304.23145	0.6
304.26288	0.7
305.12576	0.9
322.13229	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	303.2319
Annotation	Agallochin G
Peak:m/z	Relative Intensity
53.03944	1.5
55.01863	1.7
55.05269	1.4
55.05511	17.4
55.21889	0.9
57.03439	2.0
57.07061	3.0
65.03932	1.2
67.05186	1.7
67.05507	25.4
69.07072	11.4
70.06606	1.8
70.87502	1.2
70.87836	2.3
71.05000	1.1
71.06908	1.5
79.05067	1.5
79.05496	21.9
81.06589	2.1
81.07053	28.7
83.04985	1.8
83.08630	7.7
85.06529	1.6
88.07603	4.1
89.07942	1.8
91.05480	49.8
93.06481	1.3
93.07041	18.0
93.37801	0.9
95.04982	2.1
95.08060	1.6
95.08605	22.5
97.06516	2.2
97.10145	2.9
97.66673	1.0
103.05457	1.2
105.07030	57.7
106.08658	3.1
107.08572	12.4
109.06509	4.2
109.10163	8.4
117.07021	14.4
117.20621	0.9
119.04974	1.0
119.08581	65.8
121.06486	1.5
121.10126	7.4
123.07994	1.5
123.11667	1.7
125.09576	1.7
129.07004	3.1
131.08560	19.9
133.06480	1.6
133.10132	33.8
135.08028	2.7
135.11678	2.8
141.06947	2.1
143.08549	2.4
145.10109	11.1
147.08023	3.0
147.11699	22.8
149.13272	1.5
151.43816	0.9
155.08533	1.8
157.10165	6.4
159.08040	9.7
159.11719	12.7
160.12477	1.9
161.09616	2.5
161.13248	19.2
167.00912	1.0
169.10107	3.4
171.11671	2.1
173.09576	2.2
173.13289	10.1
175.11131	1.9
175.14783	7.4
183.11679	2.2
183.69839	0.9
185.13278	3.4
187.11188	1.0
187.14816	2.6
197.13220	2.9
199.14749	2.1
225.16377	2.2
235.15041	1.2
243.17514	1.8
247.17003	2.1
253.15770	1.4
261.18405	1.8
267.21143	2.5
271.16968	5.5
285.22107	12.4
285.29666	2.7
288.05258	1.1
303.07571	2.4
303.19595	13.8
303.23148	100.0
303.30814	50.7
303.34406	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	303.1955
Annotation	CHEBI:70566
Peak:m/z	Relative Intensity
55.01871	2.1
55.05509	12.8
56.96564	5.4
57.03435	2.5
57.07070	4.5
59.04992	1.7
62.03458	1.5
63.86639	1.3
65.03952	1.8
67.05508	25.9
68.49031	1.7
69.03438	2.0
69.07069	9.3
71.04998	2.4
79.05497	10.6
81.03444	1.4
81.07058	12.3
83.04981	4.4
83.08608	11.7
85.02919	3.1
86.09708	4.5
91.05486	11.4
93.07056	16.2
95.04978	28.4
95.08608	100.0
97.02920	1.9
97.06530	20.3
97.10188	2.9
98.97588	2.6
104.10766	2.9
105.07030	11.9
105.38412	1.4
107.04986	1.4
107.08598	20.9
109.06563	4.1
109.10158	8.2
111.04448	1.6
111.08086	2.0
113.06065	1.6
116.98647	1.6
117.07060	4.4
119.08575	13.0
121.06544	5.8
121.10159	12.6
123.08071	28.1
125.00046	2.3
125.09665	5.4
129.07065	3.1
131.08536	7.7
133.06499	1.7
133.10126	10.9
135.08044	17.8
135.11748	4.6
137.06039	1.5
139.11226	2.1
140.88171	1.2
143.08636	4.1
145.10210	6.2
147.08105	5.0
147.11716	5.2
149.09676	5.7
151.07536	20.2
155.10681	3.4
156.09387	2.1
157.10225	4.5
159.08118	4.8
159.11768	5.2
161.09595	7.2
161.13295	1.5
163.07603	1.8
165.09094	1.8
169.10194	2.1
171.11754	1.8
173.09683	2.0
173.11810	2.9
173.13264	3.3
175.14726	1.9
179.14363	3.1
184.07372	8.5
185.09581	1.5
185.13261	1.6
187.11261	2.9
189.09157	5.3
189.12785	2.5
197.11847	2.2
201.12766	3.0
201.16382	1.7
203.10873	2.5
203.14360	1.8
207.10106	1.6
207.13927	2.5
217.12340	1.8
217.15930	2.1
225.16397	2.1
227.14410	2.9
241.12251	2.5
243.17741	1.9
245.15390	1.7
247.13435	2.3
247.17023	2.8
261.18686	1.8
267.17413	2.3
269.10587	1.5
271.14319	1.9
281.10846	4.3
283.11713	2.1
285.15607	2.8
285.18661	11.5
285.21603	1.8
288.05350	2.4
299.11844	3.0
303.04791	2.0
303.07971	4.0
303.16205	6.3
303.19699	47.9
303.23288	5.2
304.26373	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
56.05024	0.3
56.96568	0.8
66.43119	0.4
67.05491	1.6
69.03437	1.0
69.07061	0.8
70.04664	1.7
70.06574	0.9
72.08144	0.7
79.05493	0.6
81.03397	0.4
81.07024	0.6
83.08607	0.6
84.08125	1.2
85.02918	1.9
86.03226	0.3
86.09689	1.2
87.04478	0.4
87.10012	0.5
91.05479	0.7
93.07067	0.6
95.04970	1.4
95.08609	0.7
96.05320	0.4
97.02877	1.5
97.06532	4.4
98.97581	1.8
100.07605	0.9
107.08607	0.4
110.07217	0.3
110.97560	0.5
112.07574	0.6
116.98597	0.5
120.08074	0.5
122.06005	0.4
123.04422	0.9
123.08115	0.5
131.01929	0.6
134.99631	0.4
136.07610	1.0
137.05939	0.6
138.05510	0.5
140.07057	1.5
141.07404	1.2
141.09065	0.9
152.07025	0.7
157.03508	0.4
161.02870	0.4
164.07030	0.8
173.02979	0.4
182.08150	0.5
183.08463	1.5
207.08412	0.4
213.07787	0.4
213.09793	0.6
219.01735	0.5
221.05089	0.8
222.06259	0.3
222.08258	0.8
226.24719	0.3
231.08846	0.7
234.99046	0.4
257.12845	0.5
267.11340	0.5
285.12354	1.2
286.10809	1.4
303.14127	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21136	0.3
53.35456	0.3
55.05502	0.4
56.96549	0.5
58.32936	0.3
62.82200	0.3
67.05501	0.7
69.03414	0.5
69.07062	0.4
70.06585	0.7
79.05479	0.6
81.03423	0.5
81.07039	0.6
85.02892	0.5
86.09708	0.4
91.05486	0.3
93.07034	0.7
95.08598	0.6
97.02864	0.6
98.20720	0.7
98.97562	0.7
121.10130	0.4
125.26414	0.3
131.08577	0.4
133.10059	0.4
137.05968	2.1
145.57233	0.3
152.07062	0.7
166.65559	0.3
213.07942	0.4
213.09819	0.4
230.11253	0.3
240.07503	0.3
259.15271	0.7
267.11261	0.7
274.13776	0.4
285.12308	0.9
303.14154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	9.1
56.96564	19.6
57.03427	14.1
60.18489	4.1
61.02922	28.3
64.20901	4.5
69.03432	36.7
70.39085	9.7
70.39465	10.8
70.98108	5.2
71.04980	13.9
73.02926	24.7
81.03397	11.7
81.04551	4.8
85.02904	76.2
87.30151	4.4
97.02893	27.7
98.21402	6.4
98.97584	64.3
99.04449	13.6
101.00861	19.7
102.16676	4.3
109.02858	6.1
110.01280	7.7
110.97557	12.0
114.49081	4.7
116.98602	15.0
119.01891	28.7
122.07138	7.0
127.03925	29.9
127.83945	4.6
128.02306	13.5
128.98599	13.0
131.01891	13.7
140.08188	15.3
140.98442	4.9
141.08569	11.1
141.47571	4.6
143.01877	7.8
145.04938	19.0
146.02243	5.4
146.99599	8.5
158.99673	13.5
159.05019	7.8
161.02844	11.2
170.99586	12.9
171.05072	10.4
173.02954	10.6
174.97618	7.0
174.99121	7.8
177.00749	6.3
183.02342	11.0
183.05038	6.2
184.97586	7.0
186.99118	6.2
189.00656	15.4
191.03899	6.6
200.04272	10.5
201.00803	8.6
201.06084	22.2
202.98596	6.3
204.02849	20.3
213.03387	52.6
213.05255	7.0
213.06268	9.0
219.01880	11.5
222.03807	8.4
222.05695	9.5
228.05705	6.1
237.02644	6.8
243.01820	8.2
243.07172	6.6
261.02927	14.6
263.01117	4.7
273.08148	5.2
281.05603	8.4
303.04584	8.8
303.08572	100.0
303.13763	20.7
303.15891	7.0
303.20447	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	303.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67130	0.2
56.96552	0.7
69.42770	1.8
71.95264	0.3
79.33051	0.2
96.63935	0.2
98.97587	9.6
99.97930	0.7
100.97199	0.3
100.97932	0.3
101.00890	2.8
101.97215	0.3
102.96869	0.8
116.98618	4.1
117.98969	0.4
119.01919	4.0
120.97888	0.4
124.81967	0.2
134.99684	1.2
137.02951	0.6
140.98814	0.4
158.99915	1.8
160.77271	0.2
165.99622	0.2
175.03038	0.4
177.00967	8.8
178.01025	0.4
179.00700	0.2
182.99908	0.9
201.00943	2.6
216.98808	0.2
217.04149	1.7
219.02010	17.6
220.02075	0.7
221.01895	0.8
225.00882	2.1
243.01994	12.0
243.99001	0.2
244.02161	0.6
256.96640	0.5
259.00049	0.3
260.99890	3.7
261.03064	100.0
261.97366	0.4
261.99905	1.3
262.03223	5.7
263.03256	0.4
267.20383	0.2
278.97269	0.5
279.00555	3.4
279.98068	0.9
280.00974	1.4
283.00043	0.6
284.04681	2.0
284.99924	2.4
285.02951	0.5
297.98215	0.5
301.01099	0.5
303.00827	2.4
303.04230	2.6
304.01279	0.2
320.97583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.4
55.05513	5.1
56.05021	1.1
56.96549	2.3
57.03423	2.3
60.04494	0.9
60.13179	0.7
65.03926	1.4
67.05476	2.5
69.03395	1.1
69.07047	2.7
70.06597	10.8
71.39989	1.0
71.40307	0.9
71.82029	0.7
72.08156	100.0
79.05479	3.0
81.03396	1.0
81.07042	2.4
83.04958	0.9
84.04480	1.0
84.08121	3.2
84.96021	0.8
85.02913	3.8
85.06525	1.0
86.09706	43.7
91.05481	40.2
92.05796	1.6
93.07017	2.3
94.06532	2.3
95.04953	2.3
95.08559	2.1
96.08109	1.4
97.02892	4.0
97.06523	1.7
98.97569	6.8
100.07590	1.6
104.10709	2.8
105.07000	1.4
106.07322	1.1
107.04941	0.8
107.08542	1.5
108.08099	0.9
108.08917	1.1
109.06509	1.5
109.10103	0.9
110.97528	1.4
112.07561	2.2
116.98582	2.4
117.06983	0.9
118.08624	2.1
119.08495	0.8
121.06466	1.6
123.00787	1.2
123.04407	1.0
127.03878	2.4
128.07059	1.3
128.98553	1.6
130.06502	1.7
131.08562	1.3
132.10190	8.3
137.05978	2.6
140.07045	1.8
143.11797	60.0
146.99643	0.8
152.07062	1.0
154.06572	0.8
157.13345	13.9
164.07060	0.9
168.08034	1.3
171.11285	34.6
176.07066	0.8
177.00716	1.4
182.05997	1.4
182.08118	1.2
184.07416	2.6
185.12863	10.3
189.12247	0.9
194.11725	0.9
201.00681	1.4
203.13919	2.4
204.12259	2.7
213.00815	0.8
214.08510	1.3
219.01730	5.5
222.05411	1.1
229.10835	5.1
230.11777	1.4
231.16933	2.0
237.02815	4.2
242.08041	1.0
258.14719	4.2
258.17209	1.2
261.02670	1.5
266.17352	1.1
270.01160	0.9
271.21484	0.8
273.13550	5.9
279.03665	4.1
284.15463	1.1
284.18521	1.4
284.60739	1.8
286.04465	2.5
287.05087	8.3
292.95712	0.9
302.07437	9.7
302.14447	1.6
302.17374	29.1
303.04953	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26609	0.6
55.01865	1.6
55.48192	0.6
56.05040	0.9
56.96555	2.9
57.03432	2.8
58.06598	0.8
60.80677	0.6
61.02920	2.8
62.13703	0.9
65.03918	1.5
67.05505	27.0
69.03083	1.2
69.03431	15.8
69.07071	12.2
69.46912	1.7
69.47327	3.1
70.06588	3.1
71.04988	0.9
72.08152	1.7
73.02914	2.5
76.07652	2.4
76.75341	0.7
79.05493	0.9
81.03416	5.6
81.07059	1.7
82.06574	1.3
83.05006	1.0
84.04519	1.3
84.08132	3.0
85.02909	35.1
86.02426	1.1
86.09709	6.4
91.05467	2.9
93.07024	0.8
94.06564	1.9
95.04971	45.1
97.02897	33.1
97.03529	1.7
97.06547	1.4
98.97582	2.8
99.04459	1.6
100.07616	8.1
103.03943	3.5
105.06978	0.8
107.04947	1.3
108.08149	1.1
109.02883	8.3
110.05997	0.9
112.07607	32.1
113.06009	4.0
116.98613	0.9
117.15322	0.7
120.08136	3.6
121.06507	2.3
122.06022	2.0
123.04427	1.7
124.07621	2.5
127.03939	7.9
136.07594	2.0
137.05994	3.2
138.09149	4.8
140.07068	100.0
145.04961	4.2
147.05534	1.4
150.09193	1.1
152.07077	1.2
154.08640	8.2
158.99713	1.1
166.05795	0.8
178.08646	3.0
182.08130	65.2
189.12354	0.8
197.01395	0.8
199.18027	2.1
202.08601	0.8
203.08189	0.8
206.08125	14.2
218.08145	2.2
219.01657	0.9
221.07436	0.9
227.17526	0.8
229.10948	0.9
236.09268	2.6
237.02776	0.9
248.09198	10.5
284.11386	1.3
284.14548	2.3
284.18219	1.0
286.04462	1.9
287.05002	5.0
291.14105	0.7
302.07343	7.1
302.12576	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	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01871	1.2
57.03430	2.5
59.65344	0.7
61.02931	3.3
63.49183	0.6
65.03937	1.3
67.05506	27.5
67.80421	0.6
69.03432	12.8
69.06721	1.1
69.07071	15.3
69.42235	0.6
70.06599	0.9
70.99726	1.3
72.08164	0.8
73.02896	0.9
81.03412	4.7
83.01366	0.8
84.08128	2.5
84.86833	0.7
85.02907	37.3
86.02462	0.7
86.09695	1.0
91.03954	0.8
94.06584	1.4
95.04976	44.1
97.02893	31.4
98.97606	1.2
99.04462	2.2
103.03947	3.6
109.02895	8.3
112.07616	32.2
113.05994	3.7
115.04005	0.8
122.06038	1.8
123.04412	1.2
124.07622	2.3
127.03932	7.9
129.10197	0.7
136.07578	1.5
140.07071	100.0
145.04999	4.3
154.08635	5.9
163.06004	1.2
164.07097	1.0
169.31520	0.9
178.05840	0.6
178.08701	3.5
182.08136	61.6
206.08159	12.8
218.08170	1.5
236.09288	2.2
243.05473	0.7
248.09189	7.8
266.10361	1.4
284.11588	0.9
287.05194	1.0
302.07300	1.2
302.12619	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	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01866	2.2
55.05508	2.1
55.25698	1.3
56.40925	1.1
57.03427	5.2
61.02919	5.2
66.53595	1.3
67.05502	7.3
69.03436	12.0
69.07072	2.1
71.00224	3.6
72.08152	4.8
73.02920	2.9
79.05495	6.6
81.03428	7.0
81.07052	8.8
83.04991	1.2
84.08151	1.8
85.02908	84.1
86.09706	2.6
91.05482	9.0
94.06554	2.1
95.04952	4.2
96.04429	1.1
97.02897	41.9
97.03519	2.3
97.06535	1.7
98.97559	2.7
99.04430	3.7
103.03963	6.0
108.08121	10.6
109.02901	10.8
109.06556	1.6
110.06060	2.0
112.07604	2.3
122.06019	7.5
125.06008	7.9
126.05489	5.7
126.09145	3.9
127.03917	17.6
128.07063	1.6
136.07582	20.2
140.07074	43.3
140.10776	1.2
143.11839	2.5
145.04961	12.8
150.09149	5.0
152.07071	22.3
154.08653	6.7
163.06049	3.9
164.07071	24.2
171.11284	1.3
178.08646	17.3
182.08131	100.0
206.08133	40.2
210.12126	1.9
214.08551	1.8
218.08057	4.3
229.10907	2.1
236.09135	4.2
237.02757	1.4
248.09219	12.7
258.14883	2.8
260.91562	1.5
273.13556	4.6
287.05063	2.5
302.17538	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	301.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.01868	1.8
55.05507	6.8
56.79799	0.9
57.03435	1.3
57.07060	1.0
67.05503	21.0
68.99793	1.2
69.03431	1.8
69.07065	9.2
69.69334	0.8
69.84904	1.6
69.85329	2.8
71.04993	1.9
79.05502	4.8
81.07056	10.5
83.08598	2.0
85.06530	2.4
91.05466	6.2
93.07032	8.3
95.04951	7.9
95.08602	9.6
96.35994	0.8
97.06523	2.5
105.07042	6.5
107.04951	1.4
107.08585	15.9
109.06512	6.7
109.10152	31.5
113.09633	2.6
117.07018	2.8
118.04156	2.7
119.04824	0.7
119.08587	23.8
121.02898	1.1
121.06539	2.1
121.10147	4.7
122.07265	1.1
123.08065	9.8
123.11688	1.2
128.06255	1.4
129.07016	1.4
131.08560	3.1
133.10127	4.9
135.08051	12.4
135.11665	2.4
135.47198	0.8
137.09616	24.0
140.01086	1.5
143.08545	2.5
145.10141	5.7
147.07979	1.3
147.11671	2.3
149.09608	3.0
149.13222	0.8
151.07527	1.3
157.10115	2.3
159.11691	2.2
160.22868	0.9
161.09650	5.5
161.13234	1.9
163.11172	1.7
165.09123	1.5
165.12752	3.4
168.00543	8.1
170.10861	0.8
171.11713	2.3
173.13277	1.6
175.11179	1.8
175.14754	1.5
177.12738	1.0
178.26065	1.0
181.12175	1.0
183.11633	1.4
184.05228	1.1
185.13350	1.0
186.01561	5.1
187.11194	1.7
191.14305	35.6
197.13249	1.9
199.14685	1.1
203.14337	1.0
205.15863	3.5
212.04736	1.4
213.12672	1.4
213.16376	1.6
217.15843	1.9
221.15428	3.4
225.16313	1.4
229.04970	1.4
231.13864	0.9
240.04269	2.1
241.19398	1.3
243.17366	1.0
255.21294	1.1
258.05234	4.2
261.11301	1.3
265.19406	1.1
273.21872	1.0
283.20578	4.5
285.03894	12.3
286.04712	84.9
287.04990	2.5
301.07056	100.0
301.21625	50.2
302.07361	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	13-cis-Retinoic acid
Peak:m/z	Relative Intensity
53.03945	5.0
55.05505	12.0
57.07077	7.1
59.04988	2.3
65.03944	3.4
67.05505	19.6
68.81814	2.4
69.03432	6.9
69.07057	12.1
69.56656	14.0
69.77200	2.4
71.04999	14.7
71.20565	2.0
74.17703	2.4
79.05486	18.3
81.07055	31.3
83.04962	3.7
83.08617	8.0
85.06522	2.5
91.05492	27.2
93.07043	33.3
95.04974	15.7
95.08611	24.5
97.06525	8.4
98.21553	5.2
105.07034	44.2
107.08600	42.8
109.06516	37.3
109.10170	30.2
109.59516	2.4
111.08057	5.9
117.07018	16.1
119.04966	3.2
119.08580	52.9
121.06503	9.1
121.10126	29.1
123.08074	4.2
123.11719	5.8
128.06256	4.6
129.06996	6.7
130.07828	6.0
131.08575	54.0
133.10139	36.8
135.08060	26.4
135.11700	12.5
137.09665	3.2
139.11223	4.9
142.07715	5.6
143.08551	19.5
144.09328	7.5
145.10124	62.5
146.07280	6.4
147.08047	3.2
147.11687	12.3
149.09616	5.6
149.13268	10.0
153.09167	2.6
155.08574	3.3
156.09329	2.8
157.10143	19.0
158.10904	15.4
159.08078	4.9
159.11716	14.0
161.09628	70.3
161.13245	4.9
163.11169	9.9
169.10104	4.7
170.10895	3.7
171.11687	13.9
173.09755	2.6
173.13266	100.0
175.11241	2.8
175.14867	11.8
177.73477	2.5
179.08557	7.0
181.10115	2.6
183.11705	2.6
185.09616	2.3
185.13246	7.1
187.14911	3.4
191.14305	25.8
193.10262	3.3
194.11031	3.9
195.11655	4.4
197.13229	2.8
197.78334	2.6
199.14835	9.5
201.16385	3.5
203.14268	3.1
208.12486	3.2
209.13306	11.9
209.15057	2.6
211.31845	2.4
213.16302	3.8
223.14812	3.9
225.16368	4.2
227.14296	6.6
237.16365	2.7
245.15428	2.6
250.10583	2.3
265.19498	10.7
269.12738	4.6
282.78070	2.9
283.20560	9.7
285.03879	5.6
286.04700	30.1
301.07050	36.7
301.21622	20.3
302.30569	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	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01869	11.0
55.05512	76.6
56.96562	3.3
57.03437	32.0
57.07057	2.8
59.04989	3.1
61.02919	1.2
67.05504	46.1
68.99802	1.2
69.03425	5.2
69.07069	18.7
70.06621	1.0
71.01350	4.7
71.04974	4.3
71.06923	1.2
71.08627	1.1
71.56966	1.4
73.02894	3.2
75.04462	5.0
79.05495	31.9
81.03420	7.3
81.07058	33.4
83.01336	1.4
83.04979	11.1
83.08623	17.6
85.02905	23.4
85.06514	2.1
87.04470	11.5
88.07607	1.1
91.05479	10.3
93.07045	14.0
95.04989	6.4
95.08617	15.3
97.02875	8.6
97.06532	7.0
97.10173	48.6
98.97590	3.1
101.02362	1.8
103.03944	16.7
105.07027	6.9
107.04958	3.2
107.08589	26.4
107.27811	1.1
109.06533	1.1
109.10162	15.8
111.04455	4.1
111.08080	2.9
117.07027	3.6
118.04113	1.1
119.08566	6.2
121.06538	1.6
121.10165	7.7
123.08060	4.2
123.11697	1.6
125.09631	55.1
129.05472	3.6
129.06982	1.6
131.00130	1.1
131.08568	4.0
132.10201	2.2
133.03458	6.5
133.10155	3.4
135.08066	2.9
135.11694	7.7
137.06046	1.5
137.09653	2.2
139.11179	1.3
140.01009	2.0
141.09116	1.3
142.24083	1.0
143.08524	1.9
143.10681	8.0
145.03401	1.6
145.06519	1.1
145.10158	7.8
147.08089	1.0
149.01181	1.4
149.09555	1.3
151.04568	2.0
151.11171	1.1
153.12756	4.3
156.39552	1.1
157.10204	1.2
158.99614	1.6
159.06560	1.2
159.11671	1.7
163.11160	12.0
168.00554	7.9
169.12218	1.9
171.11671	1.1
173.09627	3.7
173.11755	2.4
175.04494	2.3
181.12245	7.0
186.01651	2.4
187.04460	1.4
189.11305	3.5
191.10643	2.7
191.14291	1.3
199.13289	7.5
201.06013	2.1
209.11736	13.9
213.09677	1.9
216.09177	12.8
216.59332	2.0
217.05484	2.1
217.14331	2.1
225.09770	1.7
227.12759	11.8
229.05084	1.2
229.14355	3.2
231.10806	3.0
236.60556	1.5
241.04979	1.5
243.10861	7.1
245.13847	3.6
257.13812	8.7
258.05231	6.8
266.18411	1.3
269.12430	1.3
283.15436	10.8
285.03876	12.7
286.04721	81.9
301.07074	100.0
301.16425	57.7
301.21210	5.7
301.29303	15.9
302.07379	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23323	0.1
53.03930	0.1
53.19923	0.1
55.01864	0.4
55.05510	0.8
56.96552	0.2
57.03434	0.5
57.07066	0.1
65.03934	0.1
67.05502	1.2
69.03410	0.4
69.07059	0.6
70.06573	0.2
70.14532	0.1
71.04980	0.3
71.56816	0.2
73.02914	0.1
79.05486	1.4
81.03407	0.3
81.06647	0.1
81.07065	1.3
83.04962	0.3
83.08627	0.5
83.20921	0.1
85.02898	0.2
85.06520	0.2
91.05456	0.5
93.07043	2.4
95.04967	0.3
95.08606	2.4
97.02887	0.4
97.06519	1.1
97.10168	0.2
98.97594	0.5
99.04457	0.3
103.05456	0.1
105.07016	0.7
107.04942	0.5
107.08584	1.6
109.02831	0.1
109.06481	0.1
109.10146	0.6
111.04436	0.2
115.03965	0.1
117.07016	0.6
119.08564	0.6
121.06490	0.4
121.10135	0.8
125.05918	0.3
125.09624	0.1
127.03883	0.1
129.05472	0.2
131.04898	0.1
131.08534	0.4
133.10146	0.5
135.08051	0.2
135.11682	2.6
137.05978	0.3
139.07529	0.2
143.07088	0.1
143.08490	0.2
145.06500	0.1
145.10112	1.9
147.06786	0.9
147.11710	0.2
149.05978	0.2
153.01833	1.0
157.10083	0.2
158.99666	0.2
159.11659	0.1
160.11197	0.1
163.11172	3.3
164.07115	0.2
168.00566	0.2
171.11555	0.1
173.09593	0.3
176.07054	0.2
176.10692	0.5
177.07848	0.8
177.09128	0.2
181.12253	0.9
186.01619	0.1
187.07571	0.1
191.10654	0.1
195.77342	0.1
201.16492	0.1
202.12210	0.2
204.10197	0.3
206.11734	0.2
209.11771	0.2
212.04622	0.1
220.10260	0.1
227.12782	8.0
229.04955	1.4
231.13913	0.1
238.80908	0.1
255.11089	0.3
257.04486	0.6
258.05237	35.5
259.05600	0.5
269.04590	0.2
273.13593	1.5
283.15399	3.3
283.20300	0.1
285.03900	0.5
286.04712	53.0
287.05045	0.7
301.07056	100.0
302.07446	1.6
302.17477	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	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10870	0.9
53.03936	2.5
55.01870	8.3
55.05513	48.7
56.96558	3.5
57.03439	21.8
57.07068	1.2
59.04438	0.9
59.05000	2.5
61.02916	1.5
65.03954	1.2
67.05505	27.5
68.99807	1.3
69.03436	5.3
69.07068	14.3
69.31647	5.5
69.32074	3.7
71.01347	3.7
71.04993	4.0
73.02917	1.9
75.04472	4.0
79.05069	1.6
79.05499	25.4
81.03401	5.6
81.07063	23.3
83.04972	10.6
83.08630	13.8
85.02910	17.7
85.06540	2.3
87.04475	5.9
91.05475	9.3
93.07042	12.4
95.04985	9.0
95.08602	11.2
97.02893	6.9
97.06567	6.5
97.10178	33.2
98.97575	3.1
103.03945	13.5
105.07021	6.1
107.04949	2.5
107.08601	18.7
109.06538	2.1
109.10154	8.6
111.04451	3.5
111.08096	1.4
116.98615	1.5
117.07027	3.5
118.04144	2.4
119.08588	6.4
121.06506	2.0
121.10131	8.8
123.08063	3.6
123.11719	1.1
125.09632	36.4
129.05521	2.1
129.07010	1.3
131.00151	1.9
131.08591	4.6
133.10129	3.3
135.08070	2.6
135.11687	7.3
137.09583	1.5
137.36993	1.0
139.11197	1.3
140.01057	2.1
143.10675	4.1
145.10147	8.0
147.08026	1.9
149.01222	1.2
149.09625	1.7
151.11110	1.3
153.12758	2.8
155.08568	1.4
158.99605	1.1
159.11703	1.8
163.11221	10.7
166.98486	1.3
168.00560	12.3
169.12340	1.8
173.09654	2.6
173.11786	1.5
173.13235	1.1
181.12228	4.3
186.01595	5.7
189.11201	2.2
191.10625	3.0
199.13393	5.0
209.11719	12.2
217.14400	1.9
227.12778	7.9
229.05074	1.3
229.14456	2.0
240.04175	1.8
245.13892	3.5
255.21010	1.1
257.13846	3.7
258.05176	7.7
263.60208	1.2
275.92215	1.2
283.15402	11.4
283.20493	1.4
285.03989	12.3
286.04721	85.7
287.04349	1.3
301.07077	100.0
301.16437	36.9
301.21649	3.4
302.07431	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.6
56.96564	22.6
57.03444	3.6
58.99866	0.6
61.02926	5.7
63.52731	0.6
69.03079	1.0
69.03432	11.8
70.06585	2.3
70.98119	1.4
71.04978	1.9
71.55534	1.2
71.95261	2.5
72.08134	1.7
73.02912	5.2
74.02450	0.6
81.03415	2.3
82.06577	0.7
84.04572	0.8
84.08134	2.6
84.96036	1.6
85.02905	23.9
86.09683	1.2
87.04446	1.6
90.05542	0.9
91.03963	1.8
91.05452	1.0
91.16964	0.6
97.02890	9.1
98.97587	100.0
99.04469	2.0
99.97926	2.9
101.00874	4.6
101.97192	2.2
102.96870	3.6
109.01388	0.8
109.02903	1.5
110.01292	0.8
110.97578	3.0
111.02864	0.7
111.04414	0.8
112.11250	1.6
113.00869	1.3
115.02462	2.0
115.03908	0.9
116.02151	1.2
116.98625	55.7
117.01971	1.1
117.98961	2.0
119.01906	5.9
120.02017	1.3
120.97939	2.3
121.01644	0.8
121.06509	1.7
122.02116	0.7
122.06875	2.4
124.01870	0.8
125.02665	1.7
127.02383	1.0
127.03922	8.9
128.98634	3.4
129.10199	1.0
130.01878	1.4
130.08569	0.8
130.93303	2.9
131.00203	1.1
131.01909	5.3
133.03459	6.6
134.98642	1.3
134.99661	22.7
137.02762	1.5
137.05933	1.1
138.09171	1.0
138.98959	0.9
139.04037	0.8
139.05029	1.9
139.09512	1.0
140.00154	1.5
140.08223	1.6
143.00220	0.9
143.01939	2.1
145.01726	0.8
145.03526	3.2
145.04912	4.2
146.99677	1.9
147.03264	1.2
147.04420	1.2
148.94380	0.8
149.02951	1.5
150.05452	0.8
151.02441	4.0
151.04562	1.5
152.07043	0.8
153.00751	2.1
155.00122	0.9
155.01912	1.8
156.96609	0.7
157.03445	1.6
158.01311	1.2
158.99675	3.9
160.02957	5.6
161.01239	1.3
161.02960	3.5
162.03444	0.7
163.04504	0.9
163.05930	1.0
166.02942	2.2
169.03476	2.3
170.99940	1.2
171.01422	5.0
172.94365	9.5
173.02908	4.3
174.97672	2.7
174.99210	3.0
175.00781	0.9
175.03366	1.4
175.04691	0.9
176.97414	2.5
177.00861	6.5
177.07861	1.1
180.97902	0.8
181.03502	2.8
181.06868	0.8
182.99861	0.8
185.03009	1.5
188.04327	1.1
189.00784	1.4
189.02466	7.8
190.03993	2.2
190.95425	7.7
191.04022	2.2
192.98711	1.4
193.00264	2.6
193.01880	0.8
194.03592	0.7
194.91249	0.7
194.98523	1.0
195.05168	0.8
198.73555	0.7
198.97661	1.3
199.00879	3.1
199.04568	1.7
200.04456	1.4
201.00826	3.3
201.02470	1.3
202.03992	7.7
203.02415	1.1
203.04117	1.7
208.96504	2.3
210.56371	1.5
211.04469	9.9
211.06180	0.8
211.54712	1.4
212.05147	0.9
213.04271	0.8
214.06282	0.7
214.95398	4.7
215.04126	1.7
216.96938	1.2
216.98700	7.8
217.01907	5.4
217.03610	0.7
218.02139	2.4
218.98763	0.7
219.01932	10.0
219.03595	0.9
219.56839	1.3
220.05142	1.8
220.07001	0.9
221.01898	1.0
221.05022	4.9
229.02026	1.7
231.03580	2.6
232.96471	14.4
233.00035	1.6
233.03493	7.8
234.99699	1.5
236.03273	0.9
236.95293	1.4
237.02843	2.1
240.98717	2.0
241.02188	0.9
241.99014	1.3
245.01617	0.9
246.98035	1.8
249.04564	2.1
250.97580	6.4
251.01193	2.3
254.96077	7.3
255.06267	0.7
258.99823	17.2
259.03024	6.8
259.93851	1.2
259.96707	1.0
259.99918	14.5
260.95944	1.3
260.99658	0.7
264.99118	1.0
272.94427	1.5
273.03152	2.8
274.97501	2.5
275.09598	1.0
276.07520	0.8
277.00854	11.5
277.04028	2.0
277.10611	1.5
277.94641	4.6
277.97507	5.8
278.01062	13.4
278.04095	1.5
278.96860	6.5
279.00095	0.8
284.09753	1.0
285.04022	1.8
286.04749	10.3
289.04239	2.3
292.98639	1.0
295.95956	19.7
296.97968	3.0
300.93924	1.4
300.97650	1.3
301.02563	4.7
301.07236	9.3
301.10379	3.6
301.14578	2.2
302.13440	0.7
313.97253	3.0
319.02112	1.4
319.05298	1.0
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
51.72918	0.2
58.50604	0.2
64.99890	0.2
70.75219	0.6
132.44955	0.2
153.01863	1.0
229.04897	1.6
242.92195	0.2
257.04443	0.6
257.84995	0.2
258.05243	34.8
286.04721	50.5
287.04999	0.3
301.07065	100.0
302.07346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.1
57.03429	0.1
61.56772	0.1
61.80770	0.0
62.25078	0.1
67.01830	0.1
67.05475	0.1
67.24146	0.0
68.99802	0.1
69.51454	0.4
69.89869	0.1
70.06586	0.1
79.05482	0.1
81.07039	0.1
91.05444	0.1
93.07031	0.2
95.08588	0.1
97.06487	0.1
98.97560	0.1
105.07018	0.1
107.08595	0.1
109.10136	0.1
119.04981	0.1
119.08600	0.1
121.06486	0.1
133.10126	0.1
145.10071	0.1
149.05939	0.2
151.03839	0.1
153.01817	1.2
159.08034	0.1
161.05891	0.1
164.26120	0.1
168.00630	0.1
184.05122	0.1
186.01463	0.1
201.05559	0.1
202.06354	0.1
212.04414	0.1
213.05423	0.1
229.04944	1.6
229.14352	0.1
230.05620	0.1
255.11270	0.1
257.04495	0.7
258.05234	35.7
259.05591	0.3
269.04510	0.1
273.07425	0.1
273.13565	0.1
283.10831	0.1
285.03922	0.2
286.04709	50.7
287.05136	0.4
301.07053	100.0
302.07379	0.9
302.17453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0698
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
56.11794	0.1
67.05513	0.0
68.99809	0.1
69.88124	0.0
76.13061	0.1
80.44097	0.1
80.58794	0.0
81.07037	0.1
82.35388	0.1
91.05458	0.1
93.07052	0.1
94.87124	0.1
97.06533	0.1
118.77177	0.1
125.34127	0.1
131.06262	0.1
133.10091	0.1
145.10045	0.1
149.05959	0.2
153.01820	1.0
176.10696	0.1
184.05109	0.1
188.04855	0.1
201.05528	0.1
201.16455	0.1
213.05251	0.1
229.04959	1.5
230.05748	0.1
231.06177	0.1
257.04501	0.7
258.05237	37.7
259.05722	0.3
269.04370	0.1
273.07346	0.1
285.03857	0.2
286.04715	53.8
287.05063	0.4
301.07059	100.0
302.07373	0.8
302.17383	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.3
55.05515	1.2
56.96567	1.1
57.03435	0.6
65.03952	0.4
67.05505	2.1
68.99799	0.4
69.03441	0.4
69.07072	1.4
69.43879	2.0
71.05005	0.8
77.42006	0.3
79.05505	1.0
81.07063	2.8
83.04980	0.3
83.08624	0.7
85.06563	0.3
86.09718	0.4
90.29327	0.3
91.05488	1.7
93.07052	2.4
95.04987	0.8
95.08617	3.0
97.02876	0.4
97.06531	2.1
97.10178	0.3
98.97589	1.9
100.99209	0.3
105.07029	2.6
107.08591	2.5
109.06550	0.6
109.10172	1.8
110.97589	0.3
112.99181	0.3
116.98660	0.7
117.07047	0.6
119.08581	1.9
121.06499	0.6
121.10130	1.8
123.11731	0.6
125.09626	0.4
129.07045	0.4
131.00227	0.4
131.04913	0.4
131.08624	0.8
131.93530	0.3
133.10135	2.0
135.08069	0.4
135.11694	0.5
137.05943	0.4
137.09605	0.5
143.08577	0.6
145.10149	2.0
147.06834	0.4
147.08022	0.3
147.11650	1.5
149.05988	0.5
149.13329	0.3
153.01820	2.0
157.10179	1.1
158.99666	1.1
159.11652	1.4
161.09673	0.8
161.13284	0.6
163.11147	0.7
168.00563	0.4
170.15443	0.5
171.11729	0.5
173.13222	1.0
175.11386	0.3
176.07065	0.4
176.10719	0.4
177.00772	0.5
177.16360	0.4
185.13257	0.5
186.14883	0.3
187.07777	0.3
187.14778	0.3
191.14342	0.4
197.13292	0.5
198.14890	0.8
199.14885	0.4
201.16475	0.7
209.11646	0.5
215.14369	0.5
219.01872	0.9
229.05019	1.2
231.17551	0.3
252.09409	0.6
255.06363	0.4
255.11351	0.7
255.21233	0.3
257.04495	0.7
258.05249	32.3
265.19446	0.3
275.21609	0.3
283.20502	0.6
284.12540	0.3
285.03867	1.1
286.04730	58.2
287.05188	0.4
292.12473	0.8
301.07074	100.0
301.21634	4.1
302.07397	0.5
302.17572	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34256	0.4
56.96568	5.4
61.74002	0.4
69.48429	0.3
69.56394	2.8
71.95257	1.8
98.97584	100.0
99.97915	5.4
101.97200	0.5
102.96965	0.6
116.98623	34.9
117.98963	2.2
119.39153	0.4
132.64081	0.4
134.99660	8.7
140.00203	1.1
147.03253	0.5
153.00702	0.6
168.25810	0.4
168.66835	0.5
174.97588	0.5
177.00983	1.0
216.98822	0.9
219.02014	2.5
220.02158	0.5
221.01813	0.7
234.99922	0.5
240.98665	3.7
241.98914	2.2
254.93573	0.8
254.96236	0.9
258.99762	35.0
259.99924	26.2
260.99622	1.3
261.03128	0.6
272.94394	0.8
276.97824	1.3
277.00809	36.5
277.97659	1.4
278.00995	30.3
278.96939	0.8
279.00845	1.3
282.01443	0.5
282.99857	5.6
286.04742	1.2
295.01752	0.5
295.98541	0.8
300.02463	1.0
300.97601	2.5
301.01199	5.3
301.06696	0.8
301.09888	3.1
301.20023	0.6
318.98529	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	300.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.6
55.01870	8.2
55.05512	23.8
56.05025	2.0
57.03430	4.7
57.07076	1.7
59.05017	1.6
60.04527	44.6
64.62706	1.3
67.05244	1.2
67.05512	15.3
68.05001	1.7
68.32034	1.4
69.03431	1.5
69.07075	6.7
70.06602	1.7
71.05006	2.0
71.56438	1.7
71.56813	1.4
72.04501	1.6
73.02903	1.3
76.04007	5.2
79.05491	18.7
80.05016	2.6
81.03419	11.0
81.07057	13.3
82.02950	1.3
83.04976	12.6
83.08624	12.8
84.04510	2.2
85.02899	14.7
85.06540	2.0
86.06074	2.1
88.03984	6.1
91.05450	8.2
93.07040	13.4
95.04964	5.0
95.08603	5.7
96.04499	1.7
97.06528	6.5
97.10178	18.7
99.04485	1.5
105.07016	6.1
107.04955	4.3
107.08592	12.7
109.06516	1.9
109.10183	2.9
111.04458	8.8
111.08067	4.0
117.07012	3.7
117.34373	1.3
119.08562	6.9
121.10123	4.9
123.08121	1.8
125.09637	15.9
126.05523	2.6
129.06999	2.3
131.08542	4.6
135.08070	3.0
135.11700	8.7
143.27327	1.4
145.10101	8.5
147.08046	3.9
153.12729	5.9
155.08571	2.6
163.11174	7.5
168.00534	2.2
173.09616	5.1
181.12202	2.2
191.10577	6.4
193.12192	4.5
196.00606	1.5
214.99649	1.3
222.14888	1.7
231.93599	1.7
261.29840	1.4
285.03897	3.2
286.04706	18.7
300.18060	100.0
301.07047	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	300.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01874	9.2
55.05512	25.8
56.05021	1.5
57.03440	4.7
59.04992	1.6
60.04529	41.6
65.60976	0.9
67.05179	1.1
67.05508	14.4
67.94574	1.0
69.03412	4.1
69.07079	5.4
71.04965	2.4
71.56279	1.0
71.56668	1.3
72.04494	1.4
76.03988	3.8
79.05062	1.3
79.05495	15.9
80.05003	3.5
81.03419	11.2
81.07056	13.6
83.04983	12.1
83.08616	12.2
84.04485	2.0
85.02913	13.4
85.06522	1.9
86.06042	2.5
88.03991	5.3
91.05483	7.6
93.07051	14.4
95.04948	4.2
95.08609	6.1
96.04515	1.4
97.06522	5.5
97.10177	18.0
98.06095	1.1
99.04433	1.6
102.63692	1.0
105.07030	3.1
106.06541	1.2
107.04966	5.5
107.08603	14.0
109.06493	3.3
109.10130	3.6
111.04436	7.7
111.08084	3.0
115.06313	1.7
117.06999	3.0
119.08580	6.1
121.06490	1.8
121.10151	5.3
121.20551	1.0
123.08017	1.5
125.05982	1.6
125.09638	14.3
126.05527	3.2
129.06993	2.5
130.07730	1.1
131.08548	4.2
135.08052	2.5
135.11705	8.3
137.09691	1.2
143.08684	1.1
145.10123	9.6
147.08044	3.5
153.12740	5.9
155.08571	1.4
157.10107	1.6
163.11209	5.2
168.00610	1.4
173.09644	3.7
181.12262	2.8
191.10623	3.9
193.12280	4.9
199.11816	1.2
203.12733	1.2
208.13467	1.3
222.15007	1.4
285.03882	1.2
286.04752	7.9
300.18060	100.0
301.07086	11.1
308.31607	1.0
311.58572	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14196	0.6
53.03946	0.8
55.01869	4.3
55.05507	3.1
56.96555	1.3
58.45396	0.6
69.03421	1.5
70.06590	4.7
71.04984	0.7
71.26574	1.7
77.03972	0.8
79.05464	0.8
79.68303	0.6
83.08628	1.4
84.14929	0.7
85.02898	1.4
86.09718	1.3
91.05486	5.8
92.25184	0.6
93.07047	8.0
93.30361	0.6
95.04966	1.8
96.10580	0.6
97.29176	0.7
98.97578	2.6
103.05466	4.8
105.07027	1.4
107.04954	21.3
112.23502	0.6
115.05423	3.4
116.07108	0.7
116.26018	0.6
117.07005	1.2
119.04951	4.3
121.02908	4.8
121.06503	93.9
122.05992	0.7
123.04409	2.6
129.06998	0.7
131.04906	1.3
133.06480	4.5
135.04373	0.7
137.05981	1.6
143.04918	3.2
145.06476	3.5
147.04402	12.7
157.06540	1.4
158.99715	1.9
160.05676	2.5
161.06001	5.3
163.03958	1.9
164.07083	1.0
167.08582	4.9
169.06215	2.4
170.07295	0.8
171.04457	0.8
171.08008	0.9
175.03906	4.1
176.04724	3.5
177.00772	0.8
177.05577	1.0
177.07004	2.1
181.06421	1.4
185.09659	1.9
189.05467	32.8
191.08516	1.5
191.10219	0.7
194.07233	1.0
195.08044	21.6
198.06731	2.2
199.07567	0.8
206.08119	1.9
209.09717	1.2
213.05405	1.4
213.09100	6.5
219.01834	0.7
220.07767	1.0
223.07536	16.8
226.06236	3.9
229.15569	0.8
237.09154	1.0
241.08583	68.2
255.10176	1.8
257.13596	1.4
282.16959	2.0
283.09650	100.0
288.55301	0.6
300.12320	19.0
300.17752	11.6
301.07306	0.8
301.12762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2006
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03946	2.3
55.01864	2.7
55.05516	9.2
56.96562	2.6
57.07076	3.3
59.05016	2.2
65.03933	2.5
67.05502	13.4
69.03438	8.5
69.07065	9.3
71.04984	2.2
71.26823	1.9
72.51879	1.4
79.05495	15.5
81.07052	15.1
83.04975	4.4
83.08201	1.3
83.08625	8.1
85.06557	3.2
91.05495	18.4
93.07050	18.8
95.04975	46.4
95.08607	11.6
97.02891	1.5
97.06529	4.7
97.68920	1.3
98.97582	4.8
105.07036	25.9
107.04963	1.7
107.08604	23.0
109.06535	20.8
109.10148	12.9
111.08096	1.9
115.05471	2.7
116.98623	1.5
117.07021	9.7
119.08582	41.9
121.06499	10.7
121.10142	17.9
123.08061	4.9
123.11665	2.1
124.37955	1.5
125.09608	2.6
128.06224	4.7
129.07016	4.1
130.07755	5.6
131.08586	13.4
131.87936	1.5
133.06535	2.4
133.10139	18.3
135.08075	19.1
135.11713	6.9
136.08826	1.7
137.09630	7.9
137.65271	1.3
141.06976	1.7
142.07782	5.9
143.08578	17.7
144.09337	2.6
145.09045	3.0
145.10127	41.7
147.08080	4.8
147.11691	6.2
149.09616	6.3
149.13228	2.0
151.11122	1.6
155.08560	6.6
155.10686	1.5
156.09343	5.3
157.10139	17.7
158.07321	4.7
158.10863	2.0
159.08081	4.8
159.11684	15.7
161.09607	9.1
161.13202	3.0
163.11136	6.7
168.09389	2.3
169.10092	7.7
170.10939	3.3
171.11700	15.4
173.09644	10.7
173.13206	9.5
175.11102	2.0
177.09094	3.4
179.10831	1.5
181.10124	4.7
182.10976	4.8
183.11703	10.4
185.09616	3.4
185.13278	9.1
187.11223	3.4
187.14845	3.8
189.12762	3.5
191.10718	2.9
193.10103	4.2
195.11635	5.0
196.08800	1.6
196.12370	1.8
197.13239	12.6
199.11240	6.4
199.14859	11.4
201.12831	3.1
207.11662	4.3
208.12454	2.1
209.13249	2.4
210.10399	2.3
211.11255	3.8
211.14815	5.8
212.14287	2.2
213.12741	2.4
213.16431	2.5
215.14311	7.3
217.15852	4.5
221.13202	2.3
223.14775	6.0
225.12741	12.6
225.16342	1.8
237.16357	1.6
239.18039	3.6
241.15875	10.1
243.13908	8.9
251.14415	1.7
253.19539	12.4
256.13336	3.5
257.19025	6.9
263.18073	2.6
269.15463	2.0
271.20654	2.5
281.18961	20.4
299.17404	26.7
299.20074	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2006
Annotation	Totarolenone
Peak:m/z	Relative Intensity
53.03954	1.4
53.79821	0.7
55.05514	5.9
56.96567	2.0
57.03433	1.6
57.07071	0.9
67.05510	5.3
69.03411	1.6
69.07076	4.5
69.19282	8.0
71.08632	2.3
79.05498	5.5
81.03417	1.7
81.07051	7.0
83.04977	4.0
83.08620	2.7
85.02896	2.7
85.06532	1.2
91.05477	25.4
93.07037	7.1
95.04932	4.0
95.08610	7.2
97.02869	1.0
97.06531	2.7
98.97581	2.8
99.08078	3.1
101.06016	2.1
103.05460	1.5
105.07027	14.4
107.04946	2.4
107.08581	8.4
109.06511	2.3
109.10149	3.0
111.04427	3.5
111.08146	0.7
111.55999	0.8
115.05449	1.6
116.06235	6.3
117.07021	2.4
119.04945	5.1
119.08593	14.8
121.06471	3.3
121.10145	8.6
123.08051	1.5
123.11725	0.9
125.09622	3.1
129.05521	1.1
129.07011	8.1
131.00078	1.0
131.08565	40.8
133.06531	1.5
133.10127	4.2
135.08046	3.1
135.11676	0.9
137.05977	2.0
137.09615	1.1
141.09119	1.0
142.07817	1.5
143.08537	4.2
145.10132	4.5
147.02998	1.0
147.07979	1.6
147.11703	2.3
149.09621	6.0
155.08563	2.2
156.09346	2.9
157.10127	5.8
159.08057	100.0
159.11685	2.7
161.09593	2.8
161.13269	1.5
163.11145	1.2
167.08624	1.5
167.53566	0.8
169.10129	2.8
171.11678	4.9
175.11235	1.9
182.10892	1.7
183.11696	2.8
185.09644	1.7
186.12802	1.4
187.11137	1.3
189.12720	3.2
193.10236	1.1
195.11737	2.4
197.13248	2.6
199.11183	4.2
199.14952	1.5
200.14403	1.1
201.12747	2.0
206.10861	1.0
207.11693	2.6
207.13693	1.1
211.14874	1.4
212.14372	2.2
213.12749	1.6
215.14359	1.0
221.13339	2.0
223.14819	1.9
224.08008	1.3
225.12746	4.1
228.13806	2.0
234.14043	1.0
239.14429	1.6
243.13809	1.2
249.14876	2.2
253.19583	1.5
256.13248	2.1
257.16489	1.8
257.18997	1.8
262.52271	0.9
263.17896	3.6
281.16031	1.3
281.19009	21.9
291.03842	0.9
299.05762	0.9
299.17441	25.2
299.20087	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2004
Annotation	Triptobenzene D
Peak:m/z	Relative Intensity
53.03932	0.9
53.53563	0.6
55.05496	2.8
57.03435	1.0
57.07064	0.8
67.05499	3.8
69.03436	1.1
69.07054	2.3
70.92695	0.8
71.00769	0.8
71.04987	1.0
79.05496	5.8
81.03410	0.7
81.07056	4.1
83.04970	2.2
83.08601	2.7
91.05486	24.3
93.07046	7.7
95.04980	2.5
95.08612	5.9
97.06536	1.2
98.97587	1.1
103.05456	1.2
105.07030	11.5
107.04951	1.0
107.08588	5.7
109.06520	1.5
109.10140	2.1
115.05452	2.5
116.06239	5.3
117.07010	2.1
119.04939	5.2
119.08582	13.1
121.06477	1.3
121.10139	5.1
123.08073	1.7
123.11698	1.1
125.09622	2.2
128.06267	1.0
129.07001	7.8
131.08571	39.1
133.06615	0.7
133.10139	3.0
133.71150	0.7
135.08032	1.9
135.11656	1.2
142.07744	1.8
143.08557	2.4
145.06468	1.3
145.10132	2.6
147.08072	1.6
147.11682	2.8
149.09601	4.5
152.44333	0.7
155.08504	1.1
156.09367	1.4
157.10170	3.5
159.08060	100.0
159.11725	2.4
160.89130	0.8
161.09639	2.8
161.13245	1.6
169.10133	2.8
171.11707	4.8
173.09573	0.9
173.13263	0.9
175.11145	1.4
181.10132	1.0
182.10847	1.4
183.11684	2.4
185.09660	1.5
187.11209	1.3
189.12726	4.2
193.10190	1.4
197.13246	2.8
199.11211	3.8
199.14877	1.5
201.12831	1.6
206.10899	1.4
207.11707	2.0
207.13727	1.0
209.13382	0.9
211.11140	1.5
211.14818	0.9
213.12727	1.2
215.14297	0.8
221.13295	2.2
223.14738	1.4
225.12766	2.4
225.16425	0.8
233.13306	1.4
235.14816	0.8
239.14355	1.4
243.13818	1.9
253.19563	1.7
256.13239	1.5
257.19043	1.2
263.18015	3.1
269.42145	0.7
281.19150	20.1
299.17398	8.7
299.20099	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
65.46471	0.9
67.05537	1.4
71.57597	1.1
81.07044	1.0
83.44958	0.9
95.08640	1.6
100.52206	0.9
105.07005	1.0
109.10241	1.1
145.10147	1.0
147.07953	1.0
164.29155	1.0
186.75754	1.0
197.73932	0.9
245.49933	1.1
245.56760	1.0
299.19708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.4
55.01860	3.0
55.05506	15.1
56.79650	2.7
57.03420	8.0
58.92408	3.0
67.05504	48.9
69.07059	8.7
71.29853	6.5
79.05495	76.7
81.03445	6.2
81.07053	40.5
83.04993	15.5
83.08605	4.5
91.04979	4.9
91.05488	63.5
93.07047	89.3
95.04974	19.7
95.08610	18.9
97.06500	5.4
97.10181	3.1
105.04556	3.2
105.07030	48.1
107.04945	5.9
107.08605	17.3
109.06511	8.8
109.10147	4.3
117.07009	10.8
119.08586	25.0
121.06473	5.2
121.10133	4.1
123.08033	7.4
128.06288	3.6
129.07010	18.4
133.10112	13.3
143.08551	11.9
145.10107	10.9
147.08006	3.7
147.11688	55.5
156.09294	3.3
161.09621	7.0
161.13251	12.4
163.11230	2.6
171.11691	40.4
189.12746	18.3
207.13806	33.6
209.11472	5.2
232.88939	2.5
252.66917	2.4
255.04774	2.5
260.43164	3.0
281.17493	100.0
299.17526	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	299.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34060	2.1
53.03935	7.5
55.01857	4.2
55.05310	1.8
55.05513	21.3
56.96561	7.0
57.03438	12.2
57.07056	2.6
65.03954	2.1
65.56442	2.3
67.05168	3.3
67.05505	48.0
67.96563	2.1
69.03434	3.2
69.07059	14.5
70.06579	1.7
71.04989	5.8
73.06551	3.0
75.30985	1.9
78.05373	1.8
79.05495	66.7
81.03413	10.9
81.07055	42.3
83.04982	16.2
83.08591	6.3
84.04493	7.3
85.02909	7.7
85.06535	4.3
91.05486	52.6
93.06474	4.1
93.07046	67.4
95.04969	20.4
95.08041	3.0
95.08606	27.8
97.02886	4.6
97.06528	7.3
97.10187	5.5
97.92247	2.1
98.97573	6.8
105.07035	39.9
107.04939	7.6
107.08606	20.8
109.06544	4.3
109.10144	7.6
111.04331	3.1
111.08112	3.1
112.99075	2.1
115.05362	2.0
116.98598	4.5
117.07005	9.4
119.08583	24.6
121.10130	9.6
123.08061	5.1
128.06224	3.0
128.19012	2.0
129.07011	17.1
131.08525	4.1
133.10126	12.3
135.11708	4.4
143.08545	9.3
145.10139	14.0
147.08072	4.0
147.11688	37.6
156.09282	2.2
157.06537	2.3
158.57106	2.1
158.99602	2.1
159.11685	3.5
161.09616	6.4
161.13272	15.8
170.09587	2.6
171.11699	31.6
173.13185	2.5
185.11839	4.2
185.13377	2.7
186.12712	2.9
189.12708	12.4
197.13310	2.6
207.13763	28.0
212.14371	5.5
228.13815	11.4
229.04887	2.6
242.73965	2.2
256.13348	11.4
257.16568	2.6
267.09201	3.4
281.17474	100.0
299.09579	3.7
299.17514	98.2
300.17932	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	299.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.05517	20.9
57.03439	9.7
63.82853	3.4
66.92371	3.4
67.05506	50.0
69.07073	19.4
72.46598	3.7
79.05495	85.3
81.01584	4.2
81.03421	6.8
81.07060	43.9
83.04979	13.4
83.08611	10.5
83.67032	3.4
85.06519	4.0
91.05487	65.0
93.07049	99.0
95.04980	20.4
95.08609	28.7
97.06537	11.0
97.10153	4.2
97.76109	4.0
98.97556	5.8
105.07038	47.3
107.04957	5.7
107.08604	20.7
107.72731	3.5
109.06532	6.5
109.10144	8.1
110.99468	3.1
117.07032	8.8
119.08578	25.8
121.10157	5.4
123.08044	9.8
129.06966	17.5
131.08603	5.2
133.10136	10.1
143.08545	13.2
145.10136	17.1
147.11687	59.4
159.08134	3.2
161.09628	6.9
161.13252	16.0
171.11722	43.5
189.12746	14.9
207.13826	33.9
256.13245	5.7
281.14273	7.2
281.17471	100.0
281.22183	4.2
299.14581	7.6
299.17487	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1755
Annotation	Fumigaclavine A
Peak:m/z	Relative Intensity
55.80152	0.2
56.68884	0.2
67.05488	0.3
69.92024	1.3
70.06586	1.4
82.06505	0.3
85.45491	0.2
98.06071	0.3
98.97572	0.3
110.06053	0.4
121.06610	0.2
128.06221	0.2
130.06538	0.2
134.09703	0.3
143.08516	0.4
145.08882	0.4
157.08856	0.4
157.10138	0.3
158.09576	0.4
159.08060	0.5
160.11241	1.3
161.09688	0.4
170.09671	2.1
171.10455	0.5
173.09705	0.4
183.10439	0.4
184.11215	1.0
185.11987	3.2
186.12776	4.5
187.07526	0.3
188.10780	1.1
196.11240	0.2
197.11974	0.4
198.12799	2.1
199.09944	0.7
199.13615	1.3
200.14317	2.5
201.07825	0.3
202.12224	1.1
210.12715	0.4
212.10887	0.5
212.14337	5.6
214.15883	0.3
224.14479	0.4
225.11473	0.3
226.08685	0.4
226.12244	0.7
226.15927	0.7
227.09451	0.6
227.13014	0.4
228.10333	0.3
228.13838	7.3
230.11790	0.6
237.11496	0.3
238.12297	1.2
240.10333	0.6
242.15335	0.5
252.13664	0.5
253.17027	0.5
254.11694	1.6
254.15582	0.3
255.12544	1.1
256.13339	8.8
257.16476	3.0
259.99252	0.2
264.13980	0.4
270.14810	1.4
271.17947	1.4
281.16473	1.2
282.14880	0.8
299.17538	100.0
300.17780	0.5
304.50223	0.2
319.60870	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70732	1.3
55.05486	3.4
56.68682	1.4
56.96567	21.7
57.03427	1.3
67.05484	5.9
69.03416	2.3
69.07056	3.2
70.06567	3.1
71.56627	1.6
79.05476	3.5
81.07056	6.8
83.04967	1.4
84.04461	1.4
85.05079	1.4
91.05443	4.7
91.13264	1.4
93.07027	5.3
95.04935	2.5
95.08589	5.3
97.02856	1.5
97.06518	5.5
97.10192	1.4
98.97558	4.5
105.07008	7.2
107.08567	5.2
108.48932	1.5
109.10119	4.8
119.01786	1.9
119.08559	4.7
120.74168	1.6
121.10093	3.5
126.20792	1.3
128.72531	1.5
131.04918	1.7
131.08569	3.2
133.10095	4.2
135.08086	1.6
135.11705	1.3
137.02715	2.1
137.05913	3.3
139.00652	3.5
143.08572	2.2
145.10068	2.8
147.11687	2.1
149.13225	2.1
153.02209	3.4
157.01750	2.1
157.10118	2.5
157.41217	1.5
158.09647	1.3
159.03261	1.6
159.11661	2.4
161.13252	3.0
167.03755	4.2
169.10158	1.3
169.48814	1.4
171.03267	3.9
171.11664	3.1
175.07555	2.6
177.09158	1.5
179.03731	1.6
185.04851	11.4
185.11916	2.2
187.61316	1.5
190.32457	1.3
196.31644	1.4
199.06331	1.7
203.05766	8.1
211.06410	2.8
212.14333	3.5
223.06335	2.9
228.13797	5.3
229.07486	1.6
237.08055	1.5
241.11113	1.4
249.07904	10.3
256.13266	7.6
257.16342	1.8
267.09036	100.0
270.14862	2.4
281.13654	2.5
285.10104	79.8
290.10696	6.6
299.11923	30.2
299.14728	7.4
299.17438	58.3
299.20169	7.3
308.11526	4.0
317.12772	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	298.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.4
55.05511	2.5
56.96565	10.3
57.03434	3.3
57.07076	28.1
61.02927	4.1
63.04496	18.8
67.05496	4.0
69.03417	7.4
69.07068	3.2
70.00835	7.7
70.06580	7.2
71.04991	4.3
72.08131	2.0
74.63812	1.7
79.05467	3.2
81.03411	4.7
81.07043	3.9
84.08132	1.7
85.02509	1.8
85.02911	21.9
87.04477	2.5
91.03991	2.7
91.05471	2.5
93.07026	2.8
93.52546	2.0
97.02908	10.3
97.06541	3.5
98.97556	6.3
99.04452	1.9
105.07024	2.8
116.98643	2.3
119.10701	100.0
120.08070	2.2
122.06004	2.4
127.03921	2.9
135.04449	1.7
136.06178	7.1
137.05986	3.0
145.04962	3.2
147.04448	2.8
149.06009	2.7
150.05486	4.6
151.06264	2.8
167.07091	2.0
178.98567	2.2
194.11818	2.6
201.04005	6.8
211.53236	1.7
222.11240	10.1
226.08247	1.8
227.09390	3.7
245.10695	2.4
249.07164	1.9
253.10791	2.2
254.11438	10.2
254.17487	4.7
255.12154	4.7
266.13861	3.6
274.97293	2.2
275.11658	4.2
278.58084	1.9
280.15524	6.1
280.18854	1.9
281.13724	4.8
298.10977	2.4
298.16348	16.2
298.20078	18.3
299.14542	1.7
299.17538	7.6
313.87128	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	6.7
61.30992	0.4
65.16936	0.5
70.27431	1.8
71.95251	2.1
82.18049	0.4
95.18591	0.4
98.97585	100.0
112.92264	0.5
116.98623	30.1
130.93275	0.6
134.99655	6.0
136.06087	0.6
172.94360	4.6
190.95421	2.2
196.52251	0.4
208.96472	0.6
214.95418	3.0
218.83862	0.5
232.96486	6.3
250.97578	2.4
256.96436	19.9
274.97507	75.9
292.98560	34.6
297.99066	1.3
299.48636	0.5
305.21313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.097
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
55.91845	0.2
57.01261	0.2
61.01157	4.9
64.43063	0.2
69.03432	0.4
71.47462	0.3
72.08154	0.2
75.02705	2.1
84.08098	0.2
85.02892	0.2
91.05491	0.2
94.04065	0.2
96.13603	0.2
97.02909	1.3
98.97609	0.5
103.02194	0.3
119.03519	0.8
136.06190	100.0
137.04601	0.3
145.03189	1.2
163.04269	1.6
174.97049	0.2
280.15439	0.5
298.09692	5.2
298.16330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81955	0.5
56.96569	6.1
70.21064	2.1
71.95269	2.8
73.73198	0.4
98.97587	100.0
116.98624	30.7
121.85458	0.5
130.93274	0.7
134.99683	5.0
140.00195	1.1
164.32567	0.5
172.94402	4.3
190.95387	2.5
197.95039	0.7
214.95474	2.9
232.96492	4.8
250.97469	1.1
251.49231	0.8
256.96460	18.1
274.97516	75.2
292.98572	34.3
293.01898	1.4
297.99136	1.5
316.00375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2788
Annotation	Oleic acid methyl ester
Peak:m/z	Relative Intensity
55.05513	64.9
57.03437	4.7
57.07078	40.1
60.05628	4.9
65.91400	4.2
67.05507	41.5
69.06726	7.6
69.07073	100.0
70.01726	6.7
70.02100	7.5
71.08636	39.6
79.05494	26.4
81.07057	58.8
83.04971	8.3
83.08617	70.5
85.06550	4.6
85.10170	19.7
85.37506	5.0
93.07037	39.4
95.08602	60.6
97.06543	24.9
97.10187	45.1
107.08602	35.2
109.10174	29.4
111.08083	14.6
111.11723	20.2
115.09705	3.9
116.92136	4.8
121.10159	47.5
123.11725	15.1
124.13549	4.6
125.09618	12.5
125.13270	6.9
129.09111	4.9
135.11700	46.2
137.13293	8.3
139.11174	11.2
139.37047	3.9
149.13239	29.0
153.12758	5.0
163.14815	15.2
165.16400	9.3
165.17734	4.4
167.14398	7.0
177.16447	9.1
185.15477	5.1
191.18010	8.5
195.17340	5.0
223.50311	4.2
247.24225	74.7
265.25290	57.8
279.23218	4.6
297.15952	10.9
297.27878	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	297.2426
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.03920	2.4
55.01863	10.5
55.05269	3.9
55.05515	71.8
55.15937	2.6
57.03419	11.1
57.07076	21.9
67.05508	95.5
69.03419	6.0
69.06725	3.8
69.07072	59.4
71.01357	5.2
71.04974	5.6
71.08629	17.5
79.05491	35.0
81.07059	100.0
83.04980	6.7
83.08625	40.7
85.06532	9.4
91.05508	13.0
93.07057	32.1
95.04949	3.0
95.08605	76.2
97.06512	6.7
97.10169	46.5
99.04422	3.2
99.08095	7.4
105.07015	9.2
107.08599	39.0
109.06565	3.5
109.10161	41.9
111.08071	6.6
111.11720	5.0
113.05991	2.9
113.09621	2.9
117.07002	6.2
119.06072	2.4
119.08592	7.1
121.10155	12.7
123.11738	18.8
125.09646	31.0
128.32944	2.7
131.08534	5.4
133.10143	5.7
135.08044	5.9
135.11699	31.2
137.09581	2.8
137.13242	12.8
141.12750	5.8
145.10170	6.0
147.11646	5.4
149.13260	8.9
151.14847	6.3
153.12714	8.8
159.11662	4.2
161.13229	3.4
163.14819	3.2
165.12686	3.5
169.15865	12.2
171.10204	6.1
173.11757	5.7
173.13190	5.2
181.12222	3.6
183.13815	90.9
187.14752	3.5
189.11243	19.1
195.13780	3.4
209.15356	7.7
219.21042	2.5
223.16953	3.6
223.68851	3.2
229.19490	2.8
243.21135	9.6
247.98961	2.6
251.23752	23.4
261.22180	35.9
279.23193	94.0
297.24307	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	297.2425
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
55.05511	10.6
57.03442	1.9
57.07081	8.7
57.07311	1.3
67.05502	36.7
69.07069	11.2
69.91360	5.5
71.04989	3.3
71.08634	100.0
79.05496	14.0
81.07061	50.8
82.00626	1.6
83.04994	2.7
83.08625	9.4
85.06538	2.3
85.10175	3.3
91.05473	14.7
93.07039	14.8
95.08604	34.7
97.06542	4.6
97.10191	8.2
99.08099	74.3
105.07024	12.6
107.08583	13.1
109.10175	14.0
111.08060	3.1
113.09617	2.4
117.07022	3.0
119.08595	10.3
121.10151	13.3
123.08101	3.1
123.11703	9.0
127.11205	5.2
127.82781	2.0
131.08572	6.6
133.10164	2.1
135.11667	10.2
137.13264	4.4
139.11156	2.2
143.68376	1.5
145.10141	5.5
147.11688	44.5
149.09589	2.3
149.13268	5.4
151.11334	1.6
151.14812	2.6
153.12741	9.2
159.11725	1.9
161.09677	1.6
161.13219	4.7
163.11221	8.2
163.14832	16.8
165.12766	17.2
167.14304	6.5
169.12221	7.9
173.13322	5.3
181.15854	7.1
187.14929	2.1
187.96301	1.8
209.15247	2.0
233.22627	3.9
233.72102	1.8
243.21060	13.1
243.93333	1.6
261.22159	23.2
279.23187	75.0
297.24442	7.8
298.27478	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	20.6
57.07057	14.1
58.02953	4.6
60.17863	3.6
63.34592	4.3
67.05500	35.0
69.03394	4.4
69.07070	28.6
69.69948	8.6
69.70356	16.3
71.08656	4.4
79.05499	20.1
81.07056	68.4
83.04961	9.8
83.08622	7.8
85.20877	3.7
89.12162	3.8
91.05489	30.2
91.45413	4.3
93.07046	65.4
95.04980	22.2
95.08601	83.1
97.06509	13.1
97.10216	4.9
98.20772	5.3
105.07033	90.2
107.08613	42.4
109.06496	8.9
109.10168	31.2
113.79457	4.2
117.07061	11.0
119.04920	5.2
119.08584	58.2
121.06536	25.7
121.10144	100.0
123.08063	3.7
123.11704	54.5
128.06206	5.5
129.06998	6.5
130.07768	7.2
131.08549	17.4
133.07671	5.4
133.10139	60.3
135.08052	8.3
135.11670	12.3
142.07756	14.6
143.08545	14.2
144.09331	4.6
145.10141	43.7
147.11699	29.3
149.09631	7.0
154.71524	4.4
157.10114	47.0
159.11670	25.4
161.09612	21.6
169.10121	11.5
171.11681	13.0
173.09657	7.0
173.13242	12.3
175.11223	19.3
175.14793	10.9
179.08597	4.9
181.10146	6.8
183.11714	7.6
185.13278	6.9
187.11198	8.3
187.14807	10.2
193.09999	4.8
194.67996	4.2
195.11607	5.7
197.13213	7.9
199.14836	6.1
201.16399	6.9
208.12384	4.9
209.13242	12.4
211.14691	5.4
213.16379	7.0
223.14865	16.3
241.15804	5.8
279.23303	5.7
297.16068	8.9
297.22046	50.1
297.25134	6.1
297.29813	12.1
298.30978	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	297.1697
Annotation	(-)-Ovalicin
Peak:m/z	Relative Intensity
53.03935	6.4
55.01875	10.3
55.05513	51.4
56.96536	2.7
57.03439	36.0
57.07063	2.6
60.46820	1.6
65.03941	5.7
67.05507	74.8
68.78208	1.6
69.03430	15.1
69.07069	28.2
69.25510	8.8
69.25940	6.9
71.01344	2.7
71.05006	8.6
71.08611	2.4
73.02901	2.6
79.05493	61.0
81.03423	23.0
81.06588	3.1
81.07058	60.8
83.04983	16.3
83.08613	17.6
85.02893	10.4
85.06540	4.8
87.04478	1.9
91.05478	37.3
93.06490	2.6
93.07049	46.1
95.04969	38.1
95.08605	33.4
97.02856	3.2
97.06535	10.3
97.10168	25.5
98.97598	4.5
99.04436	5.5
99.08075	2.3
103.05466	1.6
105.07037	16.4
107.04948	19.5
107.08595	29.2
109.02872	2.2
109.06522	9.2
109.10167	17.0
111.04439	2.2
111.08074	6.3
115.03894	1.9
117.07006	19.4
119.08588	12.0
121.06511	12.1
121.10159	13.2
123.04422	2.5
123.08076	7.2
123.11713	4.0
125.09639	20.9
129.06989	3.4
131.08562	16.8
131.25658	1.7
133.10135	10.9
135.08035	6.4
135.11682	5.3
137.05923	2.9
137.09631	2.6
139.11255	2.1
141.06990	3.4
143.08556	3.1
145.10126	9.7
147.11662	4.6
149.09605	4.6
149.13240	8.0
153.09097	2.7
157.10109	3.9
159.11693	16.1
161.09648	3.9
169.10153	5.2
171.10176	1.9
177.12743	7.7
187.11156	8.1
189.11214	14.9
193.12276	2.1
195.13721	2.6
205.12285	9.4
223.13292	51.6
238.08511	2.1
253.11066	4.6
254.11662	3.5
265.10599	2.1
274.04526	1.8
279.15747	2.2
280.16171	1.6
297.16931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97445	0.7
55.05496	3.0
56.96561	0.9
57.03432	0.9
57.07059	0.8
67.05500	4.5
69.07065	3.1
69.44276	1.8
69.44699	3.9
71.08607	1.4
77.00905	0.7
79.05479	3.3
81.03410	1.1
81.07060	6.1
83.05009	0.8
83.08630	1.5
86.09725	6.3
88.04002	1.0
91.05463	2.8
93.07040	2.8
94.07384	0.7
94.65115	0.9
95.04958	1.6
95.08587	3.3
97.02892	1.0
97.06523	2.7
98.20766	1.2
98.97585	1.6
100.08404	1.1
104.10747	7.4
105.07026	1.7
107.08588	2.7
109.10152	2.0
117.07076	0.8
119.08591	1.1
121.10130	1.2
125.00001	3.6
131.08572	0.7
138.53033	0.9
145.10121	1.8
147.06328	0.7
149.02286	0.9
149.13261	0.8
154.94183	1.0
159.11804	1.1
175.11295	0.7
184.07336	9.0
213.09740	1.0
216.09149	1.4
237.13347	6.1
243.14476	1.2
253.10786	0.8
254.12219	0.8
255.14458	11.4
256.14606	0.9
265.14130	48.4
273.15805	0.8
276.23282	1.2
278.16016	1.4
279.15741	5.5
279.22324	2.6
297.16718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08878	0.5
55.05503	0.9
57.03424	0.5
60.08166	0.5
67.05488	1.7
69.07062	1.2
71.07748	1.0
71.08089	0.6
73.33202	0.5
79.05481	1.4
81.03430	0.6
81.07039	1.5
86.09702	0.7
91.05497	0.8
93.07021	1.4
93.50196	0.4
94.25075	0.5
95.04962	0.9
95.08584	1.4
97.06532	0.5
98.97604	0.6
104.10701	1.0
105.07053	0.5
107.08539	1.0
107.40821	0.4
109.10179	0.8
117.07002	0.5
119.08565	0.5
121.06523	0.5
121.10193	0.6
133.10143	0.6
145.10114	0.9
177.85948	0.5
178.78160	0.5
184.07314	1.7
184.08798	0.4
187.14880	0.8
205.37263	0.5
215.12227	0.4
241.43726	0.5
262.65268	0.5
279.15903	0.5
297.16724	100.0
298.17004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
56.05015	0.6
57.69184	0.2
63.14750	0.2
66.31438	0.2
67.05484	0.3
69.03419	0.4
71.98444	0.3
81.07018	0.3
84.08144	0.4
91.05428	0.4
98.20717	0.6
104.05331	0.6
135.04443	0.3
198.12798	0.3
223.07210	0.4
224.07043	0.7
225.07843	6.8
226.08557	0.4
226.12198	0.8
236.10812	0.4
237.11404	0.5
238.08617	17.6
239.09421	7.7
251.09285	0.6
252.08113	0.3
252.10202	12.7
253.10979	100.0
254.11754	57.8
261.12430	0.3
264.10199	0.9
265.11102	2.2
268.13318	2.0
279.14859	1.0
280.13321	6.2
297.15976	25.2
298.16437	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01863	3.5
55.05516	9.8
55.11469	1.0
56.05035	5.8
56.96565	3.6
57.03428	1.6
57.07075	1.7
59.04998	1.5
60.04527	7.6
65.03873	1.1
67.05174	1.4
67.05508	23.2
67.32442	1.0
68.05013	2.6
68.05836	2.3
69.03410	3.2
69.07063	8.8
70.06585	1.7
70.07397	1.6
71.04992	2.5
79.05492	16.4
80.04571	1.3
80.05018	19.9
80.05792	1.9
81.03426	15.5
81.05789	1.5
81.07061	21.5
82.06573	3.7
82.07385	4.2
83.04976	4.7
83.08611	5.4
84.04514	10.7
85.06545	2.1
86.09728	1.0
91.05485	15.4
92.04996	3.6
92.05820	1.9
93.05792	7.5
93.07037	15.9
94.06577	11.3
94.07379	2.5
95.04974	9.6
95.08611	14.9
96.04476	2.3
96.08939	1.6
97.06538	3.8
97.10169	3.4
98.06041	2.1
99.08087	1.6
103.05489	1.8
104.10744	2.9
105.07015	10.8
106.06558	15.4
106.07281	1.8
107.04955	8.9
107.08587	7.6
108.08947	2.2
109.06497	3.6
109.10173	5.7
110.06042	11.0
110.10495	1.1
111.08060	2.2
117.07012	8.8
118.06558	2.3
119.07310	1.9
119.08560	4.8
120.08089	8.4
120.08926	2.2
121.06506	3.9
121.10134	5.8
122.05991	1.2
122.10502	1.6
123.08051	2.9
124.07590	1.6
124.11189	3.2
126.09922	1.1
128.06221	1.2
129.07011	1.9
130.06540	1.0
131.04890	1.2
131.08577	6.2
133.10129	4.5
134.09612	2.5
135.08051	3.1
135.11693	3.8
136.12015	1.8
137.06029	2.6
137.09633	3.4
138.06323	4.8
139.06567	2.4
140.10690	1.7
140.53503	1.0
141.07036	1.8
143.08521	1.3
145.06482	1.6
145.10130	5.7
147.11678	2.6
149.09583	1.3
149.13301	3.6
150.13608	1.7
154.12216	2.6
157.10118	1.2
159.11713	9.7
161.09622	1.5
165.19730	1.4
169.10165	4.4
176.14359	12.5
177.12764	4.6
186.12727	5.9
186.14987	1.4
187.11182	8.5
194.15396	4.8
204.13838	60.0
205.12181	9.0
208.13321	5.0
222.12846	2.2
222.14893	19.9
226.18098	1.2
236.16457	34.9
237.14839	20.2
240.15927	6.3
254.17538	16.7
260.21021	1.6
264.15994	6.7
268.19061	1.4
273.10156	1.7
278.17715	1.2
278.21777	9.0
296.18576	100.0
296.22079	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	296.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
53.04171	1.2
53.59927	1.3
55.01859	2.3
55.05492	3.3
56.96581	1.4
57.03438	12.7
61.02928	11.7
67.60166	1.2
69.03435	19.8
70.06560	1.4
70.32672	3.9
70.33042	1.4
71.04990	3.5
73.02907	3.9
79.05499	8.6
79.38000	1.3
81.03413	6.3
81.07059	70.8
84.04487	1.6
85.02909	100.0
87.04456	2.5
91.03954	8.3
97.02901	25.1
98.97601	2.8
99.04448	5.7
99.08104	19.8
100.32849	1.3
109.02887	7.8
115.03936	2.5
116.10728	1.5
117.09135	3.7
127.03928	28.9
145.04965	50.0
163.03929	3.0
163.05998	16.9
164.04250	2.9
165.09138	1.4
196.36668	1.5
201.58900	1.5
222.79825	1.4
225.11169	1.5
243.12392	6.6
296.08292	1.6
296.15152	5.8
296.18631	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	296.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
56.96551	1.3
68.05045	0.8
69.03423	0.9
69.07059	0.7
70.06577	0.6
70.25607	0.9
70.25964	1.4
72.08164	0.5
79.05486	1.1
80.05019	0.9
84.04495	0.9
84.08138	0.7
84.96049	0.4
85.02904	1.3
91.05496	4.2
93.07039	1.2
95.04955	0.7
98.97565	1.7
105.07019	4.0
107.04925	0.8
107.08574	2.2
109.06519	0.5
110.97546	0.5
115.05434	0.9
116.98611	0.5
117.07045	2.7
117.62625	0.4
118.06513	0.5
119.08582	5.4
120.08108	1.0
121.06499	0.6
128.06242	2.7
129.06981	2.7
130.06506	0.7
130.07788	0.8
131.08524	1.1
132.05692	0.6
133.06483	1.0
133.10110	2.3
134.06006	0.5
137.05959	1.0
142.07755	0.6
143.07399	0.9
143.08565	2.7
144.08083	1.3
145.06487	1.7
145.10095	4.0
146.05997	0.6
146.09657	1.1
147.08031	5.4
147.11633	0.6
148.07559	2.6
148.11208	1.5
149.09630	2.3
155.08569	2.0
157.06471	1.1
157.08833	1.6
158.07310	0.7
158.99586	0.5
160.07574	1.0
161.04700	0.8
161.06007	0.8
161.08406	0.9
161.09624	3.3
162.05453	0.9
162.09212	0.7
162.12820	2.6
165.09138	2.2
167.07220	0.6
170.09666	0.5
171.06766	1.1
171.08028	1.8
172.11208	6.0
173.05952	0.8
173.09608	3.0
174.06783	0.9
174.09134	0.7
174.12715	0.7
175.07556	5.3
176.07043	2.0
179.10599	0.5
182.09665	0.8
183.08104	0.5
185.08360	0.8
188.10709	1.7
189.07851	0.7
189.09142	9.1
190.08638	2.1
190.12285	13.3
192.10181	0.8
193.08672	2.6
198.09164	0.5
200.10706	5.0
201.09123	2.6
203.42433	0.5
204.10170	1.3
207.10187	0.7
217.07288	1.3
218.11758	17.9
228.10286	0.7
232.09677	1.0
232.13376	1.0
236.12767	0.4
246.11279	2.1
278.13947	2.8
296.14932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2632
Annotation	METHYL LINOLEATE
Peak:m/z	Relative Intensity
53.03931	5.8
55.01867	3.5
55.05513	67.5
57.07080	29.1
57.15166	2.9
67.05186	5.4
67.05510	73.7
69.03393	3.6
69.07069	100.0
69.23837	22.6
71.04981	2.6
71.08638	14.1
79.05493	23.2
80.40732	2.4
81.07056	93.3
82.07358	2.6
83.04953	5.1
83.08145	4.7
83.08619	75.0
85.06543	5.8
85.10179	4.1
91.05492	30.5
93.07044	42.5
95.04939	3.8
95.08607	90.7
97.06549	17.7
97.10169	59.4
98.20698	5.6
99.08112	6.4
105.07039	37.2
107.08591	35.0
109.06484	3.9
109.10160	46.5
111.08083	9.2
111.11710	17.1
117.07030	3.0
119.08585	33.7
121.10140	33.4
123.08076	3.8
123.11710	24.8
125.09580	7.6
125.13278	7.2
129.09108	6.4
133.06474	7.8
133.10133	38.6
135.08052	8.4
135.11716	18.4
137.09589	10.3
137.13232	10.1
139.11179	7.7
143.10634	4.4
147.11682	22.8
149.13277	14.3
151.07527	5.1
151.11147	8.9
151.14764	6.0
153.12732	6.1
158.18102	2.7
161.13280	20.9
163.14761	16.5
165.03671	10.2
165.12737	8.8
165.16379	7.8
167.14310	5.7
175.14813	18.1
179.14249	10.0
179.17931	7.6
181.15857	5.8
183.04770	7.4
187.09499	2.7
189.16418	12.5
193.15767	3.5
199.16985	3.2
207.17520	3.0
217.19470	3.6
219.21074	4.7
221.22630	7.3
225.18394	3.4
245.20044	3.5
245.22636	75.2
263.23724	79.2
277.16019	2.7
277.21619	6.8
295.17456	3.9
295.26352	15.3
295.29236	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
53.03953	3.7
55.01875	38.6
55.05513	38.0
56.49493	2.3
57.03421	2.4
57.07056	3.3
57.26650	2.9
67.05173	3.8
67.05508	43.9
69.07071	47.9
70.95264	4.6
71.04980	3.9
71.08635	17.4
79.05493	35.4
81.03436	3.5
81.07064	62.2
83.04980	12.9
83.08625	32.9
85.06548	3.0
91.05492	26.8
93.07050	47.3
95.04974	7.8
95.08604	36.8
97.06538	52.2
97.10172	6.1
99.08092	15.4
105.07034	27.6
107.04968	3.8
107.08581	29.6
107.43485	2.8
109.06546	7.1
109.10134	12.9
111.08088	11.7
113.09756	3.2
117.07029	5.5
119.08601	21.9
121.10152	27.3
123.08072	5.2
123.11718	10.5
125.09657	5.9
131.08598	7.0
133.10138	14.9
135.08043	3.6
135.11711	21.3
137.09615	5.2
139.11159	5.4
143.08597	2.6
145.10123	5.3
147.11678	29.5
149.13277	12.5
151.11198	14.5
157.10175	3.8
159.11710	3.7
161.13260	12.8
163.11191	8.1
163.14813	3.5
165.12769	14.5
167.10677	3.1
171.11684	4.5
175.11192	4.5
175.14844	4.7
179.14323	24.2
189.12749	3.2
209.15359	3.2
225.24016	3.0
239.05997	3.2
241.19557	3.5
249.22215	3.7
258.56439	3.1
259.20471	13.3
277.21634	100.0
295.22681	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	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03939	5.4
55.01855	6.3
55.05513	20.5
57.03190	3.3
57.03441	33.9
57.07079	3.9
65.03931	2.1
67.05508	56.5
68.13459	1.8
69.07071	20.5
70.80791	5.8
71.04359	1.9
71.04978	4.6
71.08620	4.3
79.05489	38.0
81.03413	5.5
81.07060	100.0
81.28960	2.4
83.04958	4.5
83.08630	12.6
85.06533	6.0
85.10165	2.7
86.66535	1.9
91.05491	22.6
93.06468	3.9
93.07042	55.3
95.04951	6.8
95.08611	76.9
97.06512	8.2
97.10158	8.1
99.08067	7.9
101.54963	1.8
105.07022	22.3
106.62199	1.9
107.02628	2.2
107.08595	39.4
109.06518	5.4
109.10162	26.0
111.08054	7.3
113.09649	6.4
117.07014	5.5
119.08588	16.5
120.32285	2.9
121.09322	3.0
121.10151	43.0
123.08069	10.3
123.11746	9.6
125.09624	5.4
131.08578	11.9
133.10132	20.5
135.08044	2.2
135.11697	27.5
137.09590	8.0
139.11192	4.4
145.10124	13.7
147.11671	12.1
149.09586	3.9
149.13252	13.0
151.11151	10.5
159.11703	11.7
159.12825	2.4
161.13297	9.4
163.11168	5.2
163.14844	5.4
165.12747	8.0
167.10678	3.6
171.11667	4.0
173.13277	6.8
175.11200	2.3
175.14796	5.1
177.16367	2.6
181.12230	3.8
185.13304	3.6
187.14822	22.2
199.14790	3.3
201.16295	2.6
203.17917	3.6
205.15862	11.1
207.17430	8.0
213.16432	2.4
221.15302	4.1
221.19028	8.8
223.16936	8.5
241.19537	9.7
259.20636	15.6
266.91376	1.9
277.21622	86.0
295.22696	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	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.69125	1.6
51.54767	1.6
53.03933	6.3
55.01872	25.5
55.05271	3.0
55.05513	42.5
56.96544	3.8
57.03425	6.2
57.07060	4.9
59.04990	2.6
64.68494	2.1
65.03937	3.4
67.05510	82.1
69.03419	6.0
69.07069	44.6
69.24234	3.6
69.24642	17.1
71.04984	5.9
71.08619	6.2
77.03875	2.2
79.05495	41.7
81.03423	18.3
81.07061	75.8
83.04980	15.5
83.08618	18.7
85.06557	4.2
86.09686	2.1
91.05490	32.1
93.07046	63.1
95.04972	22.0
95.08608	64.9
97.06537	13.8
97.10167	24.3
98.20805	4.5
99.04475	1.9
99.08092	7.4
104.10740	3.0
105.07035	23.0
107.04957	3.0
107.08592	33.3
109.06516	8.1
109.10161	36.9
111.08112	4.2
111.11707	3.2
117.07021	5.9
119.08577	25.6
121.06477	2.4
121.10147	30.0
123.04432	3.0
123.08064	29.7
123.11755	10.3
125.00018	2.4
125.09640	17.9
129.07005	4.7
131.08592	6.9
133.06520	2.9
133.10130	16.1
135.08017	3.8
135.11714	18.1
137.09624	30.6
137.13274	2.1
139.11192	23.2
143.08534	4.1
145.10110	4.1
147.08066	3.9
147.11723	12.6
149.09595	2.7
149.13260	11.9
151.07588	2.8
151.11171	15.8
152.39316	1.7
153.09065	3.9
153.12752	3.5
157.10138	3.7
159.11784	4.6
161.09589	2.5
161.13234	12.6
163.11186	5.0
163.14803	4.3
164.00876	1.7
165.09105	4.5
165.12767	8.2
167.14314	3.2
171.10193	2.6
171.11656	4.8
173.13266	5.7
175.11212	3.9
175.14848	5.8
179.14334	1.9
181.12224	9.3
182.64951	1.7
183.46277	2.1
184.07430	4.1
185.13289	7.2
185.64418	1.7
189.11218	10.9
193.12184	2.0
193.15791	2.0
199.14886	2.1
203.14334	3.9
207.13710	2.6
221.15388	2.9
231.21152	7.2
235.17006	3.0
241.19493	5.5
245.28369	1.8
249.22151	20.2
252.59520	2.3
259.20541	9.7
277.21643	100.0
295.15283	6.5
295.22711	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.95107	1.8
53.03954	12.6
55.01873	5.8
55.05519	18.9
57.07076	4.7
67.05508	45.4
69.03433	1.9
69.07072	29.3
70.07392	8.3
70.70858	1.9
71.08632	6.9
79.05496	25.8
81.03425	48.9
81.07057	37.7
83.04973	12.0
83.08644	9.4
85.10165	2.0
91.05490	12.9
93.07053	25.7
95.04966	23.7
95.08615	18.6
97.06569	2.8
97.10176	5.7
99.08100	4.4
99.28815	2.1
105.07037	14.9
107.08605	21.0
109.06523	7.6
109.10146	15.4
111.08093	2.3
119.08566	11.5
121.10136	9.7
123.08040	3.4
123.11726	5.0
125.09631	6.5
125.34879	1.8
131.08525	4.1
133.10136	13.7
135.08058	4.3
135.11722	9.6
137.09647	2.3
147.08069	1.7
147.11688	7.6
149.09610	2.1
149.13272	6.1
151.11192	37.3
152.66345	1.8
153.09091	3.7
154.86307	2.0
159.11705	2.0
161.13235	9.6
163.14821	3.8
165.12717	9.0
171.11667	3.2
173.13179	2.1
175.11174	2.3
175.14796	3.6
179.14369	9.4
185.13298	2.9
189.12823	2.0
189.16493	2.2
207.13757	3.2
211.88815	1.8
217.19487	3.8
231.21146	7.2
241.19528	5.0
249.22144	4.5
259.20599	5.5
277.21637	100.0
295.22626	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)-HOT
Peak:m/z	Relative Intensity
50.60096	1.0
53.03941	3.1
55.01855	2.7
55.05267	1.3
55.05516	18.7
57.03425	4.7
57.07062	2.3
65.03939	1.1
67.05507	42.6
68.68190	1.1
69.07068	15.9
69.40612	9.4
71.04987	3.6
71.08634	41.3
79.05495	39.7
79.05966	1.8
81.03410	7.6
81.07056	45.5
83.04992	9.5
83.08624	8.6
85.06557	1.9
91.05481	22.6
93.07049	54.3
95.04967	8.4
95.08607	32.9
97.06504	7.9
97.10169	3.3
99.08093	31.7
105.07036	13.7
107.04953	4.4
107.08601	29.0
109.06514	2.7
109.10151	10.7
111.08088	3.2
113.09660	2.8
117.06991	3.9
119.08582	12.9
121.06544	1.4
121.10145	28.7
123.08083	1.1
123.11720	2.6
127.11224	1.7
129.06995	1.9
131.08571	4.2
131.92667	1.0
133.10138	10.8
135.11696	34.2
135.12712	1.8
137.09650	5.3
139.11209	1.5
141.09091	3.1
143.08562	1.2
145.10161	2.5
146.01791	1.1
147.11679	3.8
149.13257	8.8
151.11183	15.3
151.79865	1.1
153.12715	2.2
157.10121	1.5
159.11729	3.2
161.13254	8.7
163.11165	6.6
163.14854	3.1
165.12839	1.3
167.10744	1.6
173.13255	1.9
175.14868	1.1
177.12778	4.0
179.14319	100.0
181.12225	1.5
185.13232	2.0
189.11151	1.4
189.12741	1.5
195.13809	1.8
199.14879	1.9
207.13991	1.2
213.16429	1.4
221.15411	2.4
231.21144	1.8
235.16936	2.6
241.19565	1.9
259.20505	3.9
277.21625	47.7
295.22650	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	295.2269
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
53.03939	3.6
53.59695	2.6
55.01627	4.2
55.01873	36.7
55.05515	58.5
57.07071	9.6
59.04998	2.9
65.03934	3.2
67.05508	67.9
69.03439	4.6
69.07067	30.3
69.38706	8.4
69.39131	10.6
71.04995	5.3
71.08630	26.6
79.05019	2.1
79.05494	49.8
81.03420	7.4
81.06582	4.9
81.07059	80.7
83.04999	17.6
83.08622	36.1
85.06544	6.7
85.10164	4.5
91.05477	35.6
93.07047	57.3
95.04990	13.5
95.08056	4.1
95.08611	44.4
97.06524	13.6
97.10160	14.8
99.08091	25.5
105.07034	25.6
107.04961	3.8
107.08591	30.1
109.06516	6.6
109.10152	14.9
111.08080	42.8
113.09679	6.0
117.07016	6.8
119.08576	20.0
121.06391	2.3
121.10145	22.8
123.08076	2.9
123.11718	5.3
125.09652	12.8
127.07535	2.4
129.06995	5.5
131.08574	11.1
133.10133	27.6
135.08081	3.3
135.11691	18.1
137.09569	5.4
137.13289	3.3
139.11194	9.3
143.08669	2.7
145.10126	5.2
147.11673	15.6
149.09671	6.4
149.13278	20.4
151.11197	21.4
153.12686	2.9
157.10168	6.8
159.11693	6.2
161.09601	3.5
161.13277	12.8
163.11177	6.8
163.14861	4.0
165.12756	14.9
171.11678	4.5
175.11188	5.6
175.14809	3.9
177.12840	5.1
177.16510	2.2
179.14349	6.4
185.13254	2.3
189.11221	10.1
189.12744	2.6
193.12267	5.5
195.13800	6.6
220.76839	2.1
221.15358	4.0
231.21103	5.3
241.19563	6.6
249.22192	7.2
259.20547	13.0
277.21625	100.0
277.77817	2.4
295.22678	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
51.09960	2.5
53.03943	9.1
55.01884	30.4
55.05262	4.4
55.05512	59.3
55.16124	2.5
57.03427	7.1
57.07067	8.1
65.03951	2.8
67.05174	4.1
67.05508	67.6
69.03419	4.8
69.07077	28.7
70.15977	9.1
71.05026	5.2
71.08633	32.6
75.76115	2.7
79.05498	53.4
81.03395	10.4
81.07063	71.3
83.04989	18.6
83.08623	34.1
85.06561	3.3
85.10183	5.3
87.09155	2.9
91.05492	29.6
93.07050	50.1
95.04958	12.9
95.08604	42.1
97.06519	13.1
97.10179	18.7
99.08105	33.8
105.07033	23.1
107.04935	5.8
107.08592	32.7
109.06536	6.9
109.10161	20.5
111.08083	37.7
113.09633	5.2
117.06998	6.1
119.08595	13.8
121.10138	19.9
123.11717	6.5
125.09655	15.7
129.06992	4.1
131.08559	7.2
133.10155	25.4
135.11682	20.7
139.11177	8.3
141.02777	2.6
143.08621	3.6
145.10118	6.5
147.11693	16.8
149.09616	5.6
149.13246	17.4
151.11191	24.2
153.12759	3.3
157.10251	4.4
159.11646	4.1
161.13298	18.6
163.11183	10.0
163.14876	4.0
165.12753	13.1
171.10167	5.9
175.11220	3.2
175.14857	3.7
177.12761	4.8
179.14334	13.3
189.11235	12.0
193.12292	4.8
195.13824	6.5
207.13719	3.6
241.19514	6.3
249.22156	5.0
259.20517	13.5
277.21631	100.0
295.22693	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	295.2267
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03944	6.2
55.01863	5.5
55.05270	2.0
55.05512	24.0
57.03411	3.7
57.03679	1.3
57.07069	3.6
60.08142	1.4
67.05508	47.6
69.03426	3.7
69.06733	1.7
69.07070	24.3
70.00793	3.3
70.01183	2.8
71.04983	3.3
71.08237	1.9
71.08632	30.1
79.05492	26.6
79.95728	1.2
81.03414	14.2
81.06590	2.0
81.07058	32.5
83.04971	11.4
83.08627	12.7
85.02895	1.4
85.06519	3.1
86.09702	10.5
87.43320	1.3
91.05485	17.2
93.07043	32.6
95.04964	14.9
95.08608	23.9
97.06535	6.5
97.10178	9.9
99.08094	21.9
104.10722	1.4
105.07036	13.4
107.05012	1.2
107.08604	16.2
109.06507	4.5
109.10151	14.8
111.08067	3.1
116.52152	1.3
117.06993	3.6
119.08568	11.1
120.27704	1.3
121.06464	1.9
121.10150	12.9
121.68671	1.3
123.08073	6.3
123.11671	3.8
124.99986	9.0
125.09609	6.3
127.11205	2.9
129.06992	2.7
131.08591	3.6
133.10127	8.4
135.08009	1.7
135.11693	11.3
137.09584	9.5
139.11162	3.3
143.08521	1.7
145.10121	3.6
147.11722	6.6
149.13235	5.2
151.11182	25.3
153.12747	2.4
158.36296	1.3
161.13243	6.3
163.11174	7.6
163.14844	1.7
165.12776	3.9
171.11647	2.1
173.13307	1.4
175.14835	2.5
177.12692	2.1
179.14333	12.0
184.07335	26.7
185.13326	2.1
189.11218	4.1
193.15868	1.9
199.14734	1.3
207.13733	1.6
214.12494	1.3
221.15387	4.1
231.21069	2.1
241.19579	2.8
249.22195	2.9
259.20605	5.2
277.21634	84.2
295.22678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03938	3.2
55.01865	5.5
55.05511	23.1
55.50773	2.0
57.03433	4.0
57.07068	9.0
67.05507	49.6
69.07071	20.3
69.53304	13.0
71.04991	2.9
71.08636	46.6
73.40308	1.9
79.05492	42.2
81.03416	10.3
81.07060	55.9
83.04988	17.5
83.08607	14.1
85.06540	2.4
91.05486	28.9
93.07043	61.1
95.04993	11.7
95.08604	39.6
95.09172	3.2
97.06512	10.2
97.10166	5.7
99.08100	39.8
101.61180	1.9
105.07048	20.1
107.04972	8.3
107.08604	31.4
109.06560	4.7
109.10170	13.9
113.09628	2.9
117.07040	2.4
119.08600	16.5
121.10146	32.6
123.08095	3.0
123.11685	3.2
125.09695	2.3
127.11168	2.4
129.07036	2.7
131.08545	5.8
133.10152	13.6
135.11693	40.5
137.09630	3.3
137.13228	2.1
139.11140	2.5
141.09120	3.4
143.08624	2.5
145.10107	5.4
147.11676	7.0
149.13264	13.4
151.11179	19.8
153.12703	2.3
159.11732	4.8
161.13255	12.3
163.11188	5.8
163.14786	2.4
165.12779	3.4
167.10829	3.5
171.11708	2.5
173.13321	3.7
174.98598	2.4
175.14850	3.3
177.12778	5.3
179.14313	100.0
189.12752	2.0
195.13791	4.0
199.14774	2.2
203.14496	2.2
213.00069	3.4
221.15350	2.4
235.16925	5.2
241.19571	3.3
242.64236	2.0
254.13121	2.5
259.20593	7.6
274.64511	3.3
277.21619	65.9
295.13614	2.3
295.22583	7.0
319.94913	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	295.2268
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03933	5.1
55.01872	15.2
55.05265	3.7
55.05512	47.9
56.02191	2.0
56.05848	5.9
56.96547	3.3
57.03429	7.4
57.07076	5.9
63.57948	2.0
65.03928	3.1
67.05507	76.8
68.05831	5.6
69.03427	5.1
69.07071	32.1
69.94132	9.3
70.07399	3.5
70.23579	1.8
71.04988	5.3
71.08632	72.7
79.05491	54.6
80.05824	7.9
81.03414	17.8
81.07056	56.3
82.07394	8.7
83.04986	12.4
83.08618	25.7
84.08950	2.6
85.06542	5.7
86.09707	5.9
87.31973	2.2
88.48217	2.0
91.05484	37.7
92.05824	4.7
93.07043	51.3
94.07377	6.7
95.04956	14.9
95.08609	43.9
96.08929	4.9
97.06530	18.8
97.10172	28.8
98.06891	5.1
98.10512	3.5
99.07069	2.6
99.08095	70.1
104.10754	10.9
105.07038	39.2
106.07374	6.8
107.04966	10.5
107.08589	49.3
108.05322	2.3
108.08926	19.1
109.06519	6.4
109.09323	4.6
109.10157	21.1
110.06847	2.3
110.10516	1.9
111.08086	6.1
111.99997	3.2
113.09615	4.7
117.07016	10.8
119.08584	26.8
120.08910	5.7
121.00458	3.4
121.06506	3.7
121.09378	3.1
121.10132	17.0
123.08076	7.0
123.11694	3.4
125.08817	2.7
125.09622	18.9
126.09946	2.2
129.07004	6.2
131.08578	7.9
132.08937	2.8
133.09247	3.4
133.10135	23.2
134.10463	4.4
135.08058	6.5
135.11681	18.8
137.09593	3.2
139.07549	4.9
139.11171	2.3
143.08571	4.0
145.10124	14.0
147.10730	2.3
147.11714	14.1
148.12064	3.0
149.09561	3.5
149.13260	5.6
150.09985	5.2
151.11194	47.2
153.12784	3.1
157.10088	3.2
159.11728	9.0
161.09616	2.7
161.12222	2.0
161.13278	22.7
163.11183	33.3
163.14861	3.6
165.12753	3.5
167.99651	2.4
171.11737	5.0
173.13251	7.3
175.14868	3.5
177.00259	4.6
177.12770	3.1
179.14340	25.8
184.07372	11.5
185.13385	3.9
189.11198	13.2
190.11601	4.8
191.11845	2.5
199.14769	3.9
207.13882	3.6
221.15450	3.9
241.19559	11.6
243.04419	2.1
249.21375	2.1
252.04811	3.2
259.20517	13.2
263.55597	2.2
275.19998	3.1
277.21466	100.0
295.21973	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.129
Annotation	gamma-Glutamylphenylalanine
Peak:m/z	Relative Intensity
53.03964	0.4
55.01867	0.5
55.05506	0.9
56.05039	1.6
56.96558	0.9
57.03437	0.7
61.02921	0.9
67.05508	0.9
68.92643	0.3
69.03422	2.8
69.07069	1.9
69.94579	1.2
70.06605	1.4
71.01365	0.5
71.04987	0.5
72.08138	0.9
73.02924	1.0
74.06111	0.4
79.05486	1.3
81.03431	0.9
81.07063	1.2
83.08643	0.4
84.04506	31.3
84.08145	1.7
85.02910	9.4
86.09712	1.7
87.04483	0.9
87.08115	1.6
91.05480	2.1
93.07066	1.5
95.04984	0.6
95.08588	1.0
97.02893	2.7
98.20859	0.5
98.97581	1.8
99.04461	0.5
99.08080	0.7
102.05573	0.8
103.05470	6.5
105.07042	0.7
107.04936	3.0
107.08608	0.4
109.02848	0.5
109.10135	0.7
110.97559	0.5
115.03926	1.1
115.07580	0.6
116.80791	0.4
116.98689	0.4
119.04888	0.5
119.08581	0.6
119.82890	0.4
120.08107	100.0
121.02914	0.6
121.08443	0.4
127.03954	2.0
129.07066	0.4
129.10251	0.9
130.05003	5.0
131.04915	3.6
131.08574	0.4
132.95775	0.6
133.04988	0.7
136.07579	0.5
137.05986	1.4
145.04997	2.1
145.06029	0.4
146.05972	0.6
148.03929	1.2
149.06030	2.1
150.07748	12.0
158.99677	0.5
160.04520	0.4
160.58812	0.4
166.08641	49.2
167.09131	0.4
174.96849	0.9
177.00729	0.5
177.05547	0.4
186.09154	7.5
190.09415	0.7
219.01762	0.7
219.12106	1.0
231.11250	0.5
232.09679	5.7
233.12724	0.5
234.99025	0.5
237.02759	0.4
263.14600	0.4
268.12509	0.6
277.12305	0.6
278.10223	4.9
295.12878	9.1
295.16730	2.2
304.94043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.08388	1.5
55.01866	4.5
55.05505	2.1
56.96566	1.7
57.03185	2.1
57.03438	22.6
59.04990	3.6
61.02918	4.8
67.05489	3.9
69.03431	100.0
69.07059	3.4
70.02956	1.7
70.06576	2.1
70.70766	1.6
71.01345	4.3
71.04978	3.5
71.56239	2.6
72.08147	3.0
73.02911	6.4
79.05473	5.0
81.03413	17.3
81.07052	5.4
83.04971	3.8
84.08119	2.7
85.02910	58.7
86.09679	2.1
87.04470	43.1
91.05478	8.1
93.07042	3.3
95.04975	4.7
95.08562	1.9
97.02901	65.4
97.06534	12.9
98.06843	5.6
98.97575	10.6
99.04444	13.5
103.03948	9.3
105.07018	2.4
107.04919	1.9
107.08556	3.7
109.02889	8.8
109.03519	1.4
109.06525	2.7
110.97537	2.3
111.04423	5.5
115.03926	58.5
116.98624	4.2
117.05431	2.1
120.08109	3.0
121.06480	1.7
123.04429	5.1
127.03914	13.6
131.08493	2.1
132.95857	2.8
133.04971	58.4
133.10121	2.1
135.04440	2.8
137.05911	1.6
139.03877	2.5
143.03419	1.6
145.04974	27.6
145.06036	3.1
146.06004	1.7
150.05463	2.8
151.03923	3.5
151.05801	2.2
158.99660	3.6
161.04401	2.9
163.05977	2.6
164.07042	2.5
165.05490	1.9
169.04956	7.2
174.96956	2.8
177.00769	3.3
180.06488	3.2
181.06900	3.6
186.05481	3.4
187.06047	1.6
192.07509	1.7
199.06039	2.2
200.04395	4.3
203.69841	1.6
211.06091	2.9
214.06712	5.1
214.08572	3.6
219.01894	2.1
223.06322	3.7
223.08928	3.7
229.07010	3.2
232.10437	10.1
236.09932	1.5
241.07088	5.4
249.13159	10.8
259.08127	4.3
267.11316	2.0
277.09177	9.7
277.12607	15.9
277.21527	2.0
278.11060	4.1
295.09528	11.3
295.13693	26.3
295.16876	4.2
295.20541	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	295.1023
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
52.05327	1.2
53.03951	1.9
55.01875	12.7
55.05503	3.7
56.96555	2.0
57.03441	28.8
59.04990	4.6
60.19457	1.1
60.95850	2.8
61.02927	11.4
67.05519	8.6
69.03436	38.1
69.07050	5.1
69.48435	8.5
71.01357	6.1
71.04987	3.0
73.02920	43.4
79.05479	5.5
81.03432	6.3
81.07063	15.3
83.04973	2.1
83.08614	3.3
85.02908	100.0
87.04468	6.9
91.03957	2.9
91.05476	2.8
93.07048	5.9
95.04951	3.2
95.08600	8.8
97.02892	35.8
97.06547	3.3
97.10158	2.2
99.04455	4.4
99.08054	1.3
102.51624	1.1
102.96873	18.7
103.03950	7.2
105.06998	2.9
107.04990	2.0
107.08605	3.3
109.02875	10.2
109.10155	7.7
114.96880	8.2
115.03178	1.6
115.03945	26.3
119.08564	3.0
120.97895	5.2
121.10146	3.3
122.99950	1.3
123.11713	2.7
127.03926	24.8
132.97911	8.1
133.04976	46.3
133.10141	2.7
135.08159	1.2
135.11664	2.1
137.05975	1.4
145.04967	22.0
146.99448	1.5
150.98956	2.5
163.06035	4.4
165.00417	1.5
169.09970	1.4
171.11928	1.1
174.98965	6.3
178.52800	1.2
181.04987	2.1
182.63814	1.5
193.00029	2.3
235.01071	3.3
241.07198	3.6
253.02159	12.1
259.20331	1.8
263.04422	2.5
267.16483	1.4
277.21606	3.5
277.25208	1.3
295.06943	3.2
295.15137	4.5
295.18506	1.8
295.22757	1.6
295.26221	1.7
312.21121	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03934	2.5
53.72230	1.9
55.01870	5.7
55.05510	4.7
56.28398	2.0
57.03443	30.8
59.05001	4.0
60.96192	1.9
61.02921	8.0
64.14168	2.0
65.56578	2.1
67.05492	7.1
69.03433	100.0
69.07068	4.2
71.01324	3.5
71.05001	2.9
71.56078	2.2
73.02921	18.5
74.06367	2.1
79.05476	5.1
81.03421	18.4
81.07036	5.2
83.04957	5.8
83.08621	2.3
85.02909	81.5
87.03996	3.4
87.04478	43.1
91.05470	3.6
93.07034	6.1
95.04955	6.5
95.08591	5.9
97.02896	59.1
97.06537	3.6
98.97578	2.4
99.04473	13.9
103.03934	9.3
105.07020	4.0
107.04916	1.9
107.08562	3.3
109.02860	7.4
109.10186	2.6
111.04441	3.3
115.03183	3.3
115.03944	53.1
117.23003	2.3
121.06496	2.6
121.10075	2.1
123.04449	6.2
123.08007	2.6
127.03905	23.2
133.04973	69.2
137.05998	3.3
137.09631	3.0
139.03909	4.9
145.04962	27.1
147.08075	2.7
150.96603	2.2
151.03850	4.1
151.07533	2.5
161.04451	2.6
163.06071	3.5
169.04912	6.3
181.05026	2.3
187.05981	3.2
211.05972	3.6
216.76418	2.6
223.11320	2.5
239.09178	3.4
241.07124	6.8
246.18867	2.2
259.08032	5.5
277.09195	11.5
293.08685	2.2
295.15256	9.6
305.88193	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	295.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85202	2.4
53.03934	4.2
55.01863	7.3
55.05520	16.0
56.96555	6.6
57.03198	2.3
57.03442	22.3
57.07063	3.3
57.76452	1.9
59.04989	4.3
60.95839	6.6
61.02921	7.7
65.03912	3.8
67.05175	3.5
67.05506	44.1
69.03433	100.0
69.07073	16.5
71.01347	3.5
71.04984	9.7
71.56751	3.6
73.02908	10.2
75.04498	3.5
79.05492	33.4
81.03431	16.4
81.06595	3.1
81.07058	55.8
82.21860	2.2
83.04961	10.3
83.08624	11.7
84.92746	2.1
85.02905	56.2
85.06516	7.2
86.09697	2.9
87.04469	47.6
91.05479	22.8
93.07046	33.4
95.04978	13.6
95.08054	3.3
95.08605	34.3
97.02891	66.5
97.06544	13.7
97.10134	4.4
97.78215	2.0
98.97573	7.0
99.04456	20.4
99.08080	2.9
102.96877	27.6
103.03940	10.0
105.07034	18.5
107.04949	3.7
107.08601	25.8
109.02881	6.3
109.06525	8.7
109.10155	17.7
110.97568	3.9
111.04456	4.3
111.08084	5.4
115.03168	3.6
115.03937	53.9
116.98581	2.9
117.05544	4.5
117.07008	7.5
119.04929	4.4
119.08576	17.5
120.97926	11.3
121.06532	4.8
121.10153	23.1
123.03560	2.2
123.04438	5.5
123.08051	7.8
123.11713	9.3
124.99992	2.4
125.09634	5.5
127.03899	16.1
128.98561	4.0
129.06989	5.1
130.34268	2.2
131.08565	8.5
133.04968	57.5
133.10143	11.0
135.08064	5.9
135.11705	15.8
137.05957	4.6
137.09605	2.7
137.13156	2.8
138.98979	4.2
143.08569	2.6
145.04968	32.4
145.10117	5.6
146.64258	2.3
146.99513	7.8
147.08064	4.8
147.11661	6.7
149.01138	2.6
149.09679	4.6
149.13242	6.8
151.03949	2.7
151.07591	2.6
157.10089	3.9
159.11708	6.5
161.13271	5.1
162.99010	2.5
163.03891	2.2
163.11192	3.7
165.00487	6.3
169.04945	6.7
175.11148	2.8
175.14749	3.0
177.00630	2.3
177.11064	2.5
177.12712	3.3
179.10669	3.3
181.12292	2.4
186.98955	4.2
187.06059	2.3
192.99951	2.3
195.13890	3.1
205.00018	6.4
207.13762	3.4
217.07265	3.3
221.15331	4.3
223.01080	3.8
229.07082	4.9
241.07130	5.8
241.19623	4.8
249.14839	2.6
253.02139	5.9
254.12996	2.8
259.08084	4.5
259.16943	2.7
259.20480	3.4
271.03091	2.5
274.09747	2.7
277.09335	13.2
277.18552	3.8
277.21582	20.6
295.09760	6.0
295.15128	56.8
295.18906	9.7
295.22214	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.6
53.03938	1.1
55.01858	1.3
55.05498	0.8
56.96561	2.5
57.03436	3.4
57.07071	0.5
58.68977	0.4
61.02921	1.4
67.05509	2.8
68.04977	0.4
69.03094	0.7
69.03432	11.5
69.06500	0.5
69.07070	11.5
70.06589	0.6
70.57932	1.5
71.04982	1.2
73.02895	0.9
78.25087	0.4
79.05074	0.5
79.05492	6.7
80.05006	0.6
81.03402	0.6
81.07076	2.4
81.63792	0.5
84.08146	0.9
85.02904	0.6
86.09686	1.4
87.04454	1.0
91.05483	3.3
93.07024	1.9
94.02948	0.8
95.08567	0.6
97.02882	2.0
97.06531	53.4
98.97572	2.8
103.05442	1.0
104.10713	0.7
105.07048	2.5
106.06544	0.7
107.04966	1.2
107.08598	0.5
108.08100	0.7
109.06512	0.8
109.10144	0.7
111.04408	0.9
111.08069	1.0
115.05417	0.6
116.98620	1.0
117.05709	1.5
117.06989	1.0
118.06544	2.9
119.04964	3.2
119.07302	0.8
119.08566	0.6
120.08099	2.2
121.06496	2.6
123.04426	1.4
123.08044	0.5
128.06160	0.6
129.09100	2.5
131.04898	2.2
131.07243	0.8
132.08099	0.9
133.02806	0.6
133.05196	2.3
133.06424	1.3
134.06006	1.2
134.09622	0.8
135.04424	3.2
136.07552	2.8
137.05978	16.4
137.09618	0.6
139.03868	2.5
143.08572	0.8
145.06488	15.4
145.10065	0.9
146.06006	4.7
147.04414	8.7
147.06796	6.3
147.07910	1.1
148.07582	5.3
149.02304	1.0
149.05991	4.5
150.05507	2.6
152.07056	0.8
158.99658	0.6
159.04417	2.5
159.08031	0.7
160.07555	1.4
161.01198	0.7
161.05972	1.0
161.08353	0.6
161.09557	0.9
162.05501	3.5
162.09149	4.6
163.03897	1.1
163.06308	0.6
163.07545	1.8
164.05817	0.6
164.07086	4.6
165.07924	0.7
166.08582	2.0
171.08034	1.0
172.11192	1.5
173.05931	0.6
173.09653	3.1
174.08942	1.0
175.07578	0.6
176.07065	23.0
177.00706	0.8
178.04970	1.8
179.05730	1.3
180.06564	6.6
181.04922	2.9
184.07330	1.1
188.10762	0.8
189.09157	4.1
190.12222	1.2
191.03453	0.7
191.07021	1.7
191.10680	0.8
200.10661	1.4
201.09117	4.5
202.12337	0.6
204.10213	4.6
213.07846	0.6
215.10748	0.7
218.11757	80.6
219.01755	0.6
231.10176	14.3
232.13249	0.9
233.08124	0.5
233.11740	3.7
235.09647	2.0
244.13310	2.9
248.12827	17.4
258.14587	0.5
262.14395	19.5
265.14371	2.3
276.12344	11.3
276.15924	24.2
277.10739	6.9
277.14026	1.0
285.09741	0.6
294.13361	30.8
294.16986	100.0
295.17566	0.6
307.82721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1701
Annotation	Sieboldine A
Peak:m/z	Relative Intensity
51.88089	0.4
53.03946	0.5
55.01874	0.6
55.05517	0.8
56.81228	0.5
56.96565	0.6
57.03434	3.1
61.02924	1.3
67.05500	1.4
69.03429	6.9
69.07071	6.2
70.06580	0.8
71.04991	0.7
71.07243	1.3
72.54044	0.5
79.05496	5.6
80.05040	0.6
81.07067	0.6
84.08112	0.8
85.02898	1.3
87.04472	0.7
91.05491	1.8
93.07015	0.9
95.04977	0.8
97.06533	46.4
98.97580	3.4
103.05478	0.6
105.07039	1.8
106.06528	0.5
107.04961	1.2
111.04451	1.1
113.52993	0.6
116.98653	0.6
117.05731	0.7
117.06989	1.6
118.06544	1.5
119.04943	1.6
119.08633	0.5
120.08076	1.1
121.02931	0.9
121.06516	1.7
122.05241	0.6
122.06049	1.0
123.04410	1.0
128.06221	0.9
129.06993	0.7
129.09140	0.9
131.04930	0.8
131.08607	0.8
132.08061	1.1
133.02878	1.0
133.05498	0.6
133.06474	3.5
133.10132	0.8
134.06001	1.3
135.04402	4.0
135.08060	0.8
136.07588	1.7
137.05986	6.8
139.03905	3.6
143.08559	1.5
144.05705	1.1
145.06485	17.8
145.10143	1.6
146.05997	2.8
147.04414	4.8
147.06790	2.8
147.07867	0.7
148.07593	4.3
149.02327	1.9
149.05968	3.1
150.05502	3.7
152.07031	1.0
155.08629	1.2
157.06493	0.5
158.07269	1.5
159.04417	1.3
159.08121	1.2
160.07579	1.3
161.05995	1.4
161.08395	1.0
161.09627	3.4
162.05501	3.7
162.09108	3.0
162.12834	0.7
163.03928	1.0
163.07529	3.3
164.07065	1.8
165.05533	0.6
167.07190	0.6
171.08081	2.1
172.11241	1.1
173.09625	7.8
175.07527	1.7
176.07066	14.3
177.05473	0.8
177.09081	0.8
178.05025	1.7
179.05783	1.8
180.06561	6.1
181.05009	3.8
183.08064	0.6
187.11183	0.7
189.09114	22.6
190.12241	3.5
191.03464	1.0
191.06990	2.9
191.10718	1.0
198.52325	0.5
200.10750	1.5
201.09111	19.2
201.10988	1.2
204.10222	6.9
205.12259	1.2
209.09637	0.7
215.10667	2.0
218.11761	59.4
227.10629	0.7
231.10156	20.7
233.08142	1.4
233.11740	3.2
235.09685	4.3
244.13399	2.2
248.12828	24.1
250.10800	0.6
262.14389	14.5
265.14337	1.6
276.12332	13.5
276.15924	9.7
277.10678	9.7
294.13379	37.1
294.17014	100.0
317.06018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2838
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03943	0.9
55.01870	1.8
55.05511	21.9
56.96565	3.2
57.03426	1.4
57.07074	13.4
59.05001	0.9
61.02938	0.7
65.03942	1.2
67.05506	34.4
69.03421	0.9
69.07070	47.8
69.88312	3.5
71.04990	2.5
71.08639	6.0
79.05492	9.1
79.97099	0.8
81.07057	87.2
83.04980	1.1
83.08620	25.2
85.06545	12.5
85.10169	1.8
91.05492	3.2
93.07047	12.6
95.04955	1.5
95.08607	100.0
97.06534	3.6
97.10172	18.6
98.97583	1.8
99.08087	11.9
99.57218	0.6
101.09596	0.7
105.07047	2.3
107.08595	11.8
109.06499	0.8
109.10160	68.3
111.08097	2.5
111.11716	14.3
113.09650	2.4
116.98688	0.9
119.08586	2.2
121.10143	8.6
123.08050	1.9
123.11707	34.1
125.09631	2.1
125.13267	6.9
126.28427	0.7
127.11196	1.3
130.81984	0.7
133.10133	2.0
135.07971	1.1
135.11676	6.6
137.13254	32.3
139.11188	1.2
139.14841	1.8
141.12737	1.5
145.10120	1.1
147.11700	1.0
149.01251	0.8
149.02364	1.1
149.09560	0.7
149.13246	8.8
151.07510	1.2
151.14827	7.8
153.12762	1.9
155.14348	0.9
159.11755	0.8
163.14822	4.8
165.16382	5.2
167.14330	1.6
169.15897	1.0
177.16394	1.7
179.17937	4.0
191.17966	1.8
193.19527	2.2
195.17305	1.2
205.19434	1.7
207.21158	1.9
208.99591	0.9
209.19092	0.9
219.10228	1.0
219.21062	1.4
223.20535	1.5
233.95129	0.7
237.22240	1.6
249.25806	1.2
275.16687	1.1
275.20059	2.6
275.27429	5.2
293.17453	1.6
293.21100	2.9
293.28375	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	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
52.74773	0.8
53.03939	1.3
55.05511	8.0
57.07071	2.4
65.03930	1.8
67.05508	89.9
69.07073	11.3
70.79208	1.4
70.79555	1.8
73.06551	1.0
79.05493	11.8
81.07058	100.0
83.04989	1.8
83.08628	5.8
85.06538	1.8
91.05499	4.3
93.07048	13.1
95.04965	1.1
95.08609	78.8
97.06520	2.2
97.10160	4.3
101.06017	0.9
105.07014	3.3
107.08600	8.9
109.06511	1.0
109.10157	47.5
111.08102	1.3
111.11701	1.1
117.07027	1.6
119.08611	5.6
121.10147	8.6
123.08101	1.8
123.11716	31.5
125.09637	1.6
129.09155	1.2
131.08571	5.9
133.10127	4.4
135.11703	7.3
137.13263	11.9
145.10130	4.1
147.11703	4.2
149.09608	2.0
149.13252	3.7
151.11185	1.7
151.14821	4.0
159.11688	3.9
161.13210	3.2
163.11186	1.9
163.14813	2.5
165.12761	2.9
165.16324	1.0
169.00253	1.1
173.13293	4.9
177.12761	3.0
177.16367	1.3
179.14314	2.5
183.13937	0.9
187.14824	3.9
191.14328	2.0
195.13939	1.0
201.16362	1.0
205.15930	1.6
209.15355	1.9
214.16444	0.9
223.16966	1.4
237.18561	1.3
243.21068	9.3
261.22125	8.8
293.24744	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2474
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03945	2.9
55.01864	3.1
55.05513	14.7
57.03422	1.4
57.07076	3.3
59.04996	1.3
60.17671	1.4
65.03933	3.5
67.05508	92.5
69.07072	15.5
71.05001	2.1
71.08625	1.7
71.56052	2.1
73.06563	1.6
79.05498	20.2
81.03432	2.8
81.07062	100.0
83.04990	3.3
83.08627	9.4
85.06562	2.7
87.92370	1.3
88.22427	1.6
91.05489	12.2
93.07047	20.9
95.04999	7.3
95.08611	73.1
97.06528	7.0
97.10172	5.1
99.08111	2.3
101.05994	2.0
105.07012	13.4
107.04974	2.5
107.08606	15.1
109.06516	6.6
109.09462	2.4
109.10167	30.7
111.08073	2.9
117.07018	3.6
119.08585	13.8
121.06518	2.3
121.10159	11.9
123.08093	4.3
123.11720	20.6
125.09610	3.0
129.06944	1.8
131.08563	9.3
133.10107	8.9
135.08054	2.5
135.11714	8.9
137.09636	3.0
137.13274	11.0
145.10127	8.2
147.11697	5.1
149.09665	4.7
149.13277	6.1
151.11194	6.5
151.14798	3.8
157.10185	1.7
158.62239	1.6
159.11736	5.8
161.13310	4.3
163.11259	3.3
163.14853	2.3
165.12839	2.9
165.16335	1.6
173.13303	6.8
175.11203	2.1
177.12817	2.5
177.16489	1.6
179.14255	1.7
187.14836	3.1
191.14339	3.9
195.13741	2.2
201.16397	2.0
205.15990	2.2
219.17665	1.6
233.11781	1.8
237.11182	3.6
243.21051	3.4
257.18970	3.0
261.22147	6.4
275.20108	27.0
293.13922	1.9
293.21106	19.6
293.24716	17.9
305.00858	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2114
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03940	4.1
55.01870	3.9
55.05513	57.7
55.85784	1.3
56.96576	6.4
57.03436	6.9
57.07072	4.3
59.05006	1.6
59.43256	1.2
62.97370	1.2
64.11685	1.3
65.03925	1.4
67.05506	28.8
68.78326	1.2
69.03432	15.1
69.07069	20.3
70.06581	2.9
71.04986	4.0
71.56324	2.1
71.56708	1.3
75.34898	1.2
79.05491	18.4
79.57490	1.1
81.03419	2.4
81.07057	34.1
81.07525	2.7
83.04991	17.7
83.08610	10.2
84.08165	2.0
85.02914	5.8
85.06544	36.9
86.06078	4.9
86.09702	3.1
87.04462	5.1
91.05483	15.3
93.07043	30.0
95.04973	8.6
95.08614	35.1
97.02887	3.8
97.06535	16.1
97.10172	2.8
98.97579	9.2
99.04449	1.3
99.08121	9.9
101.06027	2.6
105.07035	23.1
106.07354	2.4
107.04974	3.6
107.07874	1.9
107.08603	39.1
109.06524	9.8
109.10162	41.5
110.97591	1.3
111.04428	2.6
111.08054	6.8
113.09663	3.5
115.05461	1.9
116.98624	2.1
117.07034	5.6
119.04964	5.1
119.08584	19.0
120.08090	1.9
121.05743	1.2
121.06484	7.3
121.10150	35.3
123.08071	8.8
123.11688	8.7
124.07630	3.6
125.06012	2.4
125.09631	21.3
128.98640	2.4
129.07050	3.1
130.07719	1.6
131.00233	2.1
131.08592	10.3
133.07671	1.5
133.10126	18.8
135.08073	10.7
135.10709	2.1
135.11699	31.6
137.05965	7.7
137.09619	16.5
137.13258	3.5
139.07607	1.5
139.11192	19.3
141.09174	1.9
143.08638	2.2
145.10138	15.5
147.08078	2.5
147.11705	11.5
149.01195	2.4
149.05971	1.8
149.09619	11.2
149.13330	8.5
150.05435	2.0
151.07521	1.6
151.11215	8.4
152.07054	2.1
153.09113	4.4
155.10681	4.6
157.10150	3.7
158.10876	1.6
158.99655	3.0
159.08144	2.7
159.11707	10.7
161.09694	3.2
161.13307	6.5
163.11197	12.6
163.14769	6.7
164.07120	4.2
165.07440	2.0
165.12755	3.8
167.10724	2.2
168.06604	1.6
171.11681	2.7
173.13243	12.8
174.06770	2.1
175.11218	4.8
175.14803	7.9
177.00752	2.3
177.12743	4.1
179.03702	1.6
181.12254	3.4
184.07401	1.4
185.13289	1.9
187.11275	1.6
187.14822	3.2
189.09132	4.0
189.16383	2.9
191.02168	1.4
191.14279	12.5
192.15129	3.2
193.15874	3.8
197.13164	1.8
199.14841	2.3
201.00647	1.5
201.09047	2.5
201.12729	4.1
201.16373	1.8
209.15370	3.4
213.16414	2.0
217.15858	3.3
218.11900	1.7
219.01884	2.8
219.13812	8.5
229.19597	3.8
231.10260	1.3
233.08078	2.7
233.15448	1.7
233.19049	1.7
237.02908	1.8
237.14870	8.0
239.18015	2.3
247.20589	2.3
248.12799	2.5
257.12869	1.4
257.18954	6.7
272.07275	1.9
273.34152	1.2
275.13922	5.1
275.20050	23.0
275.22830	2.2
276.12411	3.4
293.05597	2.5
293.09006	1.4
293.15280	9.9
293.21115	100.0
294.13464	3.2
294.16943	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03935	1.3
54.04266	0.6
55.01875	2.3
55.05519	7.2
56.05837	1.5
56.06094	0.4
57.03417	0.6
57.07061	2.1
65.03916	0.8
67.05509	14.6
68.05843	4.2
68.67921	0.4
69.07079	6.7
69.63828	2.3
70.07402	1.6
71.04977	0.9
71.08635	2.2
79.05499	18.8
80.05838	8.5
81.03410	1.5
81.06184	0.9
81.07064	16.9
82.07386	4.6
83.04977	1.6
83.07732	1.2
83.08621	3.7
84.08945	0.9
85.06544	1.3
91.05485	9.0
92.05820	3.3
93.06158	0.8
93.07053	20.4
94.07378	12.7
95.04974	6.7
95.07709	2.5
95.08617	11.0
96.05289	0.6
96.08947	4.2
97.06536	3.0
97.09278	0.7
97.10172	2.1
98.10496	0.6
98.21549	0.5
99.08102	1.3
101.06022	0.5
105.07037	8.0
106.07375	2.2
107.04954	4.3
107.07735	0.7
107.08603	12.0
108.05764	1.3
108.08264	0.8
108.08928	7.3
109.06528	4.3
109.09271	2.8
109.10154	4.4
110.10487	1.8
111.08083	1.0
111.10792	0.7
117.07021	1.6
119.08581	5.8
120.08920	2.1
121.06525	6.3
121.09315	0.9
121.10143	8.1
122.10477	7.1
123.08059	2.2
123.10798	2.3
123.11660	1.0
124.12025	0.7
125.09640	1.5
129.06958	0.6
131.08577	3.5
132.08900	0.9
133.09245	0.6
133.10141	5.0
134.10434	2.3
135.08040	2.0
135.10789	0.5
135.11713	6.8
136.12036	8.5
137.09625	1.2
137.12379	4.3
139.11195	0.6
143.08577	1.0
145.10109	2.8
147.08031	0.5
147.11771	2.9
148.11984	1.0
149.09654	2.3
149.13290	3.3
150.13609	4.5
151.11237	2.3
151.13933	2.8
157.10120	0.6
158.10388	0.6
159.11743	2.2
161.09654	0.5
161.13310	1.2
162.13612	0.8
163.11169	1.6
163.13770	0.6
163.14932	0.7
164.11914	0.8
164.15181	1.2
165.12817	4.2
165.15495	0.6
166.85782	0.5
173.13420	0.8
174.13658	0.5
176.15158	0.8
177.12749	1.5
177.87143	0.4
189.11354	0.6
191.14359	0.5
209.11775	0.8
213.00122	0.5
219.17458	0.5
223.13396	0.6
229.19493	1.0
237.11191	1.0
237.14882	0.9
237.17792	0.6
239.17897	0.9
243.20236	0.9
247.20587	0.8
257.19006	1.7
261.18738	0.8
261.21262	3.1
275.20096	11.5
293.21085	100.0
293.23944	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	293.211
Annotation	2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane
Peak:m/z	Relative Intensity
50.10538	0.1
53.03944	0.3
55.01873	0.8
55.05268	0.2
55.05510	2.5
56.96562	0.1
57.03437	0.3
57.07055	0.5
57.39297	0.1
65.07656	0.1
67.05503	2.3
67.62958	0.1
69.03436	0.2
69.07073	1.6
69.21630	1.5
71.04974	0.3
71.08640	1.7
72.42156	0.1
79.05490	2.5
81.03399	0.6
81.07055	2.9
83.04974	0.5
83.08614	1.3
85.06529	0.2
91.05485	1.7
93.07037	2.1
95.04970	3.5
95.08601	1.4
97.06514	0.6
97.10158	0.6
99.08096	0.9
105.07042	1.2
107.04956	2.0
107.08582	1.0
108.05739	1.4
109.06520	1.2
109.10148	0.5
111.04401	0.2
111.08071	0.3
117.07012	0.5
117.11605	0.1
119.08588	0.7
121.06506	8.3
121.10123	0.8
122.07267	0.4
123.08051	0.6
125.09624	0.5
131.08546	0.8
133.10106	0.5
135.08055	0.9
135.11682	0.3
135.49020	0.1
145.10121	0.4
147.11723	0.3
149.09612	0.6
151.11177	1.5
157.10141	0.2
159.11694	0.4
163.11194	0.3
164.11990	0.9
165.12766	1.3
167.10693	0.2
171.11607	0.2
177.12787	1.2
180.10448	0.2
191.14314	0.2
223.13266	0.3
237.14836	0.9
247.20305	0.2
275.20062	1.9
293.21100	100.0
294.21490	0.6
311.11557	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03942	3.2
55.01876	49.6
55.02152	2.4
55.05517	14.0
57.03434	1.8
57.07044	1.5
67.05508	26.0
68.67625	1.4
69.07073	16.6
69.49802	8.7
71.04996	1.9
73.86102	1.1
79.05496	27.1
81.03418	3.2
81.07066	24.9
82.43746	1.1
83.04977	8.0
83.08620	5.2
91.05479	14.4
93.07044	16.4
95.04967	8.6
95.08609	10.4
97.06536	100.0
97.10166	5.3
98.42037	1.7
103.95840	1.1
105.07040	13.1
107.04977	13.3
107.08600	16.6
109.06550	6.4
109.10146	8.1
115.05475	1.2
117.07018	5.2
118.61990	1.3
119.08580	10.2
121.10112	8.3
123.08070	4.0
123.11740	2.2
125.09620	5.2
131.08583	5.7
133.10120	11.1
135.08040	2.6
135.11728	3.1
137.09633	2.4
139.07567	3.7
143.08524	1.6
145.10147	7.9
147.11684	6.9
149.09641	17.7
151.11227	2.9
159.11665	4.1
161.13310	2.5
163.11145	7.3
165.09122	3.4
171.11658	1.9
173.13239	1.8
177.12729	2.7
179.14330	5.7
189.11266	3.5
218.76015	1.5
229.19563	4.0
247.20638	6.3
249.58969	1.4
257.19022	8.5
275.20074	63.4
293.21072	6.6
300.12433	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03949	1.7
55.01868	3.4
55.05510	10.4
57.03437	16.2
57.07068	2.3
63.24083	1.0
66.21310	0.9
67.05505	21.1
69.07065	7.1
69.77180	1.7
69.77592	3.8
71.04986	1.2
71.85846	1.0
79.05497	17.3
81.03414	3.4
81.07053	21.7
83.04968	3.9
83.08610	4.9
85.06537	5.6
86.01387	1.1
90.94850	1.0
91.05481	22.9
93.07049	24.0
95.04981	5.6
95.08606	16.2
97.06536	2.4
97.10147	1.8
98.00768	1.0
99.04454	4.7
101.59218	0.9
105.07026	20.1
107.04948	4.3
107.08588	12.1
109.06511	6.6
109.10168	6.5
110.52404	1.0
111.04431	3.8
111.08097	1.3
117.07017	9.3
119.08586	13.7
121.06487	1.4
121.10160	8.0
123.08087	4.8
123.11716	1.0
124.63763	1.1
124.67371	1.1
125.09624	1.6
129.06989	1.7
131.08569	11.6
133.10133	9.9
135.08055	2.2
135.11694	5.1
137.09628	6.9
143.08618	1.8
145.10138	8.4
147.11671	5.6
149.09625	5.3
149.13271	1.2
151.11186	1.9
157.10069	1.3
159.11684	5.4
161.13173	2.4
163.11172	1.9
165.09077	1.1
173.13313	3.6
177.12772	1.1
185.13179	1.2
201.16418	4.7
203.14362	5.3
219.17442	100.0
221.15358	1.4
247.20494	2.4
257.18964	4.6
275.17270	2.1
275.20056	24.9
293.21106	23.9
293.24252	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.47686	0.6
55.01773	1.6
55.05402	4.1
55.05692	1.3
57.06997	0.6
58.36961	0.6
59.52416	0.7
60.36812	0.5
65.72064	0.6
67.05383	11.2
67.05776	2.7
69.06942	10.5
69.07355	2.4
69.71267	0.8
69.71666	3.8
71.04909	0.9
73.76078	0.6
79.05366	7.1
79.05869	1.1
81.06925	13.9
81.07451	2.3
83.04852	3.6
83.08491	2.4
85.06425	0.7
91.05343	9.3
91.05959	1.0
93.06905	12.4
93.07549	1.4
95.04829	4.3
95.08469	11.2
95.09129	1.2
97.06400	2.4
97.10072	1.6
98.20757	1.2
101.36362	0.7
105.06887	11.7
107.04816	3.5
107.08456	8.4
108.81410	0.6
109.06380	5.5
109.10015	4.2
111.07999	1.1
117.07020	3.7
119.08579	7.3
121.06503	5.5
121.10143	4.0
123.02358	0.6
123.07922	2.3
123.11604	1.4
125.09520	0.6
129.06892	1.0
131.08580	8.1
133.06415	1.1
133.10136	10.5
134.91939	0.6
135.07918	2.7
135.11565	2.4
137.09486	1.8
143.08490	1.5
145.06404	1.0
145.10120	7.5
147.07935	1.5
147.11691	7.5
149.09499	2.7
149.13097	1.5
151.11182	4.8
155.08467	0.7
157.10017	1.1
159.07947	0.9
159.11693	4.7
161.09526	2.4
161.13103	2.0
163.11058	2.5
165.12659	1.1
169.09891	0.8
171.11543	1.9
173.09564	1.5
173.13129	2.8
175.11060	2.2
177.12740	1.4
183.11685	1.1
187.11081	0.9
189.12624	0.8
191.14217	1.8
197.13197	1.2
201.12688	1.8
207.13725	2.6
215.17896	1.5
219.13815	5.0
229.19502	2.1
231.17438	1.1
233.18922	0.9
239.17908	2.7
239.87785	0.7
247.20564	1.7
254.90520	0.7
257.19052	12.6
275.20074	100.0
293.21115	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03929	4.4
55.01871	5.8
55.05511	15.8
57.03422	3.3
57.07054	1.2
61.07609	1.0
65.03925	1.2
67.05505	27.6
69.07071	15.8
71.00328	2.5
71.04996	3.0
79.05492	33.4
81.03423	7.0
81.07059	100.0
83.04962	4.1
83.08620	9.9
85.06535	2.0
91.05480	21.8
93.07043	24.1
95.04964	11.2
95.08064	1.8
95.08608	22.2
97.06535	8.3
97.10156	2.9
99.08100	1.9
103.05456	1.3
105.07034	22.9
107.04968	7.7
107.07953	1.7
107.08602	17.0
109.05798	2.4
109.06519	43.4
109.10145	9.1
111.08061	4.3
117.07036	6.6
119.08587	20.8
121.06484	3.9
121.10145	11.6
123.08086	9.7
123.11712	5.2
125.09610	3.3
129.07002	2.7
131.08566	9.7
133.06512	1.5
133.10143	17.0
135.08051	3.6
135.11693	6.7
137.09586	4.9
143.08568	2.8
145.06444	1.5
145.10114	9.3
147.07982	1.7
147.11694	14.2
149.09644	9.6
149.13231	6.1
151.11180	3.9
153.09084	1.1
157.10088	2.9
159.08160	1.6
159.11699	7.4
161.09630	2.3
161.13277	2.9
163.11215	8.7
163.14813	2.4
165.12730	3.8
171.11653	2.0
173.13234	4.8
175.11159	3.3
175.14845	1.5
177.12697	2.9
179.14389	1.3
183.11719	2.1
187.11179	1.3
191.14333	1.5
193.12254	4.0
197.13278	1.2
205.12202	1.4
215.14323	1.7
223.13234	1.6
229.19496	2.5
231.37637	1.0
239.17847	3.6
247.20596	6.3
257.19022	8.5
275.20050	65.0
293.21109	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03946	3.3
55.01861	5.8
55.05513	18.3
57.03424	4.3
65.03933	3.0
67.05502	48.3
69.03426	2.9
69.07066	17.3
69.79366	10.0
71.05001	3.1
75.05963	2.0
79.05492	39.9
81.03419	4.0
81.07058	100.0
83.04964	5.0
83.08617	11.8
85.06547	3.0
91.05482	35.8
93.07044	34.9
95.04982	11.7
95.08604	36.8
97.06536	6.1
98.21439	2.3
99.08077	2.5
105.07035	39.9
107.04953	7.4
107.08588	26.4
109.06510	24.7
109.10146	26.3
111.08069	4.2
113.06039	1.9
115.05473	1.8
117.07018	9.0
119.08578	45.2
121.06519	5.0
121.10155	13.4
123.08043	8.4
123.11712	8.5
125.09631	4.7
129.07011	3.3
131.08574	16.7
133.10120	32.2
135.08061	9.0
135.11696	8.9
137.09581	9.7
145.10120	16.1
147.11690	17.3
149.09575	10.3
149.13234	2.6
151.11163	9.6
157.10135	4.2
159.11674	8.3
161.13280	4.1
163.11200	5.2
165.12733	3.1
171.11661	3.9
173.13277	6.6
175.11139	2.7
177.12802	2.9
187.14830	2.4
193.12305	2.8
197.13216	3.4
229.19388	2.3
239.17932	4.7
247.20532	7.7
255.52429	2.0
257.19113	10.2
257.21445	2.1
275.20053	82.2
293.21112	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03943	5.2
53.51187	1.6
55.01871	14.7
55.05517	24.5
55.14571	1.7
57.03442	5.0
67.05175	3.1
67.05507	40.9
69.03423	2.9
69.07070	23.5
69.79461	10.0
71.05003	4.3
71.84418	1.7
79.05492	42.6
81.03409	7.8
81.07058	83.5
83.04980	6.5
83.08613	15.8
83.09070	2.4
85.06527	2.4
90.37141	1.7
91.05479	37.3
93.07041	30.1
93.07623	2.1
95.04968	13.1
95.08607	28.2
97.06541	17.2
97.10156	11.9
99.08113	3.3
99.77202	1.8
105.07036	36.6
107.04966	10.7
107.08598	53.5
109.06530	18.3
109.10140	16.4
111.08064	4.7
117.07038	8.3
119.08578	31.3
121.06487	2.2
121.10154	13.7
123.08073	12.1
123.11731	9.1
123.91270	1.8
125.09603	9.6
129.07028	3.5
131.08545	13.1
133.06528	2.7
133.10139	26.8
135.08076	5.2
135.11684	8.0
137.09622	6.6
141.07010	2.2
143.08568	3.8
145.06548	1.8
145.10139	13.7
147.08144	2.2
147.11699	19.0
149.09622	17.6
149.13271	2.2
151.11192	5.8
157.10117	3.2
159.11693	13.1
161.13260	3.1
163.11189	7.8
165.09196	1.9
165.12714	3.4
169.10144	2.4
171.10188	2.8
171.11713	2.7
173.09482	2.3
173.13350	3.6
175.14838	2.2
177.12663	2.4
189.11238	6.7
193.12254	4.1
197.13216	3.5
211.89130	1.8
221.15155	1.7
223.13232	2.3
229.19580	2.8
235.16945	2.1
239.17882	5.5
247.20610	4.1
257.18900	12.8
265.21765	1.9
275.20065	100.0
280.52527	1.7
293.21133	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03923	4.1
55.01873	18.3
55.05271	1.9
55.05512	24.5
57.03419	2.0
57.07037	1.4
65.03928	1.8
67.05167	2.1
67.05504	27.9
69.03424	2.9
69.07057	15.8
70.17121	5.5
71.04951	2.2
79.05495	41.5
81.03399	4.7
81.07060	25.2
83.04959	5.8
83.08619	15.3
91.05480	26.4
92.92835	1.5
93.07046	27.2
95.04994	8.4
95.05533	1.8
95.08608	19.6
97.06532	21.0
97.10166	21.9
105.06387	2.5
105.07034	30.8
107.04953	9.6
107.08594	75.0
109.06525	7.2
109.10159	8.1
111.08063	3.3
113.49561	1.4
117.07014	8.5
119.08569	17.7
121.06542	2.1
121.10149	10.1
123.08028	4.0
123.11717	3.1
125.09637	15.2
129.06996	2.4
131.08586	11.4
133.10136	20.6
135.08015	5.0
135.11667	6.4
137.09573	2.9
145.06473	1.8
145.10130	13.5
147.11685	12.5
149.09610	13.5
149.13269	2.3
151.11201	6.7
153.09048	2.4
157.10158	3.0
159.11693	8.3
161.09593	1.5
161.13213	3.7
163.11143	5.9
165.09062	4.3
169.10207	2.3
171.10190	3.0
171.11638	2.4
173.13200	3.6
177.12740	2.9
179.14330	2.2
181.12207	2.1
183.11671	1.8
187.11232	3.1
189.11253	11.6
191.14368	1.8
197.13202	1.9
205.12227	1.8
223.13251	1.5
229.19502	2.9
239.17953	5.7
247.20535	6.0
257.18942	10.0
275.20062	100.0
293.21097	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.90478	1.4
53.03938	4.2
55.01869	9.2
55.05272	1.5
55.05510	23.4
56.44341	1.2
57.03413	6.4
57.07066	2.2
58.11967	1.5
59.16853	1.4
59.85449	1.5
65.03929	2.2
67.05504	45.3
69.03415	2.7
69.07073	22.2
70.17080	6.2
71.04982	4.0
76.27955	1.5
79.05070	3.0
79.05495	41.3
81.03401	6.3
81.07057	65.2
83.04983	8.4
83.08614	13.3
85.06522	2.8
91.05479	34.7
93.07045	35.5
95.04969	24.9
95.08051	2.4
95.08609	32.9
97.06532	9.8
97.10163	7.4
98.09540	1.4
98.20840	1.9
105.06303	1.7
105.07025	36.8
107.04955	7.6
107.08594	41.0
109.06516	16.3
109.10148	16.2
111.08065	8.2
117.07014	11.2
119.08588	41.9
121.06483	5.7
121.10140	20.3
123.08073	15.2
123.11710	8.1
125.09624	6.4
129.07011	3.4
131.08571	15.7
133.10127	30.0
135.08038	9.1
135.11681	10.3
137.09618	12.8
139.11195	2.1
145.10141	10.9
147.11685	21.3
149.09641	14.5
149.13284	4.5
151.11197	8.0
155.08655	1.6
155.10689	1.6
157.10168	3.4
159.11693	9.5
161.09572	1.7
161.13286	5.2
163.11200	11.1
165.12743	3.6
169.10156	2.0
171.11578	2.8
173.09584	2.1
173.13231	6.0
177.12733	3.7
181.12285	1.6
183.11642	1.8
185.13159	1.8
187.11186	1.6
189.11241	4.4
201.16409	1.9
219.17509	2.9
220.61412	1.6
223.13339	4.8
229.19504	4.0
237.14867	1.7
239.17963	6.8
247.20544	6.8
257.18994	15.1
265.21570	2.3
275.20056	100.0
293.21097	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03941	3.8
55.01876	13.6
55.05516	18.0
57.03442	9.6
65.03914	1.9
67.05509	24.0
67.05847	3.2
69.07074	20.7
69.89638	5.0
71.04988	2.7
79.05494	39.3
81.03413	4.2
81.07063	27.5
83.04980	6.0
83.08614	10.4
85.06532	4.7
91.05487	25.2
93.07048	33.9
95.04966	9.1
95.08605	19.7
97.06526	17.1
97.10175	10.0
99.08076	2.3
105.07032	37.7
107.04946	7.8
107.08601	58.3
108.80801	1.6
109.06501	5.7
109.10172	7.8
111.08081	3.6
117.07021	7.1
119.08585	20.9
121.06498	4.5
121.10149	13.6
123.08048	5.7
125.09639	8.4
129.06984	3.6
131.08568	13.3
133.10136	20.4
135.08035	4.5
135.11676	4.2
137.09618	2.9
143.08553	3.4
145.10127	14.8
147.11690	14.7
149.09647	12.6
149.13217	2.2
151.11166	4.0
157.10103	3.2
159.11711	13.5
161.09505	1.9
161.13226	7.5
163.11200	5.2
165.09135	3.6
169.10027	2.2
171.11664	2.1
173.13275	4.4
175.11113	2.2
177.12726	2.5
181.12090	1.9
183.11742	2.4
185.13277	8.0
189.11250	6.5
197.13266	2.1
201.16428	3.4
203.14352	9.5
219.17459	16.3
221.15419	8.7
229.19476	2.8
237.14900	2.5
239.17987	7.4
247.20555	4.7
257.19019	19.7
259.81461	1.6
275.20071	100.0
293.21164	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	293.1382
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03935	0.8
55.01871	0.7
55.05511	19.5
56.96550	1.4
57.03442	0.6
57.07076	0.6
61.51625	0.3
65.03947	1.2
67.05507	2.3
69.03418	0.4
69.07060	1.2
71.04994	0.3
71.56233	0.3
73.06558	4.1
79.05493	1.8
81.03410	0.7
81.07058	3.9
83.04996	0.4
83.08611	0.6
85.02911	0.5
91.05484	2.8
93.03397	0.6
93.07040	1.9
95.04957	1.0
95.08593	2.3
97.02880	0.4
97.06538	0.7
97.10187	0.4
98.97590	0.8
105.07037	1.6
107.04968	0.9
107.08599	1.7
109.06523	0.8
109.10177	0.9
111.04485	0.3
111.08115	0.3
116.98627	0.3
117.06995	0.5
119.08577	1.6
121.02860	5.5
121.03955	1.0
121.06451	0.3
121.10142	1.9
123.08057	0.6
123.11716	0.8
128.06253	0.6
129.06995	2.2
131.00188	0.6
131.04938	0.4
131.08580	2.3
133.06444	0.3
133.10135	1.4
135.08046	0.6
135.11676	0.7
137.05989	0.3
137.09656	0.5
143.04926	1.0
145.10124	0.8
147.08076	0.6
147.11749	0.7
149.02342	100.0
149.09590	0.6
149.13271	0.3
157.06528	0.7
157.10080	0.5
159.11699	0.6
161.05991	3.8
161.13243	0.4
163.07617	0.3
163.11188	0.8
167.03415	0.6
169.10136	0.3
175.07558	12.4
175.14806	0.4
185.05978	0.7
203.07033	18.3
221.08087	4.9
229.07520	0.6
233.15262	0.3
247.08447	0.4
247.20682	0.3
275.09277	0.4
275.12802	0.9
275.20190	2.2
293.13843	7.7
293.17316	0.5
293.17990	0.4
293.21091	3.4
293.24545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33150	1.7
56.96558	3.9
63.19697	1.6
69.48911	2.2
69.49330	9.8
82.03372	1.7
98.97588	3.6
110.97589	2.5
131.00200	2.6
143.01898	5.2
148.04826	1.9
149.01198	4.2
161.02963	3.5
173.02975	3.1
188.01086	1.7
203.04074	2.5
225.45493	1.8
293.06326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18455	0.9
58.82638	1.0
63.77640	1.0
70.32469	1.0
71.07384	1.7
71.21251	0.9
82.96080	0.9
133.95068	1.0
143.21919	1.0
157.46387	1.1
161.02982	1.6
164.73740	1.1
173.02840	1.1
197.11182	1.0
293.06342	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61645	4.0
53.03936	5.5
55.01865	15.7
55.05509	68.6
56.96555	27.3
56.96802	4.5
57.03418	12.1
57.07065	5.0
59.04982	9.8
62.47192	3.8
67.05180	6.3
67.05506	79.7
69.03418	13.8
69.07072	40.2
69.26330	25.6
69.26751	16.4
70.92947	4.3
71.01348	26.5
71.04976	10.7
73.02900	8.5
79.05489	68.3
80.05015	4.5
81.03403	14.5
81.07053	75.2
82.07387	8.7
83.04973	12.4
83.08614	37.3
84.71786	4.8
85.02892	11.1
85.06542	7.7
91.05482	39.1
93.07039	47.9
94.07370	8.6
95.04972	18.0
95.08616	38.1
96.08929	12.6
97.02874	12.8
97.06534	33.4
97.10175	49.0
98.10527	4.9
98.97586	92.4
99.97919	21.7
101.08643	3.9
105.07018	31.8
107.04933	20.3
107.08599	59.4
108.08170	4.5
108.08945	8.8
109.02892	6.4
109.06515	8.7
109.10136	43.2
110.10472	9.4
111.08092	5.6
116.98593	25.1
117.07012	17.6
117.98936	6.4
119.08585	28.6
120.08923	6.2
121.06480	9.4
121.10139	15.0
123.04399	14.0
123.08028	6.7
123.11677	11.5
125.02382	4.7
125.09634	53.2
127.11182	8.6
128.06255	7.2
129.07002	11.6
131.00165	6.5
131.08499	8.8
133.06482	5.5
133.10141	24.5
134.99664	5.4
135.08022	27.5
135.11676	10.1
137.05963	13.7
139.11143	4.5
143.00142	15.7
143.08539	17.8
144.00436	7.9
145.06532	5.0
145.10143	4.8
146.10452	4.3
147.08067	23.2
149.09599	6.0
149.13237	8.2
151.11110	12.0
153.09097	25.8
157.12265	7.4
158.99597	9.8
161.01186	6.9
161.09607	33.2
164.15172	4.6
170.99657	9.6
171.08069	17.4
171.10094	8.6
171.99886	6.7
177.00710	9.0
179.10666	36.6
182.99615	6.2
184.00076	4.5
189.00705	10.8
189.09109	65.8
190.00935	8.6
197.11696	10.9
202.00990	10.8
203.12769	48.4
207.10152	55.3
211.09805	5.8
219.01799	11.3
220.02080	10.7
221.11714	48.4
225.11195	100.0
239.12761	38.2
243.12238	34.1
250.03168	18.7
250.11600	6.4
257.13852	23.2
268.04242	7.2
274.18817	12.6
290.77316	5.4
292.12735	5.9
292.19705	25.5
292.22696	29.7
292.27133	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	292.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01870	2.3
55.05495	1.9
56.96570	8.4
57.03432	3.1
60.04525	2.0
61.02925	2.4
67.05505	32.6
68.84297	1.1
69.03419	10.1
69.07067	21.5
69.59347	5.6
70.06596	5.5
71.04998	2.2
72.08148	2.2
73.02905	3.4
79.05447	1.4
81.03391	3.1
81.07039	3.0
83.04968	1.8
84.08147	10.6
84.95982	1.4
85.01141	1.4
85.02424	2.1
85.02907	23.3
85.06543	12.8
87.04479	2.1
91.03941	1.9
91.05448	1.4
94.06552	2.1
94.82386	1.3
95.04974	8.7
97.02908	8.4
98.21440	2.7
98.97598	9.4
103.27917	1.1
109.02886	3.1
110.97575	2.2
111.02660	1.7
112.01437	1.9
112.02195	36.7
112.07608	100.0
113.05341	1.6
113.06009	17.1
116.98606	3.9
119.01837	1.8
119.20471	1.0
125.00582	2.0
126.09133	1.8
127.03901	4.5
128.98592	2.4
130.03233	10.3
130.08644	35.6
130.09598	2.1
131.07039	4.6
137.06021	1.7
139.02078	1.5
141.04002	1.2
145.04947	2.6
146.09714	1.2
146.99669	2.2
147.82802	1.0
155.04636	2.7
158.99677	3.3
159.09261	1.3
167.01630	2.0
174.09148	6.0
177.00774	1.6
179.97186	2.4
191.05597	1.1
192.10304	2.0
202.04843	1.4
202.08611	2.2
210.07622	1.5
211.07217	1.6
214.05309	2.0
218.06230	2.5
218.08189	1.6
219.01747	3.4
220.09682	1.8
232.06340	2.5
236.07295	2.4
237.02808	4.6
238.03125	1.7
246.07532	2.3
248.09232	4.9
251.52373	1.1
256.06183	1.6
264.08649	1.7
274.07367	2.6
292.08405	12.2
292.11383	2.3
292.16611	2.1
292.19824	1.2
303.07562	1.2
309.08490	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2682
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
51.02366	1.1
53.03938	2.8
55.01876	4.9
55.05508	22.5
56.96554	4.2
57.03437	7.0
57.06829	0.9
57.07077	10.9
65.03937	2.3
67.05505	44.6
69.03407	3.6
69.07068	41.8
69.07456	1.0
71.04980	4.5
71.08610	3.2
71.56380	1.3
79.05494	31.1
81.03419	7.3
81.07056	100.0
83.04965	3.8
83.08151	1.4
83.08620	21.5
84.04488	1.3
85.02888	1.8
85.04865	0.9
85.06528	3.7
85.10165	1.1
91.05476	22.0
93.07045	46.1
95.04962	11.8
95.08607	96.0
97.06525	19.7
97.10164	13.2
98.97588	10.2
99.04460	2.1
99.08076	3.0
105.03384	1.9
105.07033	20.4
107.04980	7.7
107.07867	2.0
107.08595	42.0
109.06514	12.7
109.10159	56.8
110.97571	1.5
111.04436	1.0
111.08102	6.7
111.11723	9.0
115.05500	1.4
116.98617	2.7
117.07017	6.1
119.08584	17.5
121.06488	4.1
121.10142	33.2
123.00797	2.1
123.04441	1.1
123.08050	4.2
123.10826	1.8
123.11711	31.3
125.09676	5.2
125.13263	6.4
127.11228	0.9
128.06180	1.9
128.98618	2.2
129.06992	3.9
131.00146	2.2
131.08574	8.6
133.06485	2.1
133.10129	12.4
135.08052	13.3
135.10684	1.9
135.11690	30.9
137.05939	1.2
137.09641	3.5
137.13263	21.0
139.11147	4.6
141.01805	1.3
141.12733	0.9
142.07736	2.2
143.00128	1.2
143.08597	4.3
143.09540	1.0
145.10144	7.8
147.08066	4.9
147.11687	11.8
149.01248	1.2
149.09601	6.9
149.13252	30.4
151.07487	2.1
151.11195	2.4
151.14833	7.9
153.05482	8.1
153.12732	3.8
155.08517	1.9
157.10094	4.4
158.99640	2.9
159.08023	2.5
159.11667	5.7
161.09590	3.7
161.13237	5.4
163.11102	1.9
163.14821	22.3
165.06857	1.1
165.09119	1.5
165.12773	0.9
165.16403	3.6
167.10661	4.9
167.14290	2.3
169.01315	2.0
169.10094	1.1
171.11702	3.1
173.13281	1.7
175.11133	2.4
175.14799	3.6
177.00716	1.9
177.09164	1.1
177.12750	1.2
177.16412	9.2
181.15747	1.1
185.13200	1.5
187.11067	1.3
187.14815	0.9
189.12732	2.9
189.16357	3.6
191.02296	1.0
191.14369	1.0
191.17963	5.8
199.14752	0.9
202.98503	1.2
203.17943	3.8
207.13704	1.6
209.18974	1.5
211.09930	1.4
213.12720	1.0
217.14063	0.9
217.15811	4.4
217.19547	4.4
219.21109	2.1
226.66005	0.9
227.17867	1.7
231.10040	1.1
233.15283	1.2
244.99780	1.2
245.19051	1.8
247.24123	4.6
248.11418	1.3
249.02779	1.1
249.11240	7.9
249.14920	1.3
255.17511	3.2
273.18494	17.0
273.25748	20.3
274.18750	1.0
282.11188	1.3
291.12225	5.6
291.16144	2.3
291.19574	37.3
291.26801	69.1
291.61932	1.1
292.12408	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	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03933	4.4
55.01847	2.0
55.05508	17.5
57.07074	2.0
64.42203	1.2
67.05508	27.6
69.03431	1.4
69.07068	17.4
71.04993	1.5
71.26683	1.7
73.06550	2.7
74.89085	1.3
79.05495	67.6
80.07125	1.4
81.06584	2.2
81.07058	35.6
83.04995	2.3
83.08622	7.2
85.06522	4.5
91.05479	30.0
93.07045	98.3
93.42074	1.1
95.04977	6.8
95.08052	2.2
95.08604	26.9
97.06512	2.8
97.10166	4.3
105.04527	1.4
105.07018	16.2
105.38823	1.4
107.08595	60.5
109.06489	4.0
109.10159	14.2
117.06997	3.9
119.08582	23.1
121.10146	49.2
123.08048	2.8
123.11679	3.6
125.09652	1.3
129.09204	1.4
131.08551	5.6
133.10143	13.1
135.08122	2.9
135.11699	48.0
137.09616	2.1
143.08568	2.8
145.10141	8.7
147.11700	10.9
149.09595	3.4
149.13257	26.4
151.11163	1.2
157.10136	3.5
159.11632	8.3
161.13292	7.5
163.11221	2.4
163.14819	9.0
165.12746	1.7
171.11679	3.5
173.13310	5.7
175.14847	5.5
177.12723	1.4
177.16324	1.3
182.34303	1.2
185.13275	4.4
189.12744	3.6
199.14746	3.4
211.24052	1.3
213.16289	1.3
217.15953	1.3
217.19455	1.5
221.15338	2.4
231.17575	2.7
235.16876	1.7
241.19565	6.4
249.18477	1.6
259.20584	12.1
291.19672	10.0
291.23151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03946	5.2
55.01862	2.1
55.05509	16.5
57.07069	2.9
59.04986	1.5
65.03918	1.8
67.05505	36.1
69.07066	14.6
69.90571	4.5
71.39069	0.9
77.03907	1.7
79.05495	68.4
81.07060	41.2
83.04967	2.1
83.08623	9.6
85.06516	2.9
91.05479	26.6
93.07045	100.0
95.04964	4.5
95.08605	30.8
97.06524	2.9
97.10153	5.3
99.08080	1.3
105.04540	2.0
105.07044	14.7
106.60319	0.9
106.61145	0.9
107.08595	62.3
109.06554	1.7
109.10150	15.3
111.08057	2.1
117.07013	4.1
119.08578	14.2
121.10145	57.0
123.08113	2.1
123.11681	4.9
123.37147	1.3
125.09614	2.8
129.07001	2.3
131.08549	7.3
133.10118	17.0
135.08037	2.4
135.11700	61.7
137.09622	1.4
139.11143	1.3
139.90167	1.3
143.08572	3.4
145.10098	6.1
147.11688	12.1
149.09637	2.9
149.13260	32.5
151.11203	1.7
157.10196	2.3
159.11728	5.2
161.09750	1.4
161.13272	7.9
163.11171	2.7
163.14806	10.6
171.11726	5.7
173.13268	2.6
175.11169	1.5
175.14816	5.8
177.12773	4.6
179.14326	1.3
185.13293	3.6
189.12746	2.3
195.13806	1.4
199.14752	2.0
203.14330	2.8
209.15372	3.0
213.16408	3.0
217.15990	2.1
217.19519	2.5
221.15411	1.5
231.17487	2.0
231.21097	2.2
235.16927	3.2
241.19519	5.3
249.18469	2.2
259.20547	11.6
291.23181	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.21965	1.1
53.03939	5.0
54.87817	1.3
55.01868	3.6
55.05272	1.5
55.05518	24.3
57.07056	2.3
59.04991	1.7
65.03930	2.0
67.05507	42.3
69.03429	2.5
69.07067	20.2
69.21666	10.5
69.22080	2.8
71.04978	2.1
73.06532	1.3
76.11436	1.5
79.05497	75.6
81.03402	2.1
81.07059	55.0
83.04993	3.5
83.08617	11.6
85.06548	4.1
87.08143	1.2
91.05488	32.9
93.07049	100.0
95.04969	7.3
95.08607	38.2
97.06536	3.0
97.10184	5.8
98.21552	3.1
99.08103	1.3
105.04546	2.6
105.07037	22.8
107.04959	4.0
107.07871	3.1
107.08601	59.5
109.06519	5.2
109.10152	16.2
111.08077	3.3
117.07025	7.3
119.06070	1.2
119.08588	21.8
121.06515	5.0
121.10149	51.3
123.04459	1.3
123.08089	3.8
123.11724	6.0
125.09599	2.0
125.70406	1.3
129.07004	4.5
131.08580	9.7
133.06508	3.8
133.10132	18.1
135.08046	4.8
135.11694	54.0
137.09634	2.8
139.07533	1.9
143.08589	4.8
145.10141	8.6
147.08057	3.2
147.11700	12.1
147.27266	1.7
149.09639	5.5
149.13261	32.4
151.11191	1.7
157.10139	4.3
159.11720	5.9
159.73215	1.2
161.09625	3.6
161.13249	6.9
163.11188	5.4
163.14813	9.7
171.11682	5.0
173.13272	4.1
175.11229	3.7
175.14825	4.2
177.12672	2.8
185.13278	5.5
189.12794	2.5
191.14375	1.4
195.13818	1.5
199.14827	3.1
203.14371	4.4
207.13876	2.0
213.16351	1.6
217.19595	2.9
221.15492	1.7
231.21111	2.2
235.16953	2.4
239.31094	1.3
241.19504	6.3
245.19121	3.3
249.18492	2.9
259.20596	11.4
263.20001	2.3
273.18533	11.5
291.19571	60.3
291.23184	82.9
310.71646	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
50.02306	0.8
53.03946	4.3
55.01863	2.8
55.05510	22.3
57.03419	1.1
57.06824	0.9
57.07061	5.2
59.05004	2.0
65.03938	1.7
67.05508	33.8
69.03431	1.1
69.07066	21.0
69.33029	6.9
69.33450	2.2
71.04995	2.4
71.08628	1.7
73.06551	2.8
75.49464	0.9
77.03925	2.0
79.05492	51.6
81.03419	1.5
81.07059	49.0
83.04987	3.0
83.08622	12.6
85.06552	5.2
86.94386	0.9
91.05482	39.0
93.07044	86.5
95.04967	5.2
95.08611	33.1
97.06528	3.4
97.10156	3.2
98.20792	2.2
99.04405	1.4
99.08083	2.7
101.06039	1.9
101.75234	0.9
105.04513	2.3
105.07034	32.9
107.04951	2.6
107.08597	44.0
109.06553	5.9
109.10146	10.9
111.08082	1.7
115.05432	1.6
115.07568	2.0
117.07021	7.2
119.08582	30.3
121.06517	3.4
121.10143	31.6
123.08064	5.1
123.11695	3.6
125.09660	1.8
129.07018	5.9
129.17516	0.9
131.08546	9.9
133.06517	1.7
133.10129	24.0
135.08070	7.1
135.11687	20.4
137.09631	3.0
137.13272	1.9
143.08528	6.0
145.10117	7.8
147.08083	4.2
147.11687	22.3
149.09602	4.2
149.13266	19.0
151.11205	2.3
157.10136	5.0
159.11710	5.0
161.09656	6.5
161.10747	1.0
161.13264	17.5
163.11165	3.3
163.14825	16.7
165.12781	1.3
171.11662	10.0
173.13309	3.7
175.11194	6.1
175.14818	15.2
177.12729	2.9
177.16380	3.1
185.13261	6.4
189.12737	6.1
189.16426	1.2
193.12228	1.6
193.15800	1.1
199.14841	3.0
203.14343	2.8
207.13835	2.6
209.15234	1.7
213.16417	0.9
215.17995	2.9
217.15910	2.7
217.19525	19.5
221.15440	4.3
231.17384	3.3
231.21115	4.2
235.16898	2.7
241.19479	12.6
245.19066	1.2
249.18416	1.7
259.20572	24.5
263.19992	1.1
273.18530	7.5
291.19580	28.3
291.23169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03932	5.9
55.05518	19.7
65.03939	3.2
65.73746	1.3
67.05179	2.6
67.05507	39.4
69.07068	16.1
70.95474	2.7
70.95796	2.2
77.03910	1.5
79.05501	74.0
79.38227	1.5
81.07066	47.5
83.04957	1.6
83.08610	8.3
85.06520	3.0
91.05492	28.9
93.07050	100.0
95.04975	4.0
95.08060	2.8
95.08620	33.3
97.06529	1.9
97.10161	4.9
104.64535	1.7
105.04520	2.7
105.07027	18.3
107.08599	61.6
107.14864	1.6
109.06502	2.6
109.10167	16.2
110.68608	1.4
119.08606	16.2
121.10149	51.4
123.08035	2.4
123.11706	2.5
125.09612	2.4
129.07005	2.4
131.08539	4.7
133.10150	13.9
135.11696	62.9
136.46938	1.7
137.09641	2.7
137.13103	2.1
139.11122	2.5
145.10149	4.5
147.11726	10.3
149.09622	5.5
149.13272	42.2
159.11700	4.7
161.13304	7.7
163.11189	3.3
163.14856	12.1
171.11679	4.1
173.13297	4.4
175.11121	2.3
175.14839	5.0
177.12741	3.5
185.13295	4.5
199.14749	3.2
203.14305	2.7
209.15332	2.4
217.19737	2.1
221.15277	2.1
241.19502	6.6
249.18497	2.5
252.07051	1.7
259.20630	10.5
291.19971	3.6
291.23181	95.5
292.23184	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.02382	1.2
53.03934	4.8
55.01862	2.3
55.05518	16.6
57.07064	2.4
59.65529	1.1
65.03944	1.1
67.05507	37.4
69.07069	17.8
71.31872	2.9
79.05495	61.5
81.07060	50.3
83.04992	1.3
83.08624	9.6
85.06530	3.8
91.05482	29.1
93.07045	98.2
95.04951	5.9
95.08610	31.8
97.06504	2.8
97.10152	5.4
99.08076	1.7
105.04487	2.1
105.07042	23.9
107.04897	1.4
107.08598	58.8
109.06502	4.1
109.10156	14.5
117.07005	5.1
119.07811	1.6
119.08593	17.7
121.06467	1.6
121.10143	49.8
123.08054	3.8
123.11677	5.0
129.06995	4.3
131.08582	9.2
133.10139	16.6
135.08026	3.6
135.11691	55.6
137.09616	2.9
143.08543	2.6
145.10103	6.6
147.11700	14.4
149.09602	3.9
149.13269	34.5
151.11198	3.0
157.10147	4.5
159.11700	7.0
161.09575	2.4
161.13264	9.1
163.11156	4.0
163.14825	9.9
165.12767	2.0
171.11655	4.9
173.13292	4.5
175.11169	3.4
175.14827	6.4
177.12738	3.6
177.16362	1.7
185.13210	4.0
189.12769	3.4
191.14413	1.6
195.13805	1.5
199.14816	3.7
201.00581	1.4
203.14302	3.2
209.15349	2.0
213.16324	1.4
217.16077	1.6
217.19580	2.9
221.15378	2.9
231.17403	1.8
235.16933	2.3
235.19136	1.4
241.19540	9.0
248.40897	1.2
249.18575	3.8
259.20599	12.7
273.18506	2.1
273.22095	1.6
291.19644	11.1
291.23157	100.0
292.23239	1.5
310.00690	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03934	0.7
54.94982	0.2
55.01879	1.6
55.05513	6.8
57.03421	0.5
65.03964	0.3
67.05509	3.7
68.90575	0.2
69.03415	0.9
69.07070	2.5
69.40751	0.5
69.41151	1.1
69.41685	0.2
69.98019	0.2
71.04990	0.8
79.05495	5.9
81.03404	0.4
81.07056	5.2
83.04995	1.0
83.08625	2.8
87.04449	0.2
87.69659	0.2
91.05482	5.0
93.07051	5.0
94.04180	0.2
95.04967	2.0
95.08612	2.0
97.02880	0.4
97.06519	0.6
97.10176	2.4
103.05485	0.3
105.07035	4.9
107.04955	2.3
107.08596	2.8
108.05713	0.6
109.06514	0.7
109.10173	0.9
111.08072	0.3
115.05463	0.5
116.06252	0.4
117.07031	1.8
119.04957	1.1
119.08585	3.7
120.05743	0.6
121.06521	1.4
121.10141	1.6
123.08068	0.8
125.09612	1.1
128.06219	0.2
129.07008	0.9
130.07776	0.4
131.08549	2.1
133.06514	2.4
133.10118	1.0
134.07271	0.9
135.08049	0.8
135.11685	0.7
137.09621	0.5
142.07793	0.3
143.08569	1.3
145.06517	0.3
145.10136	1.9
147.08058	2.9
147.11716	0.7
149.09610	0.8
157.10121	0.7
159.11668	0.6
161.09612	1.2
161.13217	0.2
162.10365	1.3
163.11218	0.6
165.09149	0.4
169.12152	0.2
171.11696	0.5
175.11214	1.0
181.12207	0.2
185.13258	0.4
189.11194	0.3
205.12131	0.2
217.12024	0.2
223.13254	1.0
245.19101	0.3
249.14861	1.5
259.20508	0.3
261.14859	0.6
262.15714	0.3
263.16412	0.3
273.18524	2.5
291.19553	100.0
292.19843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.32917	0.2
53.03936	1.0
55.01880	1.6
55.05511	5.9
55.42600	0.2
57.03425	0.5
65.03921	0.2
67.05176	0.4
67.05505	4.7
69.03426	1.0
69.07070	3.1
69.07423	0.4
70.81418	0.2
70.81734	0.3
71.04975	0.7
79.05495	6.5
81.03418	0.5
81.07056	5.7
83.04988	1.0
83.08621	3.0
85.06547	0.4
85.71159	0.2
91.05482	5.3
93.06480	0.4
93.07044	6.8
94.04243	0.3
95.04972	3.8
95.08611	2.7
97.06530	0.5
97.10172	3.1
103.05489	0.3
105.03359	0.3
105.07037	5.3
106.98595	0.2
107.04964	2.5
107.08587	3.1
108.05737	0.3
108.19699	0.2
109.06503	0.7
109.10143	1.2
109.19674	0.2
111.08051	0.3
114.43030	0.2
115.05438	0.4
116.06213	0.5
117.07029	2.4
117.98141	0.2
119.04952	1.4
119.08591	4.8
120.05704	0.3
120.32971	0.2
120.65705	0.2
121.06495	2.0
121.10154	1.9
123.08076	1.6
125.09637	1.7
128.06226	0.3
129.07034	1.4
130.07796	0.6
131.08597	2.5
133.06483	3.1
133.10126	1.7
134.07277	1.2
135.08040	1.1
135.11696	1.1
137.09612	0.4
143.08577	0.9
145.06548	0.2
145.10112	2.8
147.08046	3.4
147.11662	1.0
149.09618	1.1
149.13268	0.7
155.08588	0.3
157.10138	0.8
159.08054	0.3
159.11671	0.7
161.09636	1.1
161.13226	0.7
162.10379	1.2
163.11172	1.0
163.14833	0.4
165.09099	0.5
169.12285	0.2
171.11642	0.3
173.13300	0.4
175.11224	1.0
175.14848	0.4
177.12779	0.3
185.13304	0.3
187.13379	0.2
189.11189	0.3
189.12732	0.3
203.14290	0.4
217.19528	0.3
223.13287	1.6
231.17557	0.2
241.19533	0.3
245.19167	0.4
249.14830	2.3
255.17442	0.4
259.20529	0.4
261.14810	0.5
262.15628	0.3
273.18515	3.4
291.19543	100.0
292.19940	0.5
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
53.03933	2.2
55.01857	3.0
55.05517	11.6
57.03423	2.3
58.07524	1.0
65.03931	5.4
67.05505	55.7
69.03434	1.8
69.07048	3.7
69.32801	1.0
69.91604	4.8
71.04987	1.1
79.05495	16.2
81.03402	1.3
81.07053	18.1
83.04981	1.4
83.08609	2.8
91.05481	17.3
93.07053	17.4
95.04968	100.0
95.08598	11.1
97.06515	4.0
97.10142	3.4
105.07027	15.6
107.04948	9.1
107.08593	8.6
109.06513	7.9
109.10166	2.5
111.08080	3.4
117.07003	3.3
119.08574	5.7
121.06503	9.1
121.10137	4.7
123.08050	3.0
123.11684	1.7
123.52399	1.1
125.09586	1.3
128.06201	1.5
129.06990	2.1
131.08572	12.5
133.06523	5.2
133.10135	3.4
135.08020	4.4
135.11691	5.9
137.05954	2.8
143.08562	9.8
145.06525	1.6
145.10121	8.3
147.08043	4.6
147.11656	3.0
149.09544	2.0
149.13216	2.1
157.10170	2.0
159.11658	2.4
161.09641	1.8
161.13216	1.4
163.11183	1.6
169.10083	1.9
171.11734	1.0
173.09601	1.4
177.12752	3.4
182.87480	0.9
187.11205	2.3
195.11719	1.6
205.12262	2.2
208.32483	1.0
227.17937	2.0
237.16299	2.0
245.18939	2.5
255.17438	1.3
273.18484	25.8
291.19556	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	291.1954
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03942	2.0
55.01873	18.0
55.05510	9.7
56.74552	0.5
57.03435	18.1
57.07068	0.4
58.42847	0.4
59.05008	0.5
59.12095	0.4
62.63945	0.4
63.72182	0.4
65.03939	1.9
67.05503	18.4
69.03417	1.9
69.07067	5.4
70.95075	0.9
70.95411	0.5
71.04991	1.7
72.71601	0.5
77.03923	0.6
79.05491	33.6
81.03416	1.6
81.07053	19.3
83.04985	2.7
83.08627	4.0
85.06531	3.5
91.05479	27.3
91.46041	0.4
93.07046	20.0
94.04124	0.6
95.04965	4.9
95.08607	10.6
97.06534	2.6
97.10162	2.1
99.04478	0.7
103.05473	1.1
105.04497	0.8
105.07031	17.0
107.04956	10.6
107.08593	25.8
109.06516	63.6
109.10124	3.5
110.07719	0.5
111.08087	1.4
113.06019	0.8
115.05410	2.2
115.48338	0.5
116.06242	1.3
117.07010	12.8
119.04920	0.7
119.06092	1.0
119.08582	9.6
121.06504	3.2
121.10140	4.9
123.08070	2.9
123.11705	0.9
125.09673	0.9
128.06221	2.1
129.07001	6.8
130.07841	1.3
131.08568	15.2
133.06500	3.4
133.10127	5.2
135.08051	100.0
135.11653	3.9
137.09625	0.9
139.07545	0.6
141.06992	0.9
142.07840	0.5
143.08546	6.8
145.10121	10.2
147.06895	0.7
147.08005	3.9
147.11700	2.4
149.09619	8.3
149.13261	1.2
151.11125	0.8
154.50978	0.5
155.08540	0.9
157.10114	7.1
159.08078	1.8
159.11658	5.7
161.09628	9.6
161.13214	1.3
163.11176	2.0
167.08556	0.7
169.10097	0.9
171.11647	3.7
173.09607	0.9
173.13245	2.8
175.11169	2.6
177.12701	2.2
181.10158	0.9
183.11673	1.8
185.09564	0.7
185.13278	1.9
187.14862	0.8
189.12766	1.2
189.16399	1.1
195.11710	2.2
195.13783	1.4
197.13257	0.7
199.11203	1.7
199.14819	5.1
201.12740	1.9
211.14806	0.5
213.12723	0.6
217.15865	22.5
219.13802	1.5
227.17944	2.0
237.16452	1.5
245.19052	3.2
255.17490	3.3
263.20102	0.6
273.15430	1.2
273.18472	29.0
291.19528	70.9
301.02914	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03941	0.6
53.10408	0.2
55.01867	2.1
55.05513	7.5
57.03422	0.5
59.04987	0.4
65.03915	0.4
67.04681	0.3
67.05504	4.3
68.32736	0.2
69.03407	0.9
69.07065	3.0
71.00571	0.5
71.04961	0.5
73.06569	0.2
74.18059	0.2
74.53602	0.2
79.05494	6.9
81.03404	0.5
81.07056	5.8
83.04993	1.4
83.08614	3.8
85.06561	0.3
91.05479	6.6
93.07047	5.9
94.50964	0.3
95.04967	2.5
95.08591	2.0
97.06519	0.6
97.10165	2.9
103.05490	0.4
105.03368	0.4
105.07022	6.0
107.04947	2.3
107.08595	3.3
109.06520	0.6
109.10149	0.8
111.08046	0.3
115.05431	0.5
116.06249	0.3
117.07002	3.0
119.04921	1.5
119.08578	5.4
120.05594	0.2
121.06524	1.5
121.10136	1.0
123.08070	0.9
125.09634	2.5
129.06978	1.7
130.07780	0.8
131.08571	3.5
133.06497	2.7
133.10100	0.9
134.07262	0.5
135.08017	1.3
135.11647	0.3
137.09618	0.4
143.08565	1.6
144.09387	0.3
145.10146	2.9
147.08041	3.9
147.11739	0.5
149.09595	1.1
151.07594	0.3
157.08904	0.3
157.10094	1.2
159.11697	1.0
161.09581	0.9
162.10425	1.0
163.11198	0.8
171.10196	0.4
171.11691	0.6
175.11205	0.8
177.12735	0.3
185.13190	0.3
189.11252	0.6
213.16701	0.3
223.13303	1.6
245.18901	0.3
249.14883	1.5
255.17419	0.7
262.15765	0.3
273.18497	5.2
291.19534	100.0
292.19910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03938	0.7
55.01881	2.5
55.05518	10.0
57.03419	1.2
59.05000	0.5
65.03934	0.5
67.05509	6.8
69.03418	1.2
69.07072	3.8
69.79994	1.4
69.80389	0.6
71.04977	1.0
73.33043	0.4
79.05499	8.9
81.03422	1.5
81.06583	0.5
81.07063	8.6
81.80709	0.3
83.04989	1.4
83.08620	4.6
85.06568	0.3
91.05486	8.7
93.07053	6.7
93.80698	0.3
94.04214	0.4
95.04981	4.0
95.08607	3.5
97.02907	0.4
97.06511	0.8
97.10176	5.2
99.89340	0.3
103.05468	0.5
105.04520	0.4
105.06385	0.5
105.07043	6.3
107.04967	4.1
107.08600	4.1
108.05724	0.3
109.06518	1.2
109.10172	1.7
111.08090	0.4
115.05428	0.4
116.06310	0.4
117.07024	4.3
119.04959	1.2
119.08592	7.9
120.05711	0.4
121.06525	2.6
121.10159	2.2
123.08062	1.4
123.11676	0.5
125.09647	3.8
128.06273	0.5
129.07008	2.2
130.07848	0.6
131.08578	4.8
133.06508	3.3
133.10133	1.8
134.07240	0.9
135.08066	1.9
135.11668	0.8
137.09605	0.9
141.07005	0.5
142.07730	0.6
143.08557	2.0
145.06429	0.4
145.10138	4.4
147.08063	5.5
147.11667	0.5
149.09656	1.5
151.07506	0.4
151.53864	0.3
155.08562	0.5
157.10132	1.5
159.08066	0.4
159.11685	1.2
161.09633	1.6
162.10388	1.1
163.11226	0.7
165.09099	0.7
171.10255	0.8
171.11752	0.9
174.18272	0.3
175.11194	0.7
181.10229	0.4
185.13193	0.6
189.11238	2.1
205.12360	0.4
207.13695	0.4
216.44090	0.4
223.13307	1.9
227.17865	0.6
237.16463	0.6
245.19070	0.4
249.14882	2.6
255.17488	0.9
261.14893	0.4
262.15829	0.5
273.18536	8.3
284.46173	0.3
291.19559	100.0
292.19980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.05515	4.9
57.03418	1.1
57.07064	3.3
59.04995	1.5
67.05515	5.1
69.03419	2.1
69.07054	2.1
70.17892	3.8
71.04985	3.9
79.05489	5.5
81.07065	7.2
83.05003	1.8
83.08605	3.5
85.06538	2.1
91.05452	5.1
93.07044	11.6
95.04949	3.7
95.08608	14.1
97.06551	5.1
105.07038	12.1
107.05002	6.0
107.08582	8.1
108.05740	1.3
109.06513	9.2
109.10146	3.8
111.08081	29.5
113.09627	1.8
116.95306	0.9
117.07034	1.8
119.08563	10.2
121.06522	1.8
121.10146	6.2
122.07249	1.8
123.08068	32.7
125.09594	1.5
129.07030	2.6
131.08582	7.6
133.06483	3.1
133.10112	7.7
135.08060	7.6
135.11699	3.1
137.09645	4.7
141.05457	1.0
142.07793	1.7
143.08554	3.7
144.09297	1.3
145.10123	15.1
147.08028	3.6
147.11705	7.0
149.09650	6.2
149.13214	0.9
151.07545	100.0
153.09088	1.1
155.10651	2.3
156.09343	1.9
157.10139	5.7
159.08031	1.9
159.11703	5.3
161.09666	4.8
161.13297	2.3
163.11203	4.3
166.57413	1.0
171.11636	4.5
173.09709	1.1
173.13258	6.0
174.10474	1.6
175.11182	3.9
177.09108	1.9
177.12747	2.2
179.10684	4.2
179.14294	1.0
185.13249	1.7
187.11209	3.2
187.14864	1.9
189.12756	24.7
191.14339	7.5
192.11459	4.8
197.11720	16.9
197.13332	3.7
199.11008	1.1
203.14372	2.6
205.12245	2.2
207.13803	64.6
213.16324	1.2
215.14345	6.4
217.12292	2.9
231.17484	3.2
233.15369	22.1
235.13281	1.6
255.17421	3.9
273.18524	11.7
291.19550	64.8
291.96735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03936	1.3
55.01866	1.0
55.05510	5.7
56.96558	1.7
57.03433	1.1
57.07057	1.2
59.04996	1.0
59.54912	0.5
64.39116	0.5
67.05506	4.5
69.03435	3.2
69.07069	8.2
69.78268	0.5
69.80656	1.9
71.04978	1.1
75.98501	0.5
79.05492	10.9
81.03413	1.0
81.07056	9.6
81.72934	0.4
83.04954	2.3
83.08631	3.2
85.02919	0.5
85.06554	1.4
91.05480	6.7
93.07048	22.9
95.04956	2.2
95.08610	8.5
97.06531	6.1
97.10146	0.8
98.21500	0.7
98.97598	5.8
103.05403	0.6
105.07033	10.8
107.04964	4.0
107.08599	11.4
109.06522	15.1
109.10163	3.1
110.97560	0.9
111.08073	1.4
111.11711	2.2
116.98629	1.0
117.07001	1.9
119.08583	6.1
121.06506	1.5
121.10150	37.4
123.08106	2.7
123.11687	1.5
124.99109	0.7
125.09623	3.8
128.06171	0.6
129.06999	1.6
131.00186	0.5
131.08578	3.5
133.06502	1.2
133.07510	0.6
133.10139	2.9
135.08063	6.5
135.11717	1.5
137.09644	2.6
139.11201	2.8
142.07739	0.6
143.00163	0.8
143.08557	1.8
145.10123	2.9
147.08043	2.0
147.11684	2.1
149.09634	11.4
149.13248	0.9
151.07559	1.6
153.05478	2.0
153.09138	0.5
155.10710	0.8
156.09349	0.7
157.10115	3.2
158.10950	0.5
158.99704	0.7
159.08084	1.1
159.11688	1.9
161.09639	1.6
161.13237	0.6
162.87216	0.5
163.11171	1.4
163.14844	0.7
165.09077	0.5
166.42056	0.5
167.10683	100.0
169.10077	0.8
171.11708	2.1
173.09619	1.9
173.13257	3.1
175.11206	2.5
180.24109	0.6
182.10936	1.1
185.13246	0.9
189.12761	1.2
191.10674	3.9
191.14316	3.7
195.11662	0.8
197.13264	2.2
199.11035	0.6
201.00682	0.6
211.14845	0.7
213.12770	0.5
213.16405	1.6
215.14288	2.4
217.12233	1.0
219.01787	0.9
227.18025	0.6
231.17499	1.0
233.15373	10.6
237.16447	0.9
244.99449	0.5
249.02940	0.6
249.11324	1.5
254.82678	0.6
255.17491	2.7
270.76755	0.5
273.18527	9.4
291.11902	1.1
291.19543	12.1
291.22940	1.2
291.26425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03936	1.7
55.01867	1.6
55.05511	9.7
57.07070	1.4
58.67225	0.7
59.04986	2.8
65.85928	0.9
67.05508	6.3
69.03411	2.5
69.07050	3.1
69.31667	3.6
69.32093	3.2
71.04987	2.7
79.05495	9.6
81.07059	9.5
83.04965	2.9
83.08624	9.3
85.02859	0.9
85.06527	1.7
87.68550	0.8
91.05481	5.1
93.07043	13.3
95.04960	5.8
95.08063	1.2
95.08613	16.7
97.06528	5.5
105.07025	10.2
107.04958	14.7
107.08598	9.2
109.06520	7.8
109.10136	3.3
111.08083	42.8
113.09599	1.9
115.14175	0.8
117.07010	2.7
119.08588	10.9
121.06509	3.9
121.10138	7.7
122.07311	1.9
123.08073	37.6
123.11687	0.9
125.05995	0.8
125.09583	2.2
129.07047	1.1
131.08554	6.7
132.23877	0.8
133.06483	4.0
133.10109	8.2
135.08051	6.8
135.11700	3.6
137.09613	3.5
141.05492	1.3
141.45517	0.9
143.08536	2.6
145.10115	5.9
147.08040	3.2
147.11699	6.0
149.09599	7.1
149.13173	1.0
151.07545	100.0
155.10640	3.5
156.09392	1.1
157.10156	5.0
159.08037	1.6
159.11748	1.4
161.09650	4.3
161.13293	1.0
163.11166	3.9
167.10706	1.1
169.10040	0.9
169.12206	1.7
171.11649	4.2
173.09689	1.0
173.13292	7.2
174.10338	1.7
175.11203	5.3
177.09100	1.9
179.10692	5.0
181.12253	2.2
182.11053	1.1
187.14774	1.3
189.12752	29.2
190.13403	0.9
191.10663	1.3
191.14302	14.8
192.11456	4.1
197.11723	19.1
197.13304	2.6
203.14320	0.8
205.12268	1.5
207.13803	71.2
211.13319	2.6
213.16353	1.9
215.14322	4.7
217.12254	4.9
231.17493	1.6
233.15366	52.9
235.13341	2.4
249.14737	1.2
249.18465	1.8
255.17456	2.3
273.18481	8.1
291.19543	92.4
292.12372	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.01870	2.3
55.05509	11.1
55.97344	0.9
56.69917	0.8
57.03437	2.2
57.07058	1.2
59.04992	2.9
59.40881	0.8
59.50060	1.0
65.03947	0.9
66.09353	0.9
67.05505	47.9
69.03426	2.8
69.07072	9.6
70.60815	2.0
70.61137	1.1
71.04996	5.4
73.02911	1.7
79.05495	9.4
81.03413	1.0
81.07059	100.0
83.05002	2.7
83.08617	3.5
84.04504	2.2
85.02926	1.3
85.04848	1.8
85.06547	8.1
87.00826	20.1
91.05467	9.3
93.07047	8.6
95.04967	3.7
95.08589	7.3
97.06540	15.2
97.10173	2.5
98.06879	5.2
98.97576	2.2
99.08080	1.5
105.01891	4.2
105.07034	11.1
107.08595	9.9
109.06521	5.0
109.10153	8.8
110.97560	1.1
111.08072	1.6
116.06328	1.1
116.98605	1.8
119.04931	1.7
119.08585	1.1
120.55179	1.0
121.10149	3.2
123.08092	1.0
123.11710	63.0
131.08577	2.7
132.08932	1.3
133.10129	18.2
135.08009	1.0
135.11761	2.3
137.05989	9.6
139.11220	1.1
141.12746	26.0
145.10049	1.4
146.06044	1.7
147.06802	5.8
147.11641	1.3
149.13347	2.1
151.11188	37.9
159.08125	2.2
159.13843	3.1
160.08458	2.2
163.14737	1.0
169.12230	8.4
174.09991	1.1
175.07564	2.1
176.07104	1.2
177.07802	2.2
177.09129	3.2
178.09422	5.1
182.11430	1.0
187.13312	12.1
188.07898	1.3
227.12807	4.1
230.12657	2.0
233.11737	8.0
250.14464	1.5
255.12245	2.5
273.13400	3.6
273.18570	1.8
274.15152	7.6
291.14670	9.2
291.17856	17.0
291.22684	1.2
291.26706	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	291.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
55.01872	6.7
55.05305	1.3
55.05515	17.2
56.96565	4.4
57.03433	8.6
57.07076	3.9
59.05011	1.4
60.00599	1.2
61.02924	4.6
62.19112	1.2
65.03938	2.2
67.05511	20.3
69.03419	5.7
69.07070	44.4
69.39152	1.6
70.73228	3.7
71.04984	5.1
79.05492	33.8
81.03409	2.0
81.07057	39.1
82.83902	1.3
83.04971	2.6
83.08618	6.3
85.02903	1.9
85.06525	6.0
85.67441	1.4
85.81628	1.1
85.86825	1.6
86.44531	1.3
87.08131	2.0
89.03916	6.3
91.05486	14.8
93.07045	21.9
93.49171	1.2
94.20905	1.2
95.04974	7.1
95.08609	32.8
97.06534	100.0
97.10152	4.6
98.97582	22.0
99.08107	2.2
103.05466	6.2
105.03407	2.6
105.04517	2.0
105.07040	14.3
107.04955	12.0
107.08596	20.3
109.06522	4.8
109.10164	18.0
110.97553	10.3
111.08085	5.3
111.11720	2.1
112.08858	2.9
115.05467	2.7
116.98597	8.2
117.03371	9.4
117.07024	4.6
119.04918	2.2
119.08585	11.2
121.06510	2.0
121.10136	14.3
123.00794	2.0
123.08094	3.1
123.11700	9.1
125.09692	2.8
125.13272	1.7
128.06181	2.8
128.98637	8.9
128.99435	1.3
129.07014	3.7
129.09142	3.1
131.04921	8.0
131.08594	8.3
133.02826	8.6
133.06451	1.3
133.10162	7.8
135.04414	13.6
135.08064	7.4
135.11702	9.0
137.09650	3.0
137.13255	5.8
139.11214	2.0
140.00095	1.5
143.00160	3.5
143.08531	2.0
145.02852	7.2
145.06522	2.6
145.10144	7.9
146.99667	2.4
147.04405	4.1
147.08023	3.2
147.11694	5.4
149.05963	2.2
149.09610	4.0
149.13234	11.4
151.03885	1.7
151.07574	1.9
152.00133	1.5
153.05487	6.7
157.06505	4.4
157.10167	3.7
158.99712	1.9
159.04445	10.5
159.08047	3.6
159.11691	3.3
161.01186	2.9
161.02354	35.0
161.09612	2.8
161.13269	4.8
163.02545	2.9
163.03914	60.2
163.14835	7.7
167.08568	2.0
169.01363	2.2
169.06494	1.5
169.10091	1.7
170.99690	6.8
171.04474	1.6
171.11726	1.7
173.02348	62.9
173.05826	1.8
173.13364	1.9
175.03906	2.3
175.11197	2.6
177.00745	1.9
177.05470	5.5
177.09074	1.9
177.16374	2.3
179.03395	6.2
182.99702	2.2
185.05986	8.0
185.13234	1.8
187.03940	4.0
187.07603	2.1
189.00705	4.8
189.11237	1.5
189.12782	2.0
189.16409	2.3
191.03401	67.9
191.14365	1.9
193.04938	2.6
193.19527	1.4
195.08092	2.1
197.06003	2.7
199.03868	2.0
199.07529	1.9
199.14854	1.6
201.00732	1.9
204.04253	2.2
205.04997	6.1
207.13795	1.7
213.05513	1.4
213.09108	3.3
215.07034	99.8
217.05046	8.4
217.15944	2.2
219.01764	1.8
219.06541	1.9
223.13557	1.3
229.08633	4.7
231.01732	4.0
231.06592	2.3
233.08078	58.2
233.15318	3.1
241.08589	14.7
249.02887	12.5
249.11214	10.9
255.17450	1.4
259.09665	66.7
273.11194	4.8
273.18576	10.1
273.21109	1.6
273.25833	3.3
289.83597	1.5
291.12531	11.0
291.15747	3.0
291.19632	23.3
291.23102	5.9
291.26651	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	291.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05510	1.0
56.96566	18.0
67.05499	1.0
68.96591	0.4
69.07076	1.3
69.32070	3.4
69.32484	1.0
71.95261	1.1
76.94048	0.4
79.05491	1.5
81.03421	0.6
81.07050	2.6
83.08591	0.5
84.96037	3.9
85.11781	0.5
91.05463	1.0
93.07042	1.9
93.80689	0.4
95.04996	0.6
95.08605	1.9
97.06525	1.4
97.10172	0.4
97.96844	0.5
98.97585	100.0
105.07036	1.2
107.04929	0.6
107.08577	1.1
109.06539	0.6
109.10155	1.0
110.97570	66.7
111.05568	0.4
112.99117	3.0
115.11121	0.4
116.98620	23.2
119.08588	1.2
121.10200	0.7
123.08070	0.4
123.11695	1.0
124.99104	6.1
126.97059	1.5
127.00718	0.8
128.98607	41.6
130.07706	0.5
131.00182	1.7
131.08556	0.9
133.10123	1.0
134.99658	3.7
135.08038	0.8
135.11653	0.6
136.98181	0.5
136.99051	2.2
140.00194	1.8
140.98633	2.3
143.00162	11.1
144.98102	1.7
145.10175	0.7
146.99657	9.1
147.11696	0.7
149.09637	0.5
149.13310	0.7
152.00221	2.8
152.98602	2.3
155.00153	5.7
158.01210	0.5
158.99663	5.3
161.01230	6.4
162.99115	0.7
165.00668	0.6
166.01718	0.7
170.01314	0.8
170.99655	35.1
173.01212	4.1
177.00699	2.5
177.09149	0.5
182.99646	7.7
189.00702	19.8
201.00699	5.7
207.01782	1.3
212.02327	2.5
213.00710	1.9
219.01758	0.9
230.99370	0.8
231.01764	27.4
249.02829	74.3
267.03864	6.1
272.04388	4.9
273.18475	1.9
282.83963	0.5
290.05576	0.7
291.03833	1.5
291.12866	1.4
291.16232	0.8
291.19400	2.9
291.26468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
54.15765	0.4
55.01871	1.0
55.05509	4.8
56.96565	17.1
57.03437	1.0
57.07061	1.2
64.17713	0.4
65.03935	0.6
67.05508	6.3
69.03429	1.0
69.06724	0.6
69.07072	8.0
69.29523	3.6
71.04990	0.8
71.08636	0.6
71.95268	0.9
74.67249	0.3
79.05495	7.1
81.03414	0.6
81.07059	21.2
83.04978	0.5
83.08619	2.7
84.96040	1.8
85.02894	0.4
85.06529	2.1
91.05472	4.3
93.06480	0.8
93.07048	11.5
95.04970	1.3
95.08611	14.2
97.06541	4.3
97.10178	2.2
98.20751	0.5
98.97586	100.0
99.04523	0.5
99.08099	1.3
105.07026	4.5
107.04937	1.1
107.07878	0.6
107.08598	10.4
109.02866	0.4
109.06520	1.6
109.10159	7.9
110.97568	3.0
111.08119	0.9
111.11710	0.8
112.99139	3.7
116.98622	28.7
117.07005	1.5
119.08572	5.4
121.06496	1.0
121.10156	7.2
122.97571	1.8
123.08058	1.1
123.11717	4.1
124.99118	8.1
124.99982	0.7
128.98622	1.7
129.07079	0.4
131.00197	2.2
131.08588	1.5
133.10115	3.1
134.99658	4.5
135.08052	0.8
135.11696	5.0
137.09610	0.6
137.13281	2.0
138.97040	1.4
139.19077	0.4
140.00204	2.6
140.36809	0.4
140.98593	5.0
143.00169	17.7
143.08569	0.6
145.10117	1.5
146.99652	0.5
147.08102	1.4
147.11720	1.9
149.01219	0.9
149.09647	0.9
149.13260	7.9
151.07578	0.5
151.14783	0.5
152.98611	0.7
153.05472	1.6
154.01814	0.5
156.98105	2.5
157.01804	0.4
157.10158	0.8
158.01297	0.6
158.99655	7.5
159.08022	0.6
159.11693	1.0
161.01219	14.0
161.09589	0.6
161.13269	1.5
163.11217	1.2
163.14816	4.6
165.12849	0.7
166.01811	1.2
170.99661	11.4
171.01076	0.9
171.11740	0.7
173.01239	1.4
173.13286	0.6
174.99171	1.8
175.11179	0.6
175.14862	0.5
177.00726	6.6
177.16420	1.4
179.02296	0.9
179.17915	0.5
182.01257	0.6
182.99651	11.5
184.02832	0.7
185.01210	0.9
185.13303	0.5
189.00714	13.9
189.16336	0.5
191.14417	0.5
191.17924	0.5
194.99762	0.7
195.01793	1.3
200.02409	0.5
201.00716	20.5
203.02338	0.5
207.01759	3.2
212.02303	1.8
213.00703	0.8
215.07083	0.4
217.15999	0.6
217.19579	1.7
219.01768	19.2
224.02312	0.9
231.01736	4.9
233.08173	0.6
233.15363	1.0
236.51547	0.4
237.02821	1.5
242.03386	1.3
249.02838	27.0
249.11128	2.0
255.17368	0.5
259.09799	0.5
267.03879	7.0
272.04489	3.1
273.18521	3.6
273.25732	2.2
291.03851	1.1
291.12573	0.7
291.16098	0.7
291.19580	7.1
291.23306	0.7
291.26770	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	291.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36476	0.4
53.03951	0.8
54.56200	0.4
55.01870	2.5
55.05513	5.5
56.96564	19.4
57.03442	2.2
57.07076	1.0
67.05506	8.1
69.03436	1.5
69.07071	6.0
69.38818	3.8
71.04989	1.3
71.95263	1.7
79.05492	10.4
81.03426	1.5
81.07054	12.2
83.04995	1.6
83.08615	2.7
84.96028	1.8
85.02902	0.9
85.06543	1.4
91.05479	6.7
91.83809	0.4
93.07046	8.3
95.04964	2.4
95.08611	8.5
97.02891	0.7
97.06533	9.2
97.10180	1.4
98.20729	0.5
98.97584	100.0
99.08109	0.8
103.05480	0.7
105.03416	0.8
105.07029	6.0
107.04971	2.6
107.08604	6.5
107.26980	0.4
109.02877	0.5
109.06504	5.1
109.10163	4.7
110.97568	3.5
111.04472	0.6
111.08074	1.6
111.11701	0.8
112.99142	3.2
115.05444	1.1
116.98621	36.4
117.07026	3.7
118.99011	0.7
119.00211	0.6
119.04946	0.5
119.07780	0.6
119.08589	6.1
121.06509	1.9
121.10159	4.3
122.97572	1.9
123.08079	1.9
123.11704	1.9
124.99126	6.5
125.09651	1.1
128.06223	0.6
128.98581	3.0
129.07007	2.0
131.00150	3.2
131.04951	0.9
131.08562	4.1
133.06537	1.2
133.10135	3.9
134.99664	8.8
135.04445	0.5
135.08051	4.5
135.11697	3.1
137.09619	1.2
137.13293	0.9
138.97028	0.9
140.00203	3.5
140.98589	5.2
143.00162	16.3
143.08553	1.9
145.10135	3.5
146.99643	2.0
147.08051	2.5
147.11679	2.5
149.01247	1.2
149.09601	3.2
149.13272	2.0
151.07559	1.0
151.11201	0.6
152.98650	0.7
153.05482	2.8
155.08580	0.5
156.98070	2.3
157.10159	1.9
158.01329	0.8
158.50815	0.4
158.99666	8.9
159.04521	0.4
159.07982	0.6
159.11668	2.4
161.01225	18.1
161.09615	2.3
161.13281	0.6
163.03926	2.2
163.11195	1.6
163.14864	1.1
165.09256	0.6
166.01778	1.5
169.10229	0.5
170.99661	11.9
171.11705	1.3
173.01207	1.6
173.02397	1.6
173.13297	1.2
174.99165	1.8
175.11166	1.1
177.00716	9.2
177.05399	0.6
177.09094	0.9
179.02162	2.3
182.99655	10.2
184.02835	1.4
185.01184	0.6
185.13223	0.5
187.11232	0.6
187.14772	0.5
189.00703	15.7
189.11234	0.5
191.03476	6.9
195.01807	1.5
197.13251	0.6
199.11198	0.7
199.14886	0.7
200.02321	0.9
201.00703	23.5
205.04997	1.0
207.01738	3.1
207.13797	0.5
212.02377	2.2
213.00705	1.1
213.16431	0.7
215.07063	2.7
215.10620	0.7
217.04956	1.8
217.15923	1.5
219.01768	21.2
224.02324	1.5
224.13678	0.5
231.01735	4.4
231.17444	0.7
233.08057	5.7
237.02852	1.4
241.08546	1.7
242.03343	2.3
245.19049	0.9
249.02827	27.4
249.11189	5.1
249.18713	0.5
255.17513	1.9
259.09665	8.2
267.03906	8.1
272.04456	3.8
273.07654	0.4
273.11203	0.9
273.18524	9.9
273.25754	0.8
290.05536	0.6
291.03976	0.7
291.09186	0.7
291.12332	2.2
291.16080	1.3
291.19547	19.0
291.26563	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	290.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.7
55.05500	3.4
56.05031	2.3
58.06584	1.0
60.04528	2.7
61.48874	0.9
62.06094	18.6
62.06804	0.8
67.05499	4.2
69.03425	1.6
69.07060	2.4
70.06588	5.5
71.00080	1.1
71.00398	1.4
71.05001	1.4
72.04522	9.8
72.08151	3.0
74.06076	1.7
79.05488	5.4
80.05034	1.8
81.03412	5.0
81.07061	6.7
82.06577	2.1
83.04978	2.5
83.08614	2.2
84.04526	3.8
84.08140	1.4
85.02899	1.1
86.06074	1.4
88.07644	4.0
91.05473	3.0
93.07037	4.7
94.06532	1.2
95.04971	1.0
95.08613	3.8
96.08119	1.1
97.06541	2.1
98.06068	3.8
98.97584	3.1
100.07637	4.5
105.07032	1.7
107.08611	2.9
109.06562	1.1
109.10169	0.9
111.08044	0.8
112.07619	1.7
114.05638	0.9
114.09172	2.0
116.07118	4.0
116.98602	1.1
120.08096	2.1
121.10136	2.5
123.08043	0.8
124.07580	1.7
125.09637	0.8
126.05494	1.6
126.09161	1.7
129.06984	1.4
131.08540	1.9
133.10178	1.3
137.05949	1.2
138.12766	2.0
147.11655	1.3
149.09633	2.3
157.10075	0.8
159.08052	1.0
159.11292	1.9
164.14388	1.0
173.59041	1.0
175.11212	1.4
180.13885	0.9
182.15411	3.0
192.13849	1.4
193.12231	4.1
208.16989	1.4
210.14897	26.8
211.13322	11.9
226.18030	2.6
228.15956	52.2
229.12276	1.4
236.16551	2.3
244.19102	2.4
246.17023	14.5
254.17548	7.7
272.18579	100.0
273.14740	1.9
290.14261	1.6
290.17490	3.3
290.20132	1.4
296.98669	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.1
56.96566	38.9
57.03418	4.6
61.02914	7.3
69.03416	7.9
70.98118	36.9
71.55086	5.6
71.76038	2.4
73.02898	6.2
81.03407	2.6
84.96045	4.2
85.02907	16.4
88.44027	2.4
88.99174	23.9
94.06574	3.1
95.13077	2.6
97.02890	10.3
98.97585	100.0
101.00870	10.5
102.00977	8.5
107.00186	4.5
109.02864	2.4
110.01295	3.3
110.97585	13.6
112.99138	2.9
113.00808	2.5
115.02435	3.2
116.98627	32.1
117.02116	2.6
119.01882	16.8
120.02011	14.5
124.99123	4.2
127.03901	7.0
128.98613	47.0
130.01746	3.0
131.00211	12.3
131.01869	5.0
131.07440	2.8
132.02222	2.7
133.03450	7.4
134.03595	6.0
134.99683	4.6
137.06049	2.9
140.98625	3.7
143.00163	4.8
145.03464	4.5
145.04929	4.2
146.02383	2.9
146.99644	66.1
149.01196	13.2
149.02867	2.5
149.83174	2.7
155.02800	6.3
158.99654	19.3
161.02892	6.8
162.03067	5.6
165.00722	28.2
170.99641	4.0
173.02960	6.1
174.99158	3.4
177.00740	14.5
182.03380	3.4
188.00986	7.6
188.93657	3.0
189.00691	52.1
191.03851	19.2
193.00218	2.7
197.01114	2.7
200.04420	45.8
200.54582	5.4
205.00107	3.7
207.01764	49.0
208.13800	3.3
209.04871	3.4
216.00464	6.4
218.01965	3.7
219.01797	8.0
225.02861	10.2
229.83328	2.6
237.02907	5.7
248.03101	9.3
249.02811	50.3
252.14090	2.5
263.77518	2.7
266.04276	3.6
267.03906	30.8
275.98053	3.0
290.05667	4.5
308.08972	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	289.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01871	5.1
55.05512	28.5
57.03436	18.7
57.07059	1.6
59.05002	1.6
65.03940	4.0
67.05505	38.8
69.03432	2.6
69.07072	13.3
69.84502	4.4
71.04984	2.1
73.06563	1.3
77.61783	0.9
78.43474	0.9
79.05495	34.0
81.03415	2.6
81.07056	39.0
83.04980	32.4
83.08609	7.1
85.06542	4.8
89.17209	0.9
91.05481	74.2
93.07040	32.8
95.04967	6.7
95.08050	1.6
95.08607	20.5
97.06534	4.3
97.10153	5.1
98.21429	1.4
99.04465	5.2
101.15985	0.9
103.05464	3.8
104.06253	1.7
105.07031	100.0
107.04285	1.8
107.04953	20.8
107.08582	16.9
109.06516	10.6
109.10166	6.6
111.04441	12.7
111.08081	4.0
113.06021	1.6
115.05444	1.3
116.06232	1.1
117.07016	20.3
118.07858	0.9
119.08578	51.2
121.06490	5.5
121.10146	9.0
123.04427	1.5
123.08060	3.5
123.11670	1.2
125.05993	6.1
125.09630	2.9
127.03947	1.3
128.06226	2.9
129.06999	6.9
130.07803	1.8
131.04918	1.3
131.08568	25.6
133.06493	7.7
133.10129	49.4
135.08035	10.2
135.11659	5.5
137.05978	2.4
137.09616	1.6
141.06950	4.7
142.07782	1.2
143.08568	7.8
144.05635	1.0
145.06482	3.7
145.10121	24.1
146.07310	1.0
147.08051	9.9
147.11685	22.5
149.05972	3.5
149.09637	4.5
149.13251	2.1
150.74200	1.1
151.07509	2.0
151.11244	1.3
155.08521	5.9
157.10114	6.2
159.08066	9.4
159.11681	16.1
160.08813	1.4
161.09612	9.1
161.13272	6.4
163.07581	4.0
163.11179	5.6
165.09087	1.1
169.10112	4.5
171.11688	6.3
173.09631	5.5
173.13277	7.9
175.11214	4.3
177.09073	2.7
177.12744	11.7
178.13567	1.5
179.10568	1.1
183.11717	3.4
185.09598	1.1
185.13278	2.5
187.11198	3.8
187.14841	4.1
189.12785	2.7
191.10580	1.1
197.13263	6.7
199.11206	2.7
201.12798	2.0
201.16518	1.0
205.15881	5.8
211.14799	1.3
215.14255	6.5
215.17990	1.9
225.16348	3.4
229.15878	1.3
233.15387	17.2
235.15013	1.4
239.17972	4.1
243.17374	5.7
253.15898	3.1
257.19012	9.7
260.92542	0.9
261.18475	19.3
271.16925	10.3
289.17999	77.0
289.21606	62.9
290.18420	1.2
302.62808	1.0
311.83466	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.216
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03935	1.0
55.01861	1.3
55.05267	1.2
55.05511	15.5
57.03430	0.8
59.04984	1.7
65.03940	1.4
67.05190	1.2
67.05508	16.1
69.07076	11.3
69.26218	5.0
69.26619	1.8
79.05489	17.1
81.07055	19.5
83.04990	1.3
83.08623	9.5
85.06532	2.9
91.05482	45.9
93.06488	1.0
93.07047	15.2
95.04978	2.3
95.08607	13.4
96.97703	0.7
97.06507	2.2
97.09695	0.6
97.10180	6.0
103.05450	1.3
105.07033	75.7
107.04956	1.0
107.08598	9.7
109.06510	2.0
109.10146	4.6
111.08061	0.9
115.05404	1.8
115.07603	1.1
117.07012	11.1
119.08583	42.3
121.06532	1.3
121.10100	3.2
123.08022	1.2
123.11731	1.2
125.09631	3.9
125.22507	0.8
129.06999	3.4
130.07742	1.2
131.08571	19.4
133.10130	45.5
135.08049	2.4
135.11673	2.8
140.83893	0.8
141.06995	1.9
143.08562	4.1
145.06522	1.4
145.10123	35.1
146.10814	0.9
147.08020	1.0
147.11688	36.2
149.13228	0.9
155.08582	2.2
157.10071	3.5
159.08028	3.0
159.11691	12.3
161.09534	1.1
161.13263	7.4
169.10081	2.6
171.11685	6.2
173.09657	1.0
173.13268	7.4
175.14793	1.3
183.11699	4.0
185.13281	2.7
187.14850	1.4
197.13245	3.1
201.12694	0.8
211.14874	1.2
213.16393	1.4
215.14340	1.9
215.17934	2.5
229.15819	1.5
229.19550	1.2
233.15178	0.7
239.17903	9.4
257.19009	27.3
266.13116	2.4
271.16867	1.3
282.19873	0.7
284.14267	2.2
289.18094	9.1
289.21591	100.0
289.28583	3.4
290.21985	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2163
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03934	2.0
55.01852	4.0
55.05270	1.8
55.05510	21.1
55.21479	1.1
56.96556	1.4
57.03446	8.1
59.04993	1.9
65.03915	1.3
67.05508	20.7
69.07074	15.8
69.20381	1.0
70.67317	2.6
70.67640	1.1
71.04977	1.7
73.06525	1.8
73.43012	0.9
79.05069	1.5
79.05494	21.7
81.03407	1.2
81.06589	1.7
81.07059	30.2
81.07541	2.4
83.04969	2.2
83.08620	13.5
85.06512	4.2
91.05483	54.1
93.06498	1.6
93.07050	18.9
95.04971	5.8
95.08611	19.4
97.06516	4.0
97.10146	4.8
103.05444	3.4
105.07033	77.5
105.33910	1.1
107.04918	2.7
107.07886	1.3
107.08601	16.1
109.06516	2.3
109.10161	6.4
111.08079	2.8
112.03879	1.0
117.07020	14.6
119.08586	55.7
121.06488	2.1
121.10145	7.1
123.08102	1.0
125.09587	3.1
127.03926	1.7
127.07574	1.2
127.91933	1.0
128.77788	1.0
129.06979	4.5
131.04932	1.3
131.08565	18.9
133.06468	1.9
133.10132	41.0
135.08028	2.4
135.11674	4.9
137.05904	1.4
141.07004	1.7
143.08577	5.7
145.10124	24.8
147.08058	2.7
147.11691	28.7
149.09587	4.5
155.08528	2.5
157.10127	9.6
159.08026	3.0
159.11699	22.8
161.09593	4.0
161.13266	10.0
163.11131	1.8
169.10133	3.6
171.11717	5.1
173.09602	1.9
173.13242	9.8
175.11124	2.3
175.14911	1.3
177.09233	1.3
183.11679	5.2
185.13290	3.0
187.11171	2.7
187.14908	1.9
189.12740	2.5
191.10542	1.4
197.13274	4.3
201.12784	1.7
207.13689	1.5
211.14803	2.4
213.16377	1.5
215.14333	5.5
215.17964	2.5
229.15948	1.6
229.19528	2.0
233.15343	1.5
239.17979	9.4
257.19019	19.4
261.18439	1.3
271.16946	6.4
271.19421	1.2
289.18015	16.3
289.21579	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2161
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
52.75220	0.8
53.03933	2.4
55.01864	0.9
55.05514	15.6
59.04988	1.4
67.05504	13.2
69.07071	8.4
70.16904	2.6
73.06541	1.3
79.05495	14.3
81.07060	17.5
83.08617	6.9
85.06532	1.5
91.05485	45.7
93.07053	13.3
95.04983	1.7
95.08607	9.9
97.06524	1.5
97.10160	4.9
103.05441	1.7
104.06191	0.9
105.07033	75.7
107.08607	8.1
109.06531	0.8
109.10136	3.8
111.08057	0.9
115.05485	0.9
117.07010	9.6
118.07760	0.9
119.08587	38.5
121.10126	3.0
123.08099	1.4
125.09630	4.0
129.07010	2.9
131.08574	13.9
133.10130	47.7
135.11700	2.9
137.09633	1.0
138.10562	0.7
143.08603	4.8
145.10130	33.2
147.11693	39.3
149.09627	0.9
155.08530	1.6
157.10114	2.6
159.11673	10.5
161.09639	1.1
161.13281	6.1
163.11237	1.3
169.10097	1.3
171.11722	6.3
173.13287	6.6
175.11177	1.5
175.14828	1.1
177.12651	0.8
181.99796	0.8
183.11797	3.9
185.13379	1.3
197.13264	4.0
211.14793	1.1
215.17949	1.3
229.15862	0.9
229.19472	1.5
234.71788	1.1
239.17966	9.7
257.19006	31.1
276.84256	0.8
281.21475	0.9
289.21625	100.0
290.22021	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
54.97062	0.9
55.01893	0.9
55.05265	1.3
55.05511	16.6
56.35093	1.0
56.59452	1.0
57.25050	0.9
58.72430	0.8
59.04980	1.6
65.03911	1.6
67.05511	16.4
69.07075	13.4
69.81113	5.3
73.06555	2.3
79.05486	14.2
81.07055	17.0
83.08622	8.2
85.06540	2.1
91.05480	39.9
93.07043	12.5
95.04961	1.4
95.08605	14.9
97.06522	1.1
97.10145	4.5
98.20814	1.3
99.48087	0.9
101.72419	1.0
105.07032	61.6
107.08601	9.2
109.06467	1.2
109.10142	6.4
111.08051	1.8
115.05412	1.0
117.07024	10.3
119.08581	45.9
121.10160	5.2
123.11651	1.3
125.09657	1.5
129.06960	2.0
131.08572	17.2
133.10135	34.5
135.08037	1.5
135.11655	2.5
141.06979	1.6
143.08553	2.9
145.10127	27.5
147.11681	33.3
149.09650	1.9
155.08612	1.2
157.10100	8.7
159.11693	22.3
161.09575	1.9
161.13261	12.1
163.11229	1.6
169.10101	3.6
171.11665	5.1
173.13271	11.0
175.11171	1.6
175.14833	1.4
183.11711	4.5
185.13181	1.3
187.11130	1.0
189.12776	2.2
197.13278	3.3
201.12822	1.9
202.12613	0.9
207.13776	1.3
211.14861	2.4
213.16429	1.4
215.17973	2.8
229.15894	2.0
229.19511	1.5
230.11084	1.0
239.17943	12.0
257.19003	23.0
289.21606	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.216
Annotation	Pipataline
Peak:m/z	Relative Intensity
51.81324	0.8
53.03942	1.7
53.60513	0.9
55.01862	1.3
55.05267	1.3
55.05513	18.2
57.03425	1.4
59.04985	1.7
65.03925	1.2
67.01307	0.8
67.05506	14.3
69.07063	6.6
70.06581	2.8
71.05009	1.0
73.06538	1.7
76.80173	0.9
79.05492	13.3
81.07056	17.3
83.04955	2.0
83.08626	8.7
85.06548	1.2
91.05477	38.2
93.07036	9.3
95.04952	1.2
95.08146	0.8
95.08623	8.5
97.06575	1.0
97.10165	8.7
98.20829	1.1
105.07030	78.1
106.83415	0.8
107.08599	8.5
109.10120	2.6
115.05406	1.0
117.07020	8.2
119.08581	33.4
121.10144	2.8
123.08022	1.7
125.09631	6.2
129.07021	1.5
131.08549	12.5
133.10126	43.6
135.11700	1.9
141.06950	1.3
143.08542	4.3
145.10127	42.0
147.11687	50.3
149.09586	1.2
155.08514	1.5
157.10130	3.8
158.22519	0.9
159.11708	8.8
161.09572	1.2
161.13258	4.2
163.11136	1.4
169.10175	2.0
171.11691	9.2
173.13251	4.5
175.11240	0.9
180.15843	0.8
183.11700	4.1
185.13255	1.9
197.13231	4.7
200.53300	0.9
211.14767	1.1
219.16263	0.9
239.17932	11.4
257.18991	52.0
261.18478	0.9
289.21606	100.0
290.21896	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.8
55.01854	3.2
55.05275	1.6
55.05513	18.0
56.96551	4.3
57.03416	1.1
57.07072	1.3
59.05005	1.8
64.77744	0.9
65.03953	1.4
67.05506	23.0
69.03437	1.5
69.06737	1.0
69.07075	16.4
69.23154	4.1
69.23575	5.7
71.05003	1.3
73.06561	1.5
76.10864	0.9
79.05059	1.4
79.05495	19.8
79.31322	1.0
81.03394	1.4
81.06585	1.5
81.07059	29.1
82.30673	1.0
83.04948	4.2
83.08623	9.8
85.06546	4.6
89.61044	1.0
91.05486	47.8
93.07050	19.4
95.04942	3.6
95.08611	18.1
97.06527	2.8
97.10168	3.2
99.08063	1.9
105.07036	63.0
107.04955	1.7
107.08606	8.9
109.06499	3.5
109.10187	6.6
111.08041	1.9
115.05461	1.2
117.07030	13.4
119.08588	48.3
120.66817	1.0
121.06502	1.2
121.10139	6.2
123.08031	1.2
123.11704	1.6
125.09583	3.0
127.03862	1.9
128.06229	1.2
129.06982	4.1
130.07793	1.1
131.08588	19.6
133.06454	1.2
133.10136	31.5
134.10419	1.0
135.08026	3.2
135.11670	3.5
137.09552	1.3
141.06972	2.3
142.07750	1.0
143.08577	4.0
145.10136	25.8
147.08018	1.3
147.11694	33.9
149.09628	1.6
149.13228	2.1
151.07536	2.0
151.11115	0.9
155.08536	3.0
157.10106	7.0
159.11702	27.6
161.09642	2.3
161.13290	14.7
163.07565	1.6
163.11165	2.3
169.10132	4.2
171.03325	1.3
171.11674	5.1
173.09656	1.3
173.13261	13.4
175.11220	3.1
175.14879	1.7
177.12688	1.2
183.11778	5.1
185.13164	1.5
187.11201	2.6
187.14790	2.6
189.12685	1.8
193.12280	1.8
197.13255	6.0
201.12738	1.6
211.14870	1.5
215.17917	2.8
225.07959	1.0
227.09503	0.9
229.15845	2.7
229.19388	1.8
239.17958	9.1
249.07915	1.1
250.82809	1.0
257.19019	23.1
261.18427	1.2
267.09027	8.9
269.10562	1.0
271.16739	1.4
275.20300	1.0
285.10098	13.6
289.18066	14.0
289.21588	100.0
289.29175	2.9
290.10577	1.2
290.21368	1.2
308.11420	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2161
Annotation	Pipataline
Peak:m/z	Relative Intensity
53.03940	1.2
53.54638	0.7
55.05510	12.5
59.05010	1.8
65.03947	0.9
67.05177	1.0
67.05508	13.4
69.07063	9.2
69.41327	2.2
69.41764	3.0
71.04987	0.9
73.06535	1.3
75.89698	0.7
79.05074	0.8
79.05498	14.3
81.07062	17.3
83.08631	4.3
85.06531	2.5
91.05482	42.7
93.07041	14.1
95.05006	1.3
95.08613	13.9
97.06558	1.1
97.10151	2.5
98.21478	1.3
99.08092	0.8
103.05482	1.4
105.07034	61.6
107.08593	10.9
109.06470	0.9
109.10156	4.7
115.05480	0.7
116.28388	0.7
117.07020	12.2
118.07858	0.6
119.08586	42.7
121.06534	0.7
121.10139	4.7
128.50682	0.7
129.06989	2.1
130.07799	0.9
131.08580	18.1
133.10135	41.7
135.08110	1.0
135.11690	2.3
137.09636	1.2
143.08549	3.8
145.10143	14.4
147.11697	22.2
155.08563	2.3
157.10141	4.3
159.11697	12.9
161.13264	10.3
163.11182	1.5
169.10135	3.2
171.11647	3.9
173.13269	10.6
175.11211	1.5
175.14825	1.8
183.11699	2.9
185.13281	1.7
187.11226	1.5
187.14743	1.2
197.13283	2.8
201.12756	2.0
211.14816	1.9
213.16370	1.8
215.14355	1.9
215.17947	2.8
229.15837	1.1
229.19539	1.2
239.17949	6.7
257.19003	10.7
289.21625	100.0
290.22092	1.5
297.25473	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2161
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03940	3.5
55.01865	3.4
55.05265	1.7
55.05509	23.5
56.96565	11.6
57.03418	4.5
57.07070	2.9
59.04997	3.0
65.03924	2.1
67.05505	34.9
69.03416	3.6
69.07069	19.5
70.06577	1.3
71.04959	1.9
71.57025	1.4
71.95267	2.2
73.06544	2.3
79.05063	2.1
79.05492	27.1
81.03398	1.7
81.07055	38.5
83.04975	4.3
83.08620	13.0
85.02885	1.4
85.06540	5.8
88.07606	2.8
89.07962	1.4
91.05480	50.5
93.07048	24.3
95.04965	8.4
95.08607	28.6
95.09166	0.9
97.06512	4.4
97.10152	5.6
99.08099	1.4
101.06036	1.5
103.05470	2.5
105.07030	80.9
106.08662	2.3
107.04936	3.6
107.08593	18.6
109.06519	6.0
109.10149	10.6
111.08067	2.4
115.05426	2.6
117.07011	19.8
119.08580	61.7
121.06476	4.4
121.10146	10.1
123.08040	3.3
123.11713	2.8
125.05943	1.2
125.09612	3.9
127.03909	4.4
128.98576	2.1
129.06990	6.4
130.07791	1.4
131.08571	23.8
133.00594	1.3
133.06497	1.9
133.10136	43.1
135.08083	7.0
135.11668	4.0
137.06024	1.9
137.09625	2.2
138.05522	5.7
139.11249	1.4
141.06963	1.9
142.07774	1.7
143.08548	5.3
145.06447	2.7
145.10121	32.1
147.08037	3.5
147.11687	36.1
149.09619	5.7
149.13277	2.9
151.11160	3.1
154.07735	1.4
155.08501	4.4
157.10121	8.7
159.08054	13.6
159.11702	27.7
161.09589	4.0
161.13235	13.1
163.07579	1.7
163.11200	3.1
167.03758	1.8
169.10106	4.5
171.03294	2.5
171.11719	6.9
173.09575	2.5
173.13281	12.5
175.11200	2.5
175.14929	1.8
177.09135	3.0
177.12723	1.9
181.10123	1.6
181.12294	1.4
183.11731	6.1
185.04820	3.2
185.13263	4.1
187.11169	2.5
187.14786	1.8
189.04274	2.7
189.12791	2.1
191.10576	1.2
193.12170	2.1
196.12488	3.0
197.13295	3.2
199.06485	1.5
201.12839	1.5
203.05945	3.3
211.14883	5.9
215.14311	1.4
215.17883	2.9
217.12318	1.2
225.08073	1.5
225.13319	1.5
229.15942	8.7
229.19487	2.5
233.15359	3.0
239.17902	9.9
243.08960	1.6
243.14461	1.9
243.17281	1.6
247.16917	3.8
249.08057	3.2
253.15932	2.4
255.09045	2.1
257.19003	23.1
261.18604	1.3
267.09015	26.6
268.09296	1.7
271.16922	9.8
271.19638	2.0
271.28427	2.0
275.19965	2.9
285.10083	32.9
286.10312	2.0
289.17996	34.7
289.21582	100.0
289.29227	18.2
290.10504	2.2
290.22058	1.9
303.11145	1.7
307.12231	1.4
308.11630	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	289.1798
Annotation	16-Epiestriol
Peak:m/z	Relative Intensity
53.03935	3.3
55.01867	7.3
55.05264	1.3
55.05512	21.4
57.03436	24.5
57.07075	1.3
59.05000	0.7
65.03939	2.0
67.05504	31.3
69.03420	2.8
69.07065	14.1
69.49803	0.7
69.82323	1.4
69.82717	2.4
71.05000	1.5
73.06541	1.5
79.05492	28.4
81.03406	2.6
81.07058	29.8
83.04980	34.5
83.08610	7.3
85.06565	3.8
87.70419	0.7
91.05478	45.3
93.07045	27.6
93.07633	1.4
95.04964	7.4
95.08604	21.1
97.05943	0.9
97.06500	4.7
97.10151	2.1
99.04452	7.5
103.05463	3.1
105.04530	1.7
105.07031	49.0
107.04953	21.9
107.07888	0.8
107.08597	16.0
109.06519	13.7
109.10139	7.1
111.04443	13.0
111.05122	1.4
111.08098	2.8
113.02573	0.8
113.05988	1.4
115.05450	3.4
115.07542	0.9
117.07010	17.6
119.04917	1.5
119.08579	34.1
121.06532	6.5
121.10151	7.6
123.04426	1.1
123.08096	4.0
123.11711	1.2
125.05995	8.0
127.07555	0.8
128.06224	3.1
129.07007	9.7
130.07774	1.2
131.04971	1.6
131.08569	21.5
132.09422	1.0
133.06506	9.9
133.10130	25.0
135.08057	11.4
135.11679	6.3
137.05956	3.1
137.09589	2.8
141.06964	4.8
143.08554	7.6
145.06490	3.6
145.10133	20.3
146.07315	1.4
147.08047	12.2
147.11679	13.8
149.05988	5.2
149.09616	5.7
149.13263	3.4
151.07556	3.7
153.06912	1.0
155.08539	5.2
157.10110	5.7
159.08061	10.2
159.11694	15.6
160.08849	1.3
161.09615	10.9
161.13275	6.5
163.07553	2.6
163.11221	6.3
165.09146	1.3
169.10127	6.4
171.11662	8.7
173.09631	6.0
173.13254	13.7
175.07558	1.3
175.11136	4.7
175.14876	1.9
177.09091	3.2
177.12755	11.7
178.13553	1.4
183.11731	4.2
185.09676	1.0
185.13274	1.5
187.11217	3.6
187.14894	4.5
189.12744	3.7
191.10614	1.3
193.12218	0.9
197.13232	5.8
199.11122	2.3
199.14787	0.8
201.09045	1.2
201.12770	1.8
205.12251	0.9
205.15837	6.0
211.11310	0.8
211.14816	1.4
213.16440	1.8
215.14349	6.0
215.17926	5.4
217.12279	2.7
225.16371	2.7
229.15852	1.6
229.19461	0.9
233.15373	20.5
233.18979	1.3
239.17879	4.1
243.17444	7.2
253.15894	3.9
257.18988	8.9
261.18481	21.1
271.16901	16.0
289.17969	100.0
289.21585	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	289.0917
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03940	0.8
55.01863	0.9
55.05507	0.7
56.96558	4.9
57.03443	1.1
59.04997	1.0
61.02918	1.9
67.05521	0.6
69.03426	3.3
69.07061	0.7
70.06576	2.2
70.10313	0.5
70.10661	2.1
70.85501	0.5
70.98118	0.9
71.04990	1.1
71.06930	0.8
71.95230	0.5
72.08156	1.3
73.02919	0.8
79.05492	0.9
81.03412	2.3
81.07050	0.9
82.76836	0.5
84.08128	1.1
84.96005	0.6
85.02908	7.7
85.06552	0.8
85.18919	0.6
86.09710	0.8
87.04469	1.4
88.99172	0.5
91.03944	0.6
91.05462	0.8
93.07039	0.7
95.08649	0.5
97.02914	3.9
97.06523	0.6
98.97572	2.7
99.04471	1.0
100.11147	0.5
105.07046	0.9
109.02875	1.7
110.97561	0.7
116.98611	1.8
119.01881	1.4
121.10104	0.5
123.05612	0.5
127.03916	100.0
128.98589	1.5
133.10136	0.6
134.99574	0.6
137.06003	1.6
145.04968	1.7
146.99615	1.3
151.00623	0.5
158.99684	1.2
161.02992	0.8
165.00758	0.9
171.13831	0.5
173.09712	0.6
175.04417	0.5
183.02202	0.5
198.99135	0.6
211.02936	0.6
219.01773	1.0
223.01175	0.8
229.03761	0.5
237.02876	1.0
242.98123	0.6
243.01883	1.1
260.99054	0.7
261.02802	1.4
271.16641	1.0
289.08810	3.3
289.12558	29.0
289.17764	1.6
289.21136	1.2
310.54083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51311	1.4
54.60369	1.3
56.96569	13.0
69.03432	3.9
69.79736	1.3
70.06584	5.8
70.10458	6.8
70.98129	1.8
70.99854	1.5
71.06907	1.6
71.95244	1.6
73.13331	1.4
73.35916	1.2
81.04539	1.8
82.99808	9.4
84.08150	2.9
84.96012	1.9
85.02921	4.5
88.04006	1.5
88.13789	1.5
89.00888	1.6
91.05492	2.0
97.01403	1.7
97.02905	3.7
98.20799	2.2
98.54460	1.5
98.96928	2.8
98.97585	48.6
101.00888	68.0
103.02476	1.8
110.97581	3.8
113.00879	7.2
115.02444	16.0
116.98637	15.4
119.01926	100.0
125.07142	1.4
127.03986	1.8
127.08697	2.1
128.98624	3.7
129.00299	3.5
129.03976	3.2
130.93285	2.0
131.00145	1.4
131.01910	24.8
133.03479	42.9
134.99660	4.1
137.02965	12.5
143.01901	18.3
144.99858	2.2
145.03479	7.0
146.99603	1.7
147.01393	12.5
147.05110	2.5
149.02913	3.3
151.04533	6.1
153.00327	2.1
155.01898	1.9
156.99901	2.0
157.03500	9.3
158.99599	3.6
159.01445	3.9
161.02966	42.6
168.99832	13.0
171.01404	24.0
172.94366	14.3
173.02982	15.9
175.00882	6.0
175.04488	3.4
177.02490	2.2
179.04004	1.5
180.99812	2.3
182.53525	1.4
185.02962	12.0
187.00911	29.0
187.04550	3.0
189.00876	1.9
189.02455	21.7
189.83296	1.5
190.95422	8.9
191.03989	12.9
199.00870	34.3
199.04634	1.5
201.02472	8.7
203.04025	5.4
205.01970	6.6
205.03807	2.1
207.03526	6.0
208.96402	2.2
214.95367	1.7
215.00381	9.3
216.97011	6.6
217.01950	55.1
217.05342	3.2
219.01846	2.6
219.03581	15.6
227.04074	1.9
229.02144	8.6
231.03490	3.9
232.96594	4.2
233.01521	2.2
235.02969	8.1
237.02838	1.8
246.97992	8.2
247.03038	22.8
256.96588	3.3
257.15005	1.9
259.02902	1.8
261.02582	1.6
264.99133	5.2
265.04099	13.1
269.15964	1.5
274.97546	20.6
277.04004	2.0
288.95886	1.6
288.99023	6.4
289.04034	52.5
289.06989	19.2
289.11533	1.8
289.17667	3.8
289.20459	3.4
292.98608	12.3
294.74811	1.6
307.00278	3.5
307.05145	39.0
307.08572	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	289.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09188	1.6
53.58248	1.4
56.96554	4.4
57.03421	1.9
57.44904	1.5
58.99870	1.9
61.02915	3.0
69.03415	5.5
70.99854	2.4
71.00401	3.9
73.02914	2.5
81.03411	2.2
82.99844	5.3
83.92505	1.5
84.08109	2.2
85.02908	11.2
86.99332	1.8
94.06596	1.3
97.01386	6.8
97.02839	4.6
98.97590	12.7
101.00885	66.7
102.00896	1.6
109.02864	1.8
109.07604	2.3
110.97544	3.5
113.00885	8.9
115.02448	22.8
116.98627	4.3
117.03993	1.9
119.01928	100.0
125.07163	1.6
126.98759	3.1
127.03891	6.4
127.04843	1.9
127.08667	5.8
129.04004	8.3
131.01909	20.7
133.03479	27.7
133.60645	1.4
137.03001	11.0
142.03456	2.2
143.01897	17.8
144.99825	4.5
145.01703	1.9
145.03436	7.5
147.05008	6.8
149.03012	2.3
151.04521	1.8
155.01854	5.1
157.03453	4.6
161.02965	40.0
163.02686	2.4
168.99844	12.4
169.01086	2.4
169.03506	1.6
170.99760	1.9
171.01294	7.3
172.94373	2.7
173.03009	13.5
174.04553	1.8
175.00764	1.8
175.04468	4.0
177.02449	1.7
179.03946	2.1
183.01521	1.5
183.04999	2.3
185.02945	4.4
187.00890	31.6
187.04498	7.9
189.02441	10.8
190.95384	2.3
191.04005	10.1
196.99312	6.4
199.00861	7.1
199.04456	3.5
201.02449	3.9
203.03967	2.6
204.04108	1.7
205.01984	7.9
207.03513	2.4
207.39221	2.0
207.55367	2.3
215.00392	42.7
215.03806	1.7
217.01947	16.2
218.02344	1.6
219.03499	5.5
221.05061	3.4
229.01923	12.1
229.05594	3.5
230.05351	2.0
231.03548	2.1
233.01373	4.4
247.02997	39.1
265.04074	9.6
274.97601	2.5
277.03809	2.0
289.03888	10.3
289.07080	36.7
289.17599	3.3
307.04965	5.0
307.08646	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	288.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96532	0.6
67.35310	0.5
69.03432	0.8
69.98161	2.3
70.06596	4.2
72.08145	1.6
79.05479	1.7
84.08151	1.2
85.02896	0.7
86.09714	0.8
91.05480	2.9
97.85918	0.6
98.97623	0.7
102.20313	0.6
107.04964	5.3
112.07589	0.5
119.04958	0.6
121.01087	4.1
121.06509	1.4
123.02649	12.3
131.04936	1.0
135.02631	0.9
135.04430	9.2
136.05211	0.8
137.05989	4.5
138.01286	1.1
139.02112	0.8
147.02631	4.6
149.00580	11.7
149.05966	1.4
150.01326	1.8
150.06758	4.0
151.02135	17.5
152.08279	0.7
153.03685	1.2
155.05225	0.6
159.04495	1.1
163.02118	1.2
165.03700	2.5
165.07860	3.2
166.00841	0.8
166.03215	5.2
167.01633	24.8
168.02429	7.0
174.06734	1.6
175.02130	5.9
175.11835	0.7
177.03691	0.7
179.05174	0.7
180.02382	0.6
181.03195	15.4
182.03969	100.0
183.04762	14.4
192.02432	2.1
193.03169	2.3
197.06332	5.8
198.05865	1.8
198.52014	0.6
207.04764	11.9
224.07384	1.2
225.05882	5.1
234.93152	0.6
235.04160	0.6
242.08488	1.0
253.05272	1.7
260.25073	0.6
270.07886	0.7
270.34430	0.6
271.06360	68.4
288.09009	74.1
288.20200	1.2
289.12537	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2005
Annotation	1-Methylestra-1,3,5(10)-triene-3,17beta-diol
Peak:m/z	Relative Intensity
55.05504	5.3
67.05494	11.7
69.07074	28.6
71.04969	3.0
71.53790	2.5
71.56644	2.3
79.05479	5.1
81.07045	14.1
91.05508	4.6
93.07006	6.3
95.04974	4.0
95.08608	11.7
97.00571	4.0
97.06542	4.3
99.08053	3.8
105.07022	12.4
107.08596	10.8
109.06502	3.6
109.10170	21.3
111.04455	4.1
111.08083	4.4
113.05989	8.0
117.07059	3.1
118.24193	2.5
119.08583	27.7
121.10155	9.8
123.11709	16.0
125.06011	4.9
129.07008	3.5
131.08580	9.8
133.10144	18.6
135.08073	3.5
143.08617	8.1
145.10149	18.4
147.08035	4.5
147.11691	10.4
149.09619	5.3
153.01817	4.2
156.09317	4.0
157.10115	8.0
159.08124	2.8
159.11696	14.0
161.09576	4.7
161.13220	14.2
163.11194	5.6
169.51303	2.7
171.11681	3.5
173.13274	7.3
175.11339	2.9
175.14845	21.6
177.06792	6.5
181.68037	3.4
185.13205	6.2
187.14818	4.7
188.15479	3.0
189.16405	6.2
191.10710	5.7
199.14828	2.8
201.16400	13.8
205.12250	3.3
211.14793	3.0
211.75171	2.8
213.16316	4.6
217.12196	4.8
225.16670	3.1
231.13870	5.7
241.19574	7.2
245.19145	3.6
259.20584	3.2
266.22510	2.5
269.19031	10.4
277.58209	2.5
287.05527	15.9
287.20093	100.0
305.28726	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	287.2006
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
53.03939	3.4
53.20823	1.3
53.21650	1.2
55.01882	1.3
55.05503	10.0
56.96306	1.8
56.96561	10.8
57.03434	1.8
57.07079	8.0
58.07413	2.7
59.04984	4.7
59.16441	1.5
65.03935	2.8
67.05505	15.9
68.74135	1.3
69.03419	6.6
69.07063	14.5
69.60865	8.2
71.04993	2.6
71.08631	3.2
77.03905	2.0
79.05494	24.8
79.64023	1.4
81.03417	3.6
81.07059	24.0
83.04993	7.1
83.05395	1.3
83.08602	4.6
85.06536	2.4
91.04901	1.6
91.05475	29.4
93.07041	34.2
95.04974	18.2
95.08605	18.9
97.06533	10.3
105.07033	30.6
107.04929	3.7
107.08586	27.0
109.06530	10.9
109.10180	9.3
111.02146	1.3
111.08080	2.6
115.05425	1.5
116.06249	2.1
117.07012	14.4
119.08584	26.1
121.06493	5.3
121.10134	28.1
123.08065	3.8
123.11708	3.4
125.09560	1.7
128.06212	4.2
129.06999	11.6
130.07791	3.3
131.08572	31.4
133.10127	31.6
135.08040	5.9
135.11691	3.8
137.09592	2.2
141.07004	3.1
142.07765	6.1
143.08565	17.1
144.09337	4.9
145.10129	23.7
147.08032	5.7
147.11696	15.3
149.09619	26.0
149.13275	2.4
151.11183	4.3
153.07088	2.3
155.08563	4.4
156.09331	5.7
157.10132	30.1
158.10886	5.1
159.07997	2.3
159.11703	22.0
160.12401	1.8
161.09619	5.9
161.13309	4.7
163.11107	2.0
165.07042	2.4
165.12764	2.1
169.10120	6.2
170.10895	5.4
171.11705	19.8
172.12369	3.2
173.09618	3.2
173.13252	23.4
174.18509	2.0
175.11201	10.4
175.14818	2.9
175.18851	2.7
177.12868	1.6
180.09271	2.6
181.10056	3.2
183.11685	4.5
184.12471	1.5
185.04871	2.1
185.09601	2.5
185.13248	15.6
186.13985	4.2
187.11156	7.3
187.14775	8.4
189.12701	8.3
191.14314	8.9
193.12227	4.8
194.11072	1.9
195.11630	7.6
197.09721	1.6
197.13329	2.3
198.10446	3.0
199.11157	4.0
199.14810	5.2
201.12733	1.7
201.16412	2.3
203.05821	1.3
203.14342	7.2
209.13248	3.9
211.14821	6.6
213.07959	2.4
213.12755	17.0
213.16301	3.8
217.07529	1.9
225.07933	2.2
225.16304	2.3
227.14270	5.5
227.17899	3.2
229.15921	4.5
231.09044	3.0
231.13741	8.6
231.25105	2.5
237.16136	2.2
241.15918	2.2
241.19479	6.9
243.17439	1.8
251.09605	1.8
251.18004	3.6
255.09077	4.2
267.09030	5.5
269.10730	11.0
269.19016	46.5
273.10016	3.3
285.10248	7.5
287.05518	9.5
287.08478	1.5
287.11688	3.7
287.20056	100.0
287.31357	57.4
292.12271	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2006
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
51.49966	1.0
53.03925	1.3
55.05511	9.1
56.96542	5.0
57.03400	1.1
57.07061	3.5
59.04984	3.2
63.60772	0.9
66.53561	1.0
67.04046	1.3
67.05502	18.2
69.03414	3.9
69.07065	13.1
69.34023	2.3
69.34430	8.5
71.04987	2.1
72.60361	1.1
79.05492	14.1
81.07049	20.9
83.04963	3.8
83.08604	5.4
85.06518	5.3
86.09673	1.3
86.41959	1.1
91.05475	18.6
91.84379	1.1
93.07038	18.5
95.04961	17.6
95.08603	20.5
97.06546	8.5
98.97549	4.5
102.96833	1.3
103.05460	1.8
105.07035	27.4
107.04932	1.5
107.07875	1.7
107.08591	24.0
109.06518	7.3
109.10159	10.9
109.67530	1.2
110.96381	1.1
111.04401	1.9
111.08073	2.1
112.99069	1.8
115.05444	3.0
116.98565	1.3
117.07015	15.3
119.08585	25.4
121.06482	2.4
121.10140	23.0
123.08043	5.3
123.11720	3.5
125.09642	1.6
128.06206	2.8
129.07011	10.2
130.07771	3.3
131.08568	33.6
133.06500	2.6
133.10127	16.4
134.10938	2.0
135.04408	1.4
135.08055	5.1
135.11691	3.8
137.05952	1.5
137.09613	3.3
139.11163	1.5
141.06985	2.8
142.07770	7.4
143.08554	18.3
144.09331	3.8
145.10126	30.5
147.08022	4.0
147.11731	8.5
149.09579	6.7
149.13252	1.4
151.11223	1.6
155.08524	5.5
156.09369	7.4
157.10152	22.4
158.10909	7.7
158.99617	3.8
159.08032	2.3
159.11697	22.8
160.08786	1.5
160.12454	1.7
161.09630	6.2
161.13228	4.3
163.11177	1.8
165.07002	4.1
167.08575	1.7
169.10153	7.4
170.10968	6.1
171.08047	2.3
171.11693	24.7
172.12457	2.8
173.09630	3.2
173.13275	24.5
175.11151	4.8
175.14760	2.0
177.00706	2.4
177.12727	2.2
179.08553	1.3
180.09323	1.9
181.10120	3.4
183.11674	5.1
184.12407	2.2
185.09637	2.1
185.13239	16.0
186.13986	3.3
187.11186	5.9
187.14854	7.7
189.12756	6.4
191.14252	3.3
195.11647	9.6
197.13222	2.6
198.10414	2.8
199.11157	4.4
199.14807	4.3
201.12779	2.4
203.14301	6.5
205.15836	1.6
206.10869	1.7
207.11725	1.5
209.13211	3.5
211.14793	7.3
213.12764	16.0
213.16341	5.7
221.13211	1.5
225.16383	2.3
227.14406	6.6
227.17902	3.2
229.15874	4.2
231.13802	9.6
236.15567	1.5
237.16400	3.6
241.15898	1.6
241.19519	6.8
243.17307	1.7
245.15340	3.3
251.17923	3.6
255.17447	3.3
259.20682	1.3
266.62061	1.3
269.19009	44.7
286.63806	3.7
287.05557	15.2
287.08533	2.0
287.13110	8.5
287.16498	9.3
287.20020	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.11
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15741	0.4
56.96564	1.9
57.03432	0.5
61.02923	0.9
67.05502	0.6
69.03429	1.2
70.02943	0.5
70.06586	1.5
70.08585	0.4
70.39034	0.6
70.39429	1.0
71.04984	0.4
71.06908	0.5
81.03412	0.6
84.96931	0.4
85.02898	2.1
85.06569	0.6
88.03990	3.3
91.05471	2.3
97.02879	0.5
98.21417	0.5
98.97603	3.0
98.98166	0.5
101.00877	0.5
106.06535	0.5
107.04953	1.6
107.06881	1.0
109.02849	0.6
110.97507	0.5
112.07666	0.9
116.98599	0.6
119.01842	1.4
119.04929	1.6
120.05727	1.8
124.03963	2.2
124.07565	0.9
125.00604	1.0
125.04317	2.4
125.07133	1.0
125.07931	0.4
127.02369	0.4
127.03941	0.9
128.98637	0.4
131.01958	0.5
135.02715	0.6
135.04427	1.5
137.05984	0.8
138.03722	0.7
145.03497	0.5
146.99622	0.5
147.02617	0.9
150.05528	3.2
151.02159	2.5
153.03687	2.9
155.01804	0.5
158.99640	0.4
161.02916	0.5
163.02148	0.4
165.07872	19.5
166.03229	32.2
172.94394	0.8
175.02222	0.9
177.00691	0.4
181.03192	3.9
186.29073	0.5
188.03404	0.5
192.02449	1.2
198.05840	6.8
207.04773	6.2
209.06348	1.2
219.01801	0.5
221.05063	1.7
224.07434	1.5
226.08990	0.6
232.96523	0.7
242.08490	1.8
253.05215	2.7
270.07944	7.7
287.10965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0541
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.02388	0.0
52.83872	0.0
53.03939	0.0
55.01873	0.0
67.01862	1.4
67.05490	0.1
68.99461	0.0
68.99783	1.1
69.03419	0.1
69.51161	0.1
69.51570	0.1
78.32916	0.0
79.05491	0.3
81.03419	0.1
81.07051	0.0
85.02876	0.0
87.65218	0.0
89.03916	0.5
91.05464	0.0
95.04985	0.1
97.02875	0.1
103.05443	0.1
107.04957	0.3
107.24758	0.0
109.02882	0.1
111.00779	0.2
111.04431	0.1
115.05494	0.1
117.03376	0.7
119.04903	0.0
125.02362	0.1
127.03937	0.1
128.06221	0.0
129.01839	0.3
129.07057	0.1
135.04408	4.0
137.02342	1.1
137.03351	0.1
137.05972	0.1
139.05428	0.1
143.04959	0.1
145.03931	0.1
147.04407	0.1
151.03865	0.1
153.01820	10.7
153.71274	0.0
154.02240	0.0
157.06503	0.1
161.02332	1.1
161.05922	0.1
163.07527	0.1
167.04993	0.1
167.08534	0.0
171.02872	0.6
171.04424	0.2
173.05952	0.0
179.03406	0.6
185.05934	0.3
189.05446	0.1
195.04327	0.1
195.08101	0.1
199.03854	0.1
201.05489	0.1
203.03485	0.2
213.05414	0.4
217.04901	0.1
219.06471	0.1
227.03499	0.1
231.06442	0.1
241.04921	1.3
244.03818	0.0
245.04367	0.2
255.10071	0.1
258.05200	0.1
259.05948	0.2
263.05566	0.1
267.76785	0.1
269.04422	0.8
270.05124	0.0
286.04697	0.1
287.05472	100.0
288.05777	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.2
53.53719	0.2
55.01889	0.5
55.05513	0.3
56.05041	0.2
56.96569	7.6
57.03439	5.2
58.10489	0.2
60.45663	0.2
60.95869	0.2
61.02928	2.2
65.03950	0.2
67.05505	0.2
69.03429	2.7
70.06614	1.3
70.06933	0.3
70.57935	0.3
70.58308	0.5
70.98123	1.9
71.01353	0.3
71.04990	0.4
71.95261	0.8
72.04523	0.2
72.08157	0.5
72.96057	0.3
73.02920	11.5
79.05498	0.7
81.03413	1.0
81.07064	0.6
81.31763	0.2
84.04523	0.3
84.08150	0.7
84.96041	0.5
85.02908	4.6
86.06039	0.3
87.04459	0.6
88.04002	1.1
88.99171	0.5
91.03960	0.3
91.05485	11.9
95.04959	0.2
97.02899	2.4
97.06568	0.4
98.03183	0.2
98.09665	0.2
98.97591	11.3
99.04480	0.2
99.97890	0.3
101.00870	1.1
102.96883	2.5
103.03954	0.2
106.06562	7.2
107.07092	0.2
108.08123	1.1
109.02886	0.6
109.06518	0.9
110.07168	0.6
110.97591	1.0
112.99148	0.4
113.00964	0.3
113.02374	0.2
113.03483	0.2
115.00738	0.3
115.03953	1.0
116.00259	0.2
116.07144	0.2
116.98634	4.8
118.01034	0.2
119.01888	1.2
119.04953	8.8
120.97955	1.0
121.01648	0.3
123.02937	0.2
124.03967	0.3
124.07598	8.7
124.95466	0.7
127.03948	1.2
128.98590	1.0
130.93304	0.8
131.00177	0.4
131.01909	0.6
133.01738	0.5
133.03461	0.4
133.04973	0.3
134.99654	1.6
136.07588	0.3
136.08649	0.3
137.05984	100.0
138.06357	0.4
138.98991	0.2
140.02284	0.2
140.98613	0.5
140.99582	0.3
142.96552	0.6
143.00192	0.4
143.01910	0.7
145.03505	0.4
145.04958	0.7
146.99660	0.8
148.03839	0.3
148.94376	0.2
149.01215	0.3
154.08640	5.2
154.93274	1.1
154.96550	0.2
155.01903	0.4
157.03432	0.3
158.99690	1.4
160.97618	0.4
161.02991	0.5
165.00757	0.2
169.03337	0.2
170.96039	1.3
172.02782	0.3
172.04567	0.2
172.94354	2.9
172.97626	0.9
173.01277	0.4
173.02963	0.7
174.04485	0.3
174.97739	0.4
174.99171	0.6
176.05167	0.4
177.00801	1.1
178.01045	0.3
179.00703	1.3
181.03432	0.3
184.97662	0.4
185.02939	0.4
188.97125	2.4
189.00784	0.9
190.05655	0.2
190.95418	1.6
190.98569	1.1
191.02330	0.3
193.00182	0.5
196.04048	0.4
196.94365	0.5
201.00777	0.4
202.98642	1.4
203.00594	0.3
203.02406	0.2
204.05347	0.3
205.04930	0.3
205.07304	0.4
206.98105	1.2
207.01717	0.3
207.74693	0.2
208.96432	0.5
208.99550	0.3
209.03242	0.2
212.97127	0.2
214.95375	1.9
214.98680	0.5
215.00473	0.2
216.96962	0.3
219.01828	1.0
219.03648	0.4
220.02222	0.7
220.06052	0.4
220.99654	1.0
221.01808	2.0
230.98167	1.5
232.96475	4.3
232.99756	0.9
234.03746	0.3
235.01338	0.2
237.02885	0.7
239.00793	0.2
242.08849	0.3
244.04904	0.5
244.99643	0.5
245.01601	1.2
245.05112	0.4
246.98233	0.3
247.02950	0.3
248.99158	0.8
250.10651	0.4
250.97591	1.1
254.15129	0.2
256.96439	0.5
260.95981	0.3
262.03162	0.6
262.05887	0.3
262.98788	0.4
263.02924	9.9
268.12015	0.3
269.10193	1.6
274.97495	2.5
277.13120	0.9
277.63388	0.3
280.99954	0.7
281.01840	0.6
286.12833	8.5
286.15668	0.8
286.97491	0.4
289.04065	0.3
292.98608	1.2
295.06961	0.7
304.00479	0.3
304.03833	0.8
304.06808	0.2
304.98544	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.05485	1.9
56.96564	14.0
57.03440	4.1
59.04964	2.0
60.04459	0.7
60.95820	0.7
61.02925	5.8
62.19798	0.6
68.05003	1.0
69.03439	4.7
69.36487	3.3
69.36900	1.7
70.06596	19.2
70.98077	1.0
71.01320	1.0
71.04998	5.5
72.08122	2.8
73.02929	4.9
74.53570	0.7
79.05448	2.6
80.04984	2.3
81.03451	3.3
81.07061	10.0
82.05302	1.3
82.06550	1.6
83.06109	6.6
84.08118	1.7
84.96003	2.2
85.02452	0.9
85.02910	13.3
86.09666	0.7
87.04441	1.4
87.08081	1.3
88.99144	1.0
91.03949	1.0
91.05476	4.9
93.04536	4.3
94.06552	1.0
95.05533	0.9
95.06094	13.2
96.04459	1.0
97.02889	6.2
98.97589	16.0
101.00880	0.9
106.06524	1.8
107.04982	0.8
107.06053	1.7
109.02876	1.9
110.01209	0.8
110.07173	79.5
110.97567	1.6
111.04383	1.1
111.05542	1.0
112.07608	13.0
112.08701	2.4
112.99111	1.2
113.11344	0.6
116.00272	0.8
116.07110	3.9
116.98636	7.5
119.01826	2.9
119.04917	2.5
121.06478	0.9
121.07608	1.7
124.03963	54.6
124.07587	4.7
127.00726	0.8
127.03918	3.7
128.98579	3.0
130.04730	0.7
130.08609	1.1
131.00194	1.6
131.01872	0.8
134.99664	2.1
137.05981	25.1
140.07092	7.8
142.01743	0.7
142.96535	0.8
143.00079	2.0
143.01915	1.2
145.01720	1.2
145.04951	2.2
146.99640	1.5
149.01193	0.9
152.06943	1.3
153.04309	0.9
153.05420	4.4
154.08556	0.8
155.04689	0.8
156.03328	55.4
156.07680	11.1
157.09706	0.8
158.99655	2.9
161.01266	0.9
161.02913	1.5
163.02686	0.8
163.12312	45.0
165.07831	1.0
166.03209	2.4
166.06108	1.9
168.03317	16.7
169.04427	1.6
170.99663	2.0
172.94250	0.8
174.04399	48.6
174.99159	1.3
175.02911	0.7
177.00700	2.8
185.09291	3.6
186.04395	100.0
187.04597	0.7
187.10866	1.5
188.07710	1.0
188.97089	1.3
189.00668	1.0
190.13399	6.4
190.95346	0.7
191.03905	1.4
192.05482	7.2
193.00175	1.2
193.13297	1.3
195.06531	2.6
197.06033	0.9
200.04492	1.3
201.00771	1.1
202.98619	0.8
203.02328	1.0
204.05452	86.1
205.03717	0.8
205.05507	1.8
205.07350	1.6
208.14441	10.6
209.06038	4.4
210.16232	0.7
218.07016	1.4
219.01717	3.8
219.11224	1.0
220.06030	1.1
222.06482	3.2
224.07803	0.8
227.07028	2.1
232.99661	1.2
236.13902	6.1
237.02885	3.5
240.17055	6.7
242.06999	1.4
244.99742	1.2
250.14507	1.8
254.15021	18.7
260.08118	0.9
268.15717	1.5
277.13138	3.0
286.05841	5.1
286.09335	10.9
286.17682	75.9
287.10950	2.9
291.07529	1.2
309.08725	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	285.2213
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03951	2.4
55.05518	17.7
57.07056	2.5
67.05507	20.0
69.03380	3.1
69.06728	4.7
69.07072	55.6
70.80798	7.2
71.04993	6.9
75.91126	2.8
79.05482	10.6
81.07061	29.8
83.04962	3.2
83.08610	8.0
83.48788	2.3
85.97250	2.2
91.05479	22.5
93.07047	36.0
95.04971	7.0
95.08614	39.8
97.06537	23.6
97.10159	6.2
98.21472	3.1
105.07033	65.3
107.08604	41.0
109.06522	24.3
109.10157	29.3
111.08073	7.6
116.24984	2.8
117.07024	7.8
119.08585	86.1
121.06498	10.3
121.10136	26.9
123.08066	4.5
123.11697	16.3
130.00633	2.5
131.08551	8.6
133.10136	51.9
135.08083	13.5
135.11679	14.6
137.09575	7.4
137.13240	2.6
142.07764	3.0
143.08548	6.5
144.09317	2.7
145.10115	22.6
146.07256	8.2
147.08034	4.6
147.11696	20.0
149.09558	3.4
149.13237	4.2
155.08510	3.9
156.09293	2.7
157.10162	6.0
159.11719	10.2
161.09631	100.0
161.13284	10.4
163.14847	3.0
169.10110	5.2
171.11743	7.5
173.13289	5.9
175.11174	4.8
175.14821	55.1
177.16402	10.9
182.10959	3.1
183.11729	5.9
185.13249	14.3
187.14854	2.8
189.12733	3.4
189.16496	3.7
193.15869	12.7
194.20505	2.4
197.13231	8.9
199.14893	3.2
201.16389	4.1
203.18074	3.0
211.14873	11.7
215.17918	4.7
225.16533	2.9
267.21091	9.4
267.23926	2.5
270.05240	3.7
285.07578	22.6
285.22122	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1851
Annotation	Methyl oropheate
Peak:m/z	Relative Intensity
51.31578	1.6
52.75354	1.6
53.03949	3.5
54.20077	1.7
55.01863	3.3
55.05509	14.5
56.96569	5.8
57.03196	2.0
57.03437	12.8
57.07074	4.3
59.04991	2.4
59.09937	1.8
67.05508	25.0
69.03424	6.2
69.07069	13.5
69.25317	15.6
70.06573	2.3
71.04980	5.7
79.05496	24.5
81.03423	45.4
81.07066	30.3
83.04990	5.4
83.08624	20.2
85.02905	20.2
85.06535	3.9
91.05482	35.3
93.07047	29.3
95.04977	20.8
95.08614	32.9
95.47193	1.7
97.06547	7.2
97.10129	2.7
98.20781	4.2
98.98484	2.0
99.04443	3.0
105.07037	34.7
107.04959	4.7
107.08599	37.1
109.06527	7.9
109.10158	24.8
111.04453	6.8
111.08094	12.5
113.06003	5.6
115.05488	3.6
117.07012	10.2
119.04930	2.2
119.08585	41.5
121.06530	5.2
121.10152	56.1
123.08090	7.5
123.11695	4.9
125.05959	4.6
125.09641	3.7
128.06239	4.7
129.07007	12.6
130.07809	3.0
131.08580	31.6
133.06508	3.2
133.10144	22.5
135.08080	11.5
135.11696	8.5
137.06020	3.0
137.09624	4.1
141.06992	4.9
142.07788	6.8
143.08548	18.4
144.09367	3.7
145.10132	38.2
147.08069	6.5
147.11720	16.8
149.09608	10.4
151.07608	2.1
154.07814	2.0
155.08562	7.8
156.09349	7.4
157.10141	32.5
158.10870	3.2
159.08049	6.5
159.11693	25.0
160.12547	2.6
161.06099	2.1
161.09624	9.9
161.13280	2.6
163.07567	5.2
163.11182	8.1
165.09146	4.5
165.12775	5.7
167.08536	3.2
168.09367	4.7
169.10132	13.4
170.10938	3.1
171.11691	24.2
172.08780	2.3
172.12503	2.3
173.09622	8.5
173.13293	20.9
174.14087	4.4
175.07655	2.1
175.11166	12.4
177.09163	5.5
177.12794	2.8
179.08492	2.4
181.10130	3.6
182.10928	3.3
183.11710	17.6
184.12486	3.2
185.09636	4.8
185.13240	6.1
185.36102	2.0
186.14117	2.2
187.11195	7.5
187.14764	9.6
189.12764	3.7
191.10635	4.6
193.10381	3.2
193.12260	37.4
195.11710	3.5
196.08743	2.0
196.12434	2.5
197.09653	2.7
197.13306	11.9
199.11263	5.1
199.14792	25.5
201.09291	2.3
201.12733	7.1
205.12192	2.6
209.13251	5.5
210.14098	2.0
211.11162	8.8
211.13277	19.8
211.14995	9.2
213.16434	4.1
214.17108	3.3
215.10686	1.9
215.17972	4.1
217.12286	4.3
223.14832	5.7
224.15543	3.1
225.12859	5.3
225.16370	12.1
227.14323	5.2
229.12318	8.0
239.17923	12.2
242.05719	10.3
242.16608	3.7
243.13954	3.1
243.17427	5.5
249.16357	3.2
252.72878	2.1
257.19031	14.4
267.17770	22.8
270.05261	7.2
285.07639	32.9
285.18829	100.0
285.22058	4.1
285.29803	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	285.1696
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03936	2.3
55.01858	3.0
55.05510	17.4
56.96572	5.1
57.03440	26.6
57.07061	1.3
65.03938	2.0
67.05505	38.2
69.03410	2.7
69.06724	1.8
69.07068	21.3
69.88483	4.6
71.04992	7.7
75.03826	1.1
79.05492	20.7
79.05952	1.4
81.03407	5.0
81.07057	100.0
83.04987	10.4
83.08619	11.6
85.02886	2.0
85.06526	6.5
91.05483	28.1
93.07048	15.7
95.04967	5.0
95.08611	23.6
97.06533	16.2
97.10178	2.2
98.20883	1.2
98.97581	4.0
99.04456	1.4
99.08075	4.0
101.06051	1.5
105.07032	39.4
107.04942	1.3
107.08597	17.5
109.06519	6.9
109.10158	7.5
111.08073	2.1
113.06014	2.2
115.05437	1.1
117.07013	2.7
119.08586	29.7
121.06440	1.1
121.10145	21.1
123.08071	5.2
123.11710	31.2
127.07555	3.3
129.06995	3.9
131.08571	3.4
133.10124	12.0
137.09662	1.1
137.13280	2.0
141.09071	2.6
145.10132	2.9
147.11691	76.2
148.21928	1.0
149.09631	1.4
151.11172	5.9
157.10080	5.5
159.08073	1.2
159.11594	1.1
160.05153	1.3
161.02942	1.5
161.05948	2.3
165.12761	41.6
169.12207	1.2
169.68095	1.1
170.99806	1.1
173.06062	2.3
175.11244	5.2
183.13802	7.7
187.07541	2.9
189.09106	2.1
193.12257	7.3
194.92729	1.0
199.07500	1.6
199.14798	1.0
204.10968	1.2
211.13249	2.2
229.14310	8.6
242.05763	1.8
262.67706	0.9
267.15891	7.2
284.62830	1.9
285.07712	4.3
285.17004	69.4
285.22177	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03938	1.6
55.01874	2.0
55.05236	0.7
55.05511	14.7
57.03439	21.1
57.07068	1.0
59.04992	1.0
65.03946	1.2
67.05507	32.2
69.03429	1.1
69.07069	20.4
69.40594	1.8
69.41014	2.6
71.04993	6.1
73.06561	0.7
77.01778	0.6
79.05493	17.9
81.03430	1.7
81.07057	100.0
83.04976	7.5
83.08618	9.0
85.06541	6.9
87.04489	0.7
91.05482	26.1
93.07046	11.6
95.04975	2.5
95.08609	20.5
97.06535	8.3
97.10167	0.6
99.04455	0.7
99.08096	4.6
101.06039	1.9
105.07034	36.8
107.08593	11.4
109.06530	5.0
109.10137	2.0
111.08118	1.4
113.06028	1.9
117.07011	0.8
119.08585	30.1
121.10143	20.4
123.08070	6.3
123.11707	31.6
127.07565	2.8
129.07018	2.1
131.08575	1.7
133.10115	3.0
137.13274	2.8
141.09102	1.6
147.11685	78.0
149.09540	0.6
157.10120	3.5
165.12753	45.1
173.13434	0.5
175.11183	4.8
183.13789	5.9
193.12234	3.3
211.13295	1.3
229.14369	7.5
241.12526	0.6
267.15967	5.1
273.61404	0.6
285.16965	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01873	1.8
55.05513	15.9
56.96556	0.6
57.03439	23.2
57.07075	1.1
59.04997	0.8
65.03951	1.3
67.05506	33.3
68.00250	0.4
69.03437	1.2
69.07066	19.1
69.23528	2.6
69.23952	1.7
71.04995	5.6
73.06552	1.0
75.56827	0.4
79.05493	18.7
81.03427	2.3
81.07059	100.0
83.04983	8.0
83.08622	10.3
85.02917	1.2
85.06544	7.4
87.04481	1.1
91.05479	25.9
93.07048	12.7
95.04995	3.3
95.05524	0.8
95.08607	20.6
97.06522	8.5
97.10179	0.9
98.20816	1.1
99.08092	4.3
101.06025	1.3
105.07032	35.5
107.04998	0.6
107.08595	13.9
107.09305	1.0
109.06532	6.3
109.10188	2.1
111.08087	1.6
113.06052	1.3
114.09181	0.4
117.06971	0.8
119.08585	29.4
121.10146	19.1
123.08082	4.8
123.11710	33.3
125.09676	0.6
127.07582	2.7
129.07005	2.0
131.08572	1.9
133.06485	0.5
133.10150	2.7
135.11687	0.5
137.09627	0.8
137.13245	2.4
141.09116	1.5
142.07797	0.7
143.08553	0.6
145.10156	1.3
147.11690	77.4
149.09612	1.0
157.10143	4.7
159.11702	0.5
165.12755	43.6
169.06424	0.5
175.11177	3.3
183.13792	5.7
193.12273	4.3
199.07527	0.5
211.13309	1.4
229.14362	8.7
241.12158	0.7
267.15872	5.5
267.20670	0.4
285.16974	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03931	2.3
55.01864	2.2
55.05518	15.9
57.03196	1.6
57.03444	23.8
57.07070	1.0
58.04022	1.1
59.04999	0.9
65.03914	1.7
67.05511	35.7
69.03418	1.4
69.06729	1.4
69.07074	21.3
69.20695	1.1
69.63430	5.5
70.16097	0.9
71.04982	5.9
73.06558	1.0
79.05502	21.5
81.03423	23.2
81.07062	100.0
83.04986	7.7
83.08624	15.8
85.02870	1.5
85.06554	6.4
91.05487	29.8
93.07043	16.4
95.04984	10.6
95.08611	22.0
97.06541	10.7
97.10175	2.1
98.21446	2.0
98.68181	1.0
98.97641	1.3
99.08085	4.3
105.07034	38.9
107.04942	2.0
107.08599	11.9
109.06496	5.4
109.10152	2.4
111.08100	3.2
113.06045	1.6
117.07022	1.5
119.08589	28.9
121.10150	20.7
123.08057	4.5
123.10831	1.9
123.11717	32.1
127.07568	3.4
129.07013	3.6
131.08571	4.7
133.06520	2.0
133.10176	5.4
137.13268	2.3
141.09056	1.6
147.11699	86.9
149.09581	1.0
157.10156	6.8
165.12767	46.6
175.11176	7.3
183.13844	4.9
193.12251	15.4
211.13338	3.0
229.14281	9.6
248.33408	1.0
267.13788	1.1
267.16013	12.0
285.16992	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03942	4.7
54.05189	1.3
55.01870	5.5
55.05513	29.1
56.96563	4.5
57.03439	34.4
57.07073	2.2
58.21736	1.3
59.05011	2.0
60.75515	1.4
62.23786	1.5
63.68081	1.2
65.03955	2.6
67.05504	55.8
69.03432	7.8
69.07063	21.0
69.71775	8.3
71.04998	10.6
79.05494	51.3
79.05960	1.7
81.03417	86.7
81.07057	99.3
83.04984	23.0
83.08620	25.9
85.02904	17.8
85.06541	9.6
87.04469	5.6
89.04026	1.7
91.05484	62.4
93.07045	34.0
95.04970	54.9
95.08607	33.4
97.02908	2.7
97.06531	20.3
97.10178	4.2
98.97580	5.1
99.04453	1.5
99.08105	5.0
101.66151	1.4
105.07034	56.6
107.04964	12.4
107.08597	25.1
109.06528	15.3
109.10123	9.0
111.04442	5.1
111.08096	14.7
113.06003	4.7
115.05452	1.9
117.07010	5.0
119.08576	39.7
120.78823	1.6
121.06479	3.1
121.10139	21.6
123.08040	8.1
123.11704	21.2
125.09628	5.7
127.07590	3.1
127.37190	1.3
129.07002	16.3
131.08568	19.3
133.06514	4.8
133.10127	23.8
135.08073	9.2
135.11720	5.5
137.06076	1.8
137.09644	3.8
137.13286	4.1
142.07799	4.8
143.08588	1.5
145.10136	4.6
147.08067	4.5
147.11690	63.7
149.09628	11.5
151.11185	12.2
155.08482	1.7
157.10139	21.5
159.11729	2.4
161.06006	3.6
161.09692	1.6
162.25052	1.5
163.11115	2.7
165.07022	2.4
165.12761	29.4
173.05960	1.9
175.11197	26.7
183.13861	3.5
185.09615	2.2
187.07565	2.2
189.09221	2.0
193.12254	69.7
197.06073	1.6
199.07591	3.3
210.06854	2.1
211.13271	26.3
212.08493	3.5
221.06094	2.2
225.09180	4.3
229.14432	5.1
241.12227	7.3
242.05624	2.1
249.14923	2.2
249.18399	1.7
253.08723	6.5
257.04483	1.4
258.05270	3.8
267.15991	20.2
267.19214	2.8
285.07672	5.3
285.11581	6.6
285.17026	100.0
285.22180	5.8
286.04672	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
54.93320	1.2
55.01863	3.7
55.05511	11.2
57.03435	17.6
67.05503	19.0
69.03431	3.8
69.07067	3.4
69.57450	2.5
69.57851	7.0
71.04994	3.4
79.05493	16.3
81.03417	100.0
81.07057	21.4
83.04981	8.8
83.08623	24.4
83.67635	1.2
85.02906	24.8
91.05482	22.9
93.07048	12.7
95.04971	29.3
95.08601	6.9
97.02895	2.6
97.06525	3.0
97.10173	1.5
99.08125	1.2
105.07022	16.7
107.04961	6.6
107.08597	6.1
109.06509	5.1
111.04420	3.8
111.08089	15.1
113.06004	2.6
119.08591	12.8
121.10131	9.1
123.08047	2.0
123.11720	1.8
125.09621	1.6
129.06996	9.4
131.08577	8.4
133.06485	3.1
133.10143	7.6
137.09653	1.6
142.07773	2.3
145.10088	2.6
147.08046	3.9
147.11682	11.9
149.09613	5.3
157.10138	13.2
165.12788	4.3
175.11176	15.8
186.39310	1.2
193.12244	76.7
211.13286	30.7
229.14401	2.4
259.08511	4.0
267.15903	13.9
285.16949	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03933	1.8
54.11696	0.9
54.29805	0.9
55.01862	3.1
55.05509	11.7
57.03438	17.8
63.33104	0.8
65.03954	1.0
67.05506	17.8
69.03416	3.4
69.07066	5.0
69.66416	0.9
71.04974	3.8
79.05074	1.2
79.05497	19.1
81.03419	100.0
81.07056	21.9
83.04980	9.7
83.08146	1.7
83.08620	25.9
85.02905	28.2
85.06560	2.0
91.04906	1.5
91.05483	23.8
93.07048	11.6
95.04974	29.5
95.08593	7.8
97.02891	3.0
97.06516	3.8
97.10164	2.5
97.69902	1.1
98.21552	1.6
105.07021	14.2
107.04953	6.7
107.08606	7.4
109.06541	5.2
109.10147	2.6
111.04413	1.8
111.08096	14.8
113.05994	2.1
115.05426	1.4
117.07005	1.7
119.04911	1.1
119.08583	14.8
121.06535	1.7
121.10145	8.0
123.08044	2.1
123.11725	2.1
129.07002	10.8
131.08566	9.0
133.06480	3.8
133.10129	6.9
135.08095	1.5
142.07785	2.2
145.10112	2.0
147.08044	3.7
147.11673	16.1
149.09590	5.1
157.10146	13.6
165.12758	4.7
173.77513	1.3
175.11188	18.3
175.12689	0.7
189.32205	1.0
193.12248	78.7
211.13293	33.2
229.14243	1.7
267.15955	16.7
285.07642	1.2
285.16971	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	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03936	3.1
53.81917	1.4
55.01861	3.6
55.05506	12.5
57.03188	1.9
57.03436	21.4
58.45723	1.4
59.04967	1.4
67.05174	1.7
67.05502	21.3
69.03419	4.9
69.07067	7.2
69.66763	6.9
71.04977	4.6
72.11047	1.2
78.48450	1.3
79.05492	23.5
81.03417	100.0
81.07053	27.8
83.04978	13.1
83.08617	25.9
85.02901	39.8
85.06516	2.2
85.73476	1.3
91.05480	28.3
93.07043	15.2
95.04971	32.8
95.08606	11.2
97.02865	4.2
97.06512	5.9
97.10162	2.4
105.07043	20.9
107.04962	7.4
107.08584	6.0
109.06496	4.9
109.10133	2.6
111.04424	3.4
111.08079	13.8
113.05964	2.9
115.05437	1.6
119.08578	16.5
121.06467	1.8
121.10152	9.7
123.08040	2.2
129.07010	14.0
131.08562	11.1
133.06471	3.1
133.10118	11.7
142.07841	1.5
147.08060	3.7
147.11687	15.4
149.09616	6.3
155.08490	2.0
157.10143	14.5
163.11172	1.8
165.12711	3.7
175.11183	18.7
193.12242	74.8
194.30016	1.3
211.13281	34.5
229.13422	1.4
240.77165	1.3
265.35199	1.4
267.15906	15.2
285.16956	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	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03935	3.6
55.01866	2.5
55.05524	6.2
57.03446	4.5
64.79113	0.9
67.05512	10.2
69.03426	2.5
69.07059	2.7
69.71897	5.3
71.04970	2.2
79.05494	12.6
81.03421	100.0
81.07059	9.7
83.04990	5.9
83.08150	1.3
83.08625	21.8
85.02876	2.5
91.04968	1.3
91.05489	14.4
93.07052	6.5
95.04980	24.8
95.08586	2.5
97.02883	2.7
97.06547	2.0
98.20821	1.4
99.08134	1.0
105.07040	9.3
107.04954	5.0
107.08585	3.2
109.06494	2.6
109.10151	1.1
111.04417	1.9
111.08096	9.5
115.05442	1.2
117.06980	1.4
119.08573	8.4
121.10146	4.6
121.24085	0.8
123.08064	1.1
129.07014	8.0
131.08589	6.3
133.06465	3.1
133.10136	4.1
137.09572	2.2
142.07779	2.4
147.08041	1.7
147.11696	6.9
149.09612	4.2
157.10158	8.5
165.12706	1.9
175.11203	11.4
189.99158	1.0
193.12251	61.8
197.20149	0.9
211.13370	5.5
225.09093	1.1
253.08556	1.3
267.15924	18.2
285.07297	1.4
285.11469	1.3
285.17184	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	284.3312
Annotation	CETRIMONIUM
Peak:m/z	Relative Intensity
54.14552	0.4
55.05500	0.7
57.06834	0.4
57.07081	4.5
58.06613	1.5
60.08167	19.3
69.07063	0.8
69.77718	2.5
83.08629	0.4
85.10166	0.8
91.05474	0.4
93.07018	0.5
95.08601	0.7
105.07064	0.5
107.08605	0.5
111.13085	0.4
121.39712	0.4
127.79991	0.4
166.58238	0.4
207.17464	0.4
216.54156	0.4
241.08760	0.6
284.33121	100.0
285.07553	1.0
285.33405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.099
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.01841	0.2
56.96566	1.2
57.03422	0.4
69.03419	0.3
70.06601	0.4
70.07864	0.7
73.02923	0.4
85.02892	0.5
85.85087	0.1
97.02870	0.3
98.97587	6.6
99.97961	0.2
100.97160	0.2
101.00879	0.6
103.22254	0.2
109.05139	0.4
110.03543	2.3
110.97581	0.2
115.03972	0.2
116.98634	2.3
119.01945	0.9
128.04559	0.4
134.04631	0.3
134.99646	0.4
135.03024	5.9
152.05679	100.0
153.04089	3.9
155.00168	0.3
158.99855	0.2
164.99896	0.2
177.00941	1.1
182.99879	0.2
190.95328	0.2
192.92096	0.2
197.88034	0.2
201.00842	0.8
201.02560	0.3
217.03987	0.2
219.01968	2.7
225.01062	0.4
230.11745	0.4
237.98688	0.5
239.27492	0.2
243.01913	1.6
257.56622	0.2
260.99750	1.8
261.03058	14.2
266.13889	0.4
273.60825	0.2
278.01056	0.2
278.97333	0.3
279.00616	2.3
284.04703	0.6
284.09961	0.2
284.14868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
53.03942	2.6
53.09867	1.2
54.04027	1.2
55.01889	1.3
55.05511	10.6
57.03434	1.6
57.07069	3.9
61.04861	1.4
63.44878	1.1
65.03933	3.0
67.05504	22.6
69.03433	9.5
69.07071	11.6
71.04994	20.3
77.03902	1.4
79.05490	22.1
81.07059	43.7
83.04976	5.0
83.08614	4.1
85.06521	1.7
91.05483	30.4
93.06484	2.6
93.07045	43.3
95.04966	14.4
95.08601	21.7
97.06507	5.5
103.05444	2.6
105.04523	1.3
105.07029	67.8
107.04962	1.8
107.08597	40.1
109.06536	9.8
109.10159	23.7
111.08064	2.3
115.05435	2.6
117.07011	15.3
119.08580	50.2
121.06540	7.5
121.10143	91.6
123.08069	7.2
123.11684	6.8
125.09674	2.4
128.06213	6.4
129.06995	7.5
130.07796	9.9
131.08568	39.2
133.07520	2.7
133.10141	43.1
135.08070	11.2
135.11690	14.3
137.09624	2.2
141.06976	3.7
142.07768	5.7
143.08563	25.9
144.09329	4.8
145.10117	53.6
146.07260	3.8
147.08011	3.8
147.11705	12.2
149.09682	2.1
149.13252	3.2
155.08560	4.1
156.09341	6.0
157.10118	20.8
158.10861	8.3
159.08034	3.2
159.11713	16.5
161.09621	32.4
161.13269	5.8
163.11162	11.7
164.33130	1.5
165.06978	1.8
166.07684	1.5
167.08542	3.7
168.09378	1.7
169.10144	8.1
170.10866	4.1
171.11679	17.8
173.09674	3.7
173.13260	68.7
175.11179	4.4
175.14801	7.6
179.08525	3.8
180.09337	3.2
181.10071	4.0
183.11700	7.1
185.09645	2.2
185.13263	9.5
187.11244	2.2
187.14789	10.3
189.12775	3.9
191.14322	1.7
193.10181	2.4
194.10918	5.3
195.11736	7.4
196.12465	2.0
197.13268	6.5
199.11215	3.4
199.14809	8.6
201.12741	2.3
201.16367	5.3
203.14366	1.9
208.12523	2.0
209.13237	11.4
213.12700	4.0
213.16394	4.3
215.14342	1.9
223.14888	7.4
225.16350	4.0
227.14343	7.5
235.14796	1.8
239.17897	2.9
251.16440	2.2
255.21135	15.9
265.19556	19.0
283.20560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2057
Annotation	all-trans-Dehydroretinal
Peak:m/z	Relative Intensity
53.03948	3.6
55.05523	9.0
57.03432	3.1
57.07061	5.5
67.05504	27.7
67.43128	1.8
69.03440	9.2
69.07088	10.0
70.38373	4.7
71.04999	21.5
77.02283	1.7
79.05492	26.2
81.03399	3.4
81.07056	43.9
83.04971	6.8
83.08617	4.3
85.06550	1.9
91.05477	27.5
93.07046	49.8
93.07631	3.4
95.04976	14.7
95.08613	21.6
97.02856	3.0
97.06521	5.6
103.05483	3.7
105.07035	64.0
107.04950	3.1
107.08598	33.5
109.06503	9.6
109.10143	17.0
111.08075	3.7
115.05446	2.7
117.07013	14.9
119.08592	40.4
121.06490	7.7
121.10146	100.0
123.08075	9.6
123.11683	3.2
125.09701	2.3
128.06187	5.2
129.06998	8.5
130.07780	10.9
131.08585	35.7
133.07626	2.1
133.10141	37.6
135.08055	10.5
135.11713	11.9
137.09651	2.7
142.07768	7.3
143.08575	18.8
144.09344	4.7
145.06580	1.9
145.10130	52.8
146.07277	2.3
147.08078	3.2
147.11703	10.5
147.62402	1.8
149.13150	2.2
153.12637	2.3
155.08582	3.4
156.09360	5.5
157.10146	16.9
158.10889	7.2
159.08122	2.6
159.11681	13.5
161.09630	33.2
161.13269	6.0
163.11176	10.9
167.08650	1.8
169.10123	3.2
170.10918	2.4
171.11678	10.9
173.09657	1.9
173.13268	73.6
174.13881	2.1
175.11200	2.3
175.14845	5.5
179.08647	2.6
181.10153	4.6
183.11708	3.0
185.09583	2.8
185.13281	7.4
187.14793	9.1
189.12834	2.1
191.14307	8.4
193.10162	2.5
194.10797	3.7
195.11699	6.3
197.13206	3.3
199.11169	2.9
199.14856	4.6
201.16396	3.2
207.11797	2.7
208.12431	2.3
209.13310	9.5
211.14880	2.4
212.43150	1.9
223.14847	7.1
225.12820	1.8
225.16417	3.1
227.14349	4.8
239.17917	2.3
255.21115	5.9
265.19550	16.6
283.15311	5.2
283.20566	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01869	3.9
55.05509	8.1
56.96584	0.6
57.03441	9.3
57.07087	0.9
65.03952	1.0
67.05505	14.4
69.03432	1.3
69.07074	6.4
69.40150	1.3
69.40556	3.5
71.04995	2.6
73.02921	1.7
77.03924	0.6
79.05493	20.6
81.03422	2.5
81.07056	17.1
83.04987	4.5
83.08608	6.0
83.08975	0.5
86.67377	0.6
91.05481	7.3
93.07043	28.4
95.04971	6.1
95.08606	28.3
96.04491	0.6
97.02886	3.4
97.06542	2.6
99.04460	3.0
103.05549	0.6
105.07046	5.4
107.04956	7.8
107.08592	23.2
107.09300	1.2
109.06529	1.8
109.10152	2.4
111.04449	1.9
111.08089	1.6
113.06001	1.0
117.07021	8.3
119.08578	8.2
121.06501	5.1
121.10145	10.8
125.06025	2.4
130.07808	1.8
133.10144	2.5
135.08075	1.9
135.11694	39.7
139.07518	1.1
140.79512	0.6
143.08588	1.3
145.10129	23.6
153.12778	1.1
155.08537	0.8
163.11180	54.8
173.09610	1.4
181.12238	13.2
189.16290	0.6
191.10658	0.8
209.11731	2.6
209.13531	0.7
227.12782	100.0
275.84323	0.6
283.15387	33.1
289.28650	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	1alpha-Hydroxyalliacolide
Peak:m/z	Relative Intensity
53.03940	5.5
55.01872	10.7
55.05514	17.6
56.67855	1.5
56.96300	1.7
56.96568	28.8
57.03187	2.0
57.03442	26.1
57.07060	2.5
62.41964	1.2
65.03929	3.4
67.05508	62.3
69.03439	7.4
69.07071	17.4
70.06580	2.3
71.01353	2.2
71.04989	8.1
71.95253	3.3
72.96041	3.2
73.02916	2.3
79.05496	52.3
79.05966	2.7
81.03416	20.2
81.07059	42.9
83.04983	25.3
83.08624	7.1
85.02910	4.9
85.06556	8.0
86.09667	1.3
87.04470	3.8
91.05482	33.4
93.07047	49.8
95.01337	2.4
95.04972	21.0
95.08619	17.8
97.02894	4.6
97.06536	22.7
97.10162	4.0
98.97570	4.4
99.04459	4.9
99.08113	1.9
101.06022	1.9
103.03938	2.7
105.00197	1.6
105.04521	2.0
105.07029	16.2
107.04964	34.7
107.08590	27.7
109.06506	5.2
109.10151	6.5
109.98478	1.6
110.03153	1.5
111.04450	13.3
111.08067	6.0
113.06003	4.9
115.00688	8.0
115.05463	2.4
116.06255	1.9
116.98654	2.0
117.07020	18.3
119.01773	2.0
119.08579	18.1
121.02901	3.7
121.06529	7.9
121.10152	37.3
123.01211	1.6
123.04470	3.3
123.08069	4.2
123.11710	4.1
125.06004	3.4
125.09594	4.0
129.02261	1.5
129.07008	5.1
130.07800	1.9
131.00215	2.3
131.04915	5.4
131.08588	12.4
133.01756	4.0
133.06497	1.5
133.10112	6.7
135.08080	5.3
135.11703	33.5
137.02740	5.8
137.05968	6.6
137.09651	3.0
138.06294	1.5
139.11183	1.3
145.06470	7.1
145.10126	36.8
147.08041	4.6
147.11703	3.8
149.09581	8.2
153.12755	10.5
155.03755	2.2
155.08583	10.7
158.99644	1.5
159.11708	1.9
163.11194	41.5
165.09088	1.8
167.07066	1.5
171.03345	1.7
173.09618	24.4
175.02757	1.7
177.53769	1.8
181.12262	13.4
183.03195	2.3
185.04866	4.2
189.04349	1.5
191.10663	23.4
201.04297	6.9
203.05905	8.5
209.11731	27.5
211.06462	7.1
215.09554	1.8
219.05431	4.7
221.06999	1.8
223.06395	8.7
227.12762	18.9
229.07439	6.0
234.12045	1.7
239.09573	6.0
239.18246	2.4
241.07477	82.0
247.13309	2.1
247.17018	1.5
255.15895	2.2
257.10614	2.5
259.05829	3.5
259.08536	53.2
261.10086	2.6
264.09082	6.4
265.14264	12.6
265.18219	2.9
265.21606	1.5
283.05981	3.0
283.08661	6.7
283.15411	100.0
283.20526	3.2
301.09613	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01873	4.5
55.05513	9.4
56.96553	1.1
57.03185	0.8
57.03442	9.6
57.07069	1.3
59.31717	0.5
65.03938	0.6
67.05507	16.8
69.03421	1.6
69.07063	5.7
69.40203	4.6
70.06608	0.7
71.04984	2.4
73.02919	0.9
74.24433	0.5
79.05497	23.3
81.03416	3.0
81.06590	1.1
81.07059	19.2
83.04990	3.8
83.08624	7.7
85.02872	0.6
85.06525	0.9
91.05477	7.0
93.07048	33.2
95.04971	8.2
95.08610	31.6
97.02879	3.3
97.06540	4.3
97.10188	1.2
98.97566	0.7
99.04461	4.5
103.05424	0.6
105.07037	7.0
107.04285	0.9
107.04958	9.2
107.08600	22.5
109.06512	1.8
109.10152	2.4
111.04438	2.1
111.08073	1.0
113.06042	1.0
117.07020	9.3
119.08584	8.5
121.06496	5.6
121.10146	12.0
123.08091	0.7
123.11628	0.6
125.06035	3.3
129.07013	0.7
130.07773	2.1
131.08545	1.1
133.10124	2.6
135.08047	2.5
135.11697	43.3
139.07526	1.5
143.00162	0.5
143.08585	1.3
145.10132	25.9
145.11299	1.3
150.09178	0.5
153.12730	1.3
155.08562	0.7
163.11188	58.4
173.09625	1.1
181.12233	14.5
209.11662	2.5
227.12791	100.0
258.09406	0.6
273.96790	0.6
283.15411	33.3
283.20499	1.3
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	1alpha-Hydroxyalliacolide
Peak:m/z	Relative Intensity
50.94460	1.9
53.03931	5.6
55.01872	14.9
55.05510	20.5
56.96549	7.3
57.03438	20.7
57.07066	5.4
59.04978	2.3
67.05179	3.0
67.05505	41.5
69.03405	7.7
69.07072	16.7
70.06564	1.8
70.89095	3.8
71.04994	11.1
71.25478	1.6
73.02896	2.3
79.05495	55.0
81.02989	2.1
81.03416	26.9
81.07056	35.7
83.04982	33.1
83.08610	14.0
84.08119	2.4
85.02906	8.4
85.06513	4.5
87.04474	2.7
91.03991	1.8
91.05482	27.3
93.06480	3.5
93.07043	54.9
95.04978	16.2
95.08607	38.5
97.02889	8.6
97.06530	17.2
98.23111	1.6
98.97599	10.4
99.04443	7.6
99.08127	1.6
101.07722	2.1
103.05422	2.6
105.07029	16.0
107.04955	42.9
107.08597	40.3
109.06512	4.1
109.10152	14.3
111.04439	23.0
111.08054	6.2
113.05968	2.5
116.98651	2.6
117.07021	13.2
119.07930	1.6
119.08590	18.1
121.02827	3.7
121.06493	10.5
121.10149	20.9
123.08109	3.4
123.11620	2.2
125.05972	5.3
125.09593	3.6
129.06998	2.3
130.07761	3.7
131.08557	8.7
131.54904	1.8
133.10161	8.6
135.08051	5.9
135.11693	51.2
136.49780	1.8
137.05972	3.8
137.09668	3.6
137.13185	1.7
139.07564	3.0
143.08560	2.8
145.06497	2.2
145.10120	36.5
147.04414	1.9
147.05531	1.8
147.08037	4.6
147.11639	3.3
149.09596	3.2
153.12732	25.5
155.08559	2.8
157.10126	2.8
161.09604	1.7
163.11177	67.9
163.86368	2.1
172.03722	2.4
173.09639	12.9
177.00696	1.8
177.89890	1.8
181.12244	27.9
186.07205	3.9
191.10640	20.1
209.11722	18.9
219.01765	2.5
227.12782	100.0
241.07518	5.6
247.17032	1.9
254.57642	1.8
255.15692	2.8
259.08466	3.5
265.14236	5.8
267.09891	6.8
274.10809	3.2
283.06339	2.6
283.11539	13.4
283.15387	98.8
283.20551	4.6
284.13034	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.8
55.65886	0.4
57.03426	1.2
57.07020	0.4
60.05890	0.4
64.86277	0.4
65.12669	0.5
67.05493	1.8
69.07081	0.6
69.81410	2.1
79.05487	2.1
81.07045	1.2
81.15646	0.4
83.08597	0.5
86.58008	0.5
91.05481	0.5
93.07034	2.9
95.04935	0.8
95.08621	2.2
98.20847	0.8
98.97565	0.7
105.07014	0.7
107.04942	0.8
107.08610	1.9
117.07004	0.9
119.08569	1.1
121.06487	0.6
121.10146	1.1
135.11681	2.9
145.10115	2.0
145.52510	0.4
163.11180	4.6
165.56380	0.4
181.12193	1.0
218.82629	0.4
227.12790	8.1
233.11446	3.0
251.11249	0.7
251.22638	0.5
265.14099	1.4
268.78479	0.4
269.12405	2.5
279.10196	0.4
283.15176	100.0
284.15506	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.5
56.96566	0.8
67.05508	0.3
68.05047	0.4
69.03438	0.3
69.05821	0.6
70.06590	0.9
70.40920	1.0
72.08151	0.3
81.03391	0.2
81.07040	0.3
82.06567	2.2
83.08618	0.3
84.08147	100.0
85.02897	0.5
86.09701	0.5
91.05466	0.7
97.02892	0.4
98.97595	2.0
103.05493	0.3
104.30008	0.2
114.99386	0.2
116.98641	1.0
119.05006	0.3
120.05563	0.4
120.08110	1.1
121.08479	0.3
123.04444	0.6
134.09692	0.7
134.99689	0.4
136.06221	0.8
137.05972	0.9
137.36749	0.3
143.00101	0.3
150.07758	1.6
158.99631	0.3
161.05919	0.3
164.06929	0.3
177.00742	0.3
177.07800	0.6
189.08905	0.3
206.11771	53.4
237.02748	0.2
238.14441	0.3
250.14343	0.3
258.99884	0.3
264.12173	0.3
264.16031	2.1
277.00797	0.6
282.13312	1.0
282.16846	2.6
282.22107	0.8
282.27960	0.3
303.17804	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
57.03445	3.9
61.02917	3.2
63.70114	0.7
67.05486	1.4
69.07056	1.2
69.90038	0.8
70.72865	1.8
70.73196	1.0
71.04990	1.0
72.08160	1.1
73.85501	0.7
79.05492	1.7
81.07069	0.8
81.63500	0.7
83.04961	1.0
84.08124	1.7
85.54328	0.6
91.05483	8.0
93.07037	2.2
95.04987	0.8
100.14192	0.7
103.05465	1.4
105.07041	6.2
107.04980	3.1
109.02908	1.2
115.05462	1.6
117.07008	4.1
119.04916	1.5
119.08513	1.1
120.08089	2.9
121.06475	2.5
124.88188	0.7
128.06230	4.2
129.06966	1.0
129.57607	0.7
131.04982	0.9
131.08525	2.6
133.06490	19.9
133.10112	3.1
135.04384	1.6
137.06021	1.6
143.08531	4.9
145.06468	2.6
146.07285	1.6
146.78917	0.9
147.08049	1.8
149.05988	13.4
152.05705	7.3
153.05443	1.9
153.06860	0.8
155.06049	0.8
157.06479	1.0
159.08083	1.8
161.06079	0.9
161.09608	16.7
163.07524	6.1
163.48947	0.8
167.07054	3.3
169.10136	0.9
171.08028	4.0
171.87677	0.9
177.09106	9.2
187.11186	3.4
189.05472	2.3
189.09111	100.0
197.09703	1.2
205.12263	6.1
206.11768	31.8
213.05330	1.0
215.10672	8.8
216.35059	0.7
232.13329	2.6
233.11737	15.5
240.15982	1.0
247.13266	5.0
250.14430	1.9
263.64523	1.0
264.15973	10.9
265.11182	1.7
265.14346	31.0
282.07632	0.9
282.16629	3.2
282.22263	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.7
55.05503	2.5
56.27845	2.4
57.03421	4.8
61.02922	2.3
67.05512	3.3
69.07059	21.9
69.67757	12.4
69.68105	4.1
78.19003	2.1
79.05481	16.3
91.05477	11.8
93.64543	2.0
97.05916	4.8
97.06535	90.9
103.52766	2.0
104.29424	2.1
104.40726	2.1
107.04955	4.5
109.89738	2.3
119.04941	9.4
121.06512	2.2
122.18433	2.2
123.04410	6.9
129.09096	7.0
135.04401	4.2
137.05975	100.0
142.27402	2.3
146.97002	2.4
147.04443	11.0
147.07964	2.2
148.05177	7.5
149.05965	2.6
155.02757	2.1
157.63049	2.0
161.09660	4.0
164.07068	8.9
177.09116	29.1
189.09076	21.0
203.10710	3.8
206.11758	20.7
215.10675	13.3
225.22444	2.2
233.11707	67.9
235.13177	3.0
247.13330	35.9
250.14517	2.6
264.15958	78.1
265.14365	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.8
55.05508	3.5
56.96558	2.5
57.03436	3.9
61.02910	1.0
67.05508	1.8
69.03416	2.0
69.07068	1.4
69.82964	3.0
69.83387	1.5
70.06579	1.8
71.04993	2.5
72.08147	1.3
79.05481	1.2
81.07042	1.5
83.04954	0.9
83.08629	1.7
84.03726	0.6
84.08143	4.2
85.02890	2.3
85.06574	0.8
86.09715	1.2
86.39562	0.7
87.04457	1.1
89.06019	0.9
91.05482	3.0
93.07041	2.3
95.08586	0.7
97.02894	0.9
97.06521	2.0
98.97594	5.9
103.05488	1.0
105.07034	4.8
107.04940	3.5
109.02868	0.8
109.06517	0.6
109.61707	0.7
110.97562	1.3
115.05427	1.0
116.98612	2.4
117.07076	1.1
118.01255	2.1
119.01705	0.9
119.04964	2.5
119.08611	0.8
121.06517	1.0
123.04354	1.5
128.02339	0.7
128.06212	2.5
129.06979	1.3
131.04926	1.4
131.08566	2.1
133.06491	11.4
133.10117	2.1
134.09615	0.8
136.06209	6.3
137.05942	4.0
141.06973	2.0
143.08539	2.6
145.06488	2.6
145.10023	0.9
146.07233	1.3
147.04382	2.9
148.07556	1.1
149.06004	4.3
151.07538	2.8
152.05685	1.1
154.07767	1.3
157.06503	0.9
158.07202	1.1
158.99672	1.3
159.08070	2.4
159.11636	1.2
160.05135	1.3
161.05968	1.3
161.09680	4.1
163.07635	1.1
164.01765	1.5
165.02126	1.8
165.06985	1.3
165.09123	0.9
168.06491	0.8
169.06487	0.9
169.10094	4.2
171.08093	3.7
173.06001	8.6
174.06677	0.9
176.10646	0.9
177.05534	0.8
178.07416	1.1
178.11388	1.0
179.08531	1.5
182.07263	0.8
184.13344	0.9
186.06760	2.2
187.07545	2.1
187.11174	3.8
189.09114	100.0
191.07100	1.7
197.09656	6.3
201.09085	0.8
203.07120	1.1
204.10355	1.2
206.11771	16.6
215.10677	18.2
218.11636	1.3
232.13205	4.2
233.11752	11.9
236.12784	0.9
236.46614	0.8
238.13454	0.8
246.11327	0.9
247.09662	1.4
247.10609	1.3
247.13327	21.0
253.08823	0.8
264.12604	1.2
264.15982	14.9
265.10809	2.8
265.14511	1.6
282.13336	7.9
282.16260	4.6
282.22345	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01832	3.8
57.03420	5.8
61.63958	2.8
66.37156	2.7
67.05513	5.7
69.07060	22.8
69.19179	13.5
69.19598	16.0
79.05486	11.7
81.07058	6.6
85.28863	3.1
87.04476	3.7
91.05468	14.3
93.06993	3.1
97.06531	100.0
98.20757	5.7
119.04933	13.6
123.04433	4.5
129.09074	3.3
135.04492	3.4
135.11646	4.3
137.05972	79.9
147.04385	7.6
148.05171	9.8
149.05927	3.4
149.09555	2.9
152.14349	4.9
164.07092	9.5
177.09100	31.9
189.09108	19.0
206.11752	17.3
233.11726	83.4
235.13208	4.3
238.17964	23.0
247.13245	4.8
250.14479	3.7
264.15958	97.8
265.14316	7.9
282.17557	5.8
282.20627	32.7
291.61911	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	282.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01868	2.3
57.03424	4.2
58.81903	1.0
61.02919	2.7
67.05507	1.5
69.03431	1.3
69.07072	32.0
70.60790	3.0
71.04991	2.3
76.47987	1.0
79.05494	13.5
81.07061	2.0
88.83039	0.9
91.05486	14.7
93.23156	0.8
97.06532	66.9
107.04946	3.2
109.06519	2.4
111.08065	1.6
119.04942	12.7
121.06500	1.5
129.09135	11.3
133.06502	1.9
134.06024	1.5
135.04422	3.9
137.05980	100.0
147.04398	4.7
147.08113	1.0
148.05206	2.9
149.05922	1.2
150.86548	1.0
164.07031	2.9
177.09160	11.1
189.09132	16.9
205.51820	1.2
206.11761	10.0
215.10718	5.8
224.53676	1.1
233.11725	62.8
233.65929	0.9
247.13286	9.4
250.14409	2.8
264.15955	36.9
265.14352	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
56.96555	0.7
57.03434	1.2
61.02914	0.4
67.05505	0.7
69.03424	0.8
69.05804	0.4
69.07064	3.9
69.60295	1.9
70.06594	0.4
79.05477	0.6
81.07059	0.5
82.06562	0.4
84.08145	27.9
84.30532	0.3
85.02898	1.3
85.06544	0.7
94.04042	0.6
97.02911	0.5
97.06535	2.1
98.97594	2.3
103.07574	1.2
116.98566	0.5
117.07062	0.3
119.03582	2.2
120.08063	0.4
121.02863	0.5
123.04427	0.3
129.06973	0.3
129.09116	0.6
134.09666	0.7
136.06189	100.0
137.04575	0.8
137.06007	0.5
143.08632	0.4
150.05522	0.4
150.07777	2.3
158.99655	0.5
161.05902	0.4
162.05579	0.4
164.07068	0.7
170.99651	0.5
176.07069	0.4
177.07852	4.3
178.08643	0.4
206.11775	38.6
218.11761	0.7
220.60431	0.3
250.12979	23.3
251.12930	0.4
264.12372	0.5
264.15875	2.1
282.15628	51.8
282.22180	1.1
289.15918	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01640	0.5
54.98626	0.6
56.49923	0.4
56.96565	7.8
57.03423	0.7
61.02924	0.6
69.03419	0.8
70.18254	0.9
70.18652	1.1
71.95263	1.8
73.02910	0.9
83.77356	0.4
84.08144	3.7
85.02919	1.6
97.02899	1.2
98.97585	100.0
100.88416	0.4
110.97570	1.1
116.98623	37.2
121.11221	0.4
127.03953	0.9
128.98650	1.2
132.10297	0.5
134.99648	8.3
140.00211	0.6
143.08646	0.5
146.52504	0.5
147.08017	0.6
150.07764	4.2
153.00714	0.7
158.99614	0.9
172.11226	0.6
174.97627	0.4
175.07556	0.7
177.00685	0.4
177.07884	0.6
189.09190	0.7
190.12292	0.7
191.03918	0.6
191.54065	1.0
192.04343	0.5
196.08453	0.4
200.04437	0.8
200.54660	0.9
206.11720	3.7
216.98665	0.7
218.11795	1.5
234.99805	1.1
237.02916	0.8
240.98634	3.4
241.00729	0.4
246.11336	0.5
258.99768	39.1
277.00818	57.7
278.01227	0.4
279.01105	0.5
282.01501	0.9
282.13391	12.7
282.15826	0.6
282.19165	0.7
295.01953	0.6
300.02164	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98027	0.2
52.84587	0.2
54.98650	0.4
56.02184	0.2
56.96566	9.0
57.97344	0.2
61.32863	0.2
66.54234	0.2
71.31796	0.3
71.95269	2.8
72.98887	0.2
81.07043	0.2
98.97585	100.0
116.98623	61.0
119.01919	0.7
120.97906	0.2
134.09642	0.3
134.99661	25.1
140.00203	1.4
153.00711	2.7
158.01260	1.1
172.78903	0.2
177.00899	0.5
181.97371	0.3
186.99254	0.2
198.99117	0.3
216.98433	0.3
217.00212	0.6
217.02158	0.2
219.01993	2.5
220.02161	0.4
227.12154	0.2
234.99557	1.0
235.92184	0.2
236.98637	0.8
240.98566	4.0
258.99762	53.7
260.00031	0.4
261.02872	0.2
262.41428	0.2
277.00812	73.3
278.00964	0.6
279.01337	0.2
281.98734	0.2
282.01373	1.6
282.22214	0.7
295.01801	0.5
300.02316	2.6
301.00961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2474
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
50.87865	3.6
55.05513	57.8
57.07080	34.4
67.05505	50.0
69.03426	4.6
69.07063	100.0
69.72972	15.0
69.73389	8.0
70.10184	3.2
71.08630	18.0
79.05512	20.7
81.07053	77.3
82.07388	3.8
83.04972	7.3
83.08613	70.3
85.10152	4.4
91.05475	21.3
93.07033	25.0
95.08059	5.7
95.08610	74.5
95.87591	4.0
97.06526	14.0
97.10168	75.7
98.21423	6.1
98.97582	4.2
105.07017	20.8
107.08603	29.0
109.10151	32.3
111.11723	25.3
119.08576	27.9
121.10163	23.2
123.08047	6.2
123.11726	19.5
125.09618	6.9
125.13254	12.8
133.10139	31.3
133.21117	4.8
135.11656	23.9
137.09676	8.1
137.13234	7.7
139.11140	6.4
147.11703	22.6
149.13315	20.0
150.02669	4.6
151.02907	5.3
151.11119	12.4
151.14877	5.9
153.12743	5.5
161.13222	17.7
163.14832	11.5
165.12732	11.1
165.16338	7.0
167.14394	4.4
175.14821	15.2
179.14282	12.1
179.18024	5.5
183.86377	5.0
185.15440	4.2
189.16344	13.1
193.15933	9.4
221.18825	4.0
221.22556	9.1
225.25548	3.8
236.35747	4.0
245.22659	58.6
263.23718	61.0
281.05237	4.5
281.19089	18.1
281.21667	4.2
282.27902	4.9
284.82877	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	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26954	0.6
51.02375	1.2
53.03942	5.4
53.09039	0.8
55.01872	4.5
55.05511	32.5
57.03438	32.5
57.07084	1.4
59.04991	1.3
63.49932	0.8
64.99923	0.7
65.03944	4.1
67.05505	87.4
69.03429	1.8
69.07068	16.3
70.02918	3.2
71.04992	2.9
73.06564	1.3
74.29694	0.7
77.03928	2.0
79.05492	100.0
81.03416	11.8
81.03858	1.1
81.07056	61.7
83.04981	30.5
83.08616	10.5
85.02875	1.2
85.06538	3.0
86.97895	0.7
87.04438	0.7
91.05480	67.0
93.07044	72.4
95.04366	1.3
95.04968	24.3
95.08605	39.2
97.02864	1.0
97.06538	7.0
97.10190	4.6
97.52249	0.8
98.97573	1.0
99.08096	1.1
103.05424	0.9
105.04525	2.4
105.07030	49.5
107.04973	5.8
107.05585	1.0
107.08595	18.0
109.06522	9.5
109.10135	6.7
111.08092	2.6
111.11777	0.7
113.05991	1.2
115.05441	1.8
117.07016	10.1
119.08582	32.5
121.06523	3.5
121.10146	4.8
123.08068	7.7
123.11648	0.8
125.09702	0.8
127.07546	2.0
128.06218	2.8
129.07004	19.5
129.07916	1.3
130.07784	0.8
131.08563	4.0
133.06427	1.1
133.10138	13.3
135.11710	3.3
137.09621	0.8
141.09131	1.1
143.08572	9.9
145.10129	12.5
147.08051	2.9
147.11685	42.0
149.77841	0.7
157.07800	0.6
159.11717	1.6
161.09619	6.1
161.13245	19.1
163.11234	1.9
163.31439	0.8
165.09114	0.9
171.11694	39.6
179.14330	1.6
181.68219	0.7
183.35103	0.7
189.12740	14.2
206.75195	0.9
207.13834	18.2
225.14816	0.9
281.17471	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.81810	1.5
53.03940	9.1
55.01859	5.5
55.05268	2.3
55.05515	32.5
55.06878	1.5
57.03159	1.8
57.03439	34.3
57.07076	2.0
58.08654	1.4
62.53560	1.4
65.03930	5.7
67.05506	91.5
67.87829	1.3
69.03424	2.0
69.06790	1.5
69.07072	17.1
70.80480	2.9
71.04990	4.3
73.06538	2.7
74.12308	1.5
79.05495	100.0
81.03426	15.8
81.07060	74.2
83.04984	36.3
83.08624	12.1
85.06535	3.3
91.05482	73.2
93.07049	87.8
95.04972	31.8
95.08606	39.4
97.06525	9.4
97.10166	7.2
98.20803	1.4
103.05438	1.6
105.04490	2.0
105.07034	59.4
107.04972	8.2
107.08602	30.7
109.06529	10.1
109.10152	9.5
111.08047	2.6
115.05401	2.1
117.07018	8.7
119.08585	32.5
121.06512	3.4
121.10154	5.9
123.08080	10.2
127.07593	2.0
128.06204	2.2
129.06998	21.2
131.08551	4.8
133.06528	2.1
133.10136	17.5
135.11687	2.5
141.09073	1.8
143.08588	7.8
145.10101	13.7
147.08003	3.1
147.11690	56.8
152.04927	1.6
159.20325	1.7
161.09648	5.5
161.13280	21.3
171.11700	42.7
177.12779	1.6
179.14305	2.1
189.12764	13.5
207.13805	22.6
281.17477	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03946	10.9
55.01871	4.5
55.05516	34.8
57.03440	33.6
65.03938	4.5
67.05507	96.3
69.07074	20.2
69.21201	22.6
71.04974	3.3
77.03932	2.5
78.04858	2.0
79.05493	100.0
81.03407	15.7
81.07056	67.9
83.04978	34.7
83.08617	12.1
85.06544	4.4
85.32417	2.3
91.05482	80.1
93.07043	74.2
95.04962	26.1
95.08608	43.8
97.06549	6.8
97.10144	2.9
98.97559	4.2
105.04446	3.1
105.07034	56.4
107.04992	10.3
107.08591	25.4
109.06506	7.5
109.10137	8.2
117.07007	12.7
117.53191	1.9
119.08588	34.5
119.28283	1.9
121.06488	2.6
121.10116	7.5
123.08085	12.7
127.07607	3.8
128.06232	4.0
129.07027	19.3
131.08542	3.0
133.10118	17.7
135.08098	2.2
135.11694	3.7
137.06004	2.2
141.60344	2.3
143.08563	9.0
145.10103	12.1
147.08028	4.8
147.11690	48.4
161.09645	6.2
161.13258	22.0
171.11688	35.9
189.12744	14.9
200.12341	2.6
207.13841	21.4
257.13913	2.7
281.17490	78.4
289.36475	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03947	9.0
55.01851	4.8
55.05510	33.7
56.96566	8.7
57.03438	24.3
57.07061	2.8
65.03931	4.8
67.05506	81.7
69.03414	4.4
69.07064	20.6
71.04970	4.2
71.56635	2.1
73.06541	2.3
79.05493	100.0
81.03422	20.0
81.06593	3.2
81.07056	64.1
83.04983	36.1
83.08629	10.9
85.02898	2.1
85.06525	4.0
91.04896	2.8
91.05478	65.6
93.07045	67.9
95.04967	27.1
95.08610	46.8
97.02855	2.0
97.06541	8.1
97.10149	5.3
98.97559	4.9
103.05405	1.7
105.04475	1.7
105.07034	50.1
107.04930	6.8
107.08595	24.6
109.06517	10.0
109.10153	10.0
111.08079	3.7
115.05476	1.9
117.07003	11.7
119.07793	2.4
119.08580	31.7
121.06490	4.5
121.10155	7.2
123.08065	9.8
127.07574	1.6
128.06216	3.4
129.07001	20.8
131.08531	4.3
131.24615	1.6
133.06470	2.1
133.10136	15.3
135.07993	2.5
135.11650	4.5
137.09610	2.8
139.07565	1.5
143.08557	8.9
145.10109	14.2
146.69208	1.8
147.08029	4.8
147.11687	41.4
149.02296	2.3
150.02644	3.5
151.02806	3.0
151.11140	2.2
152.52675	1.5
157.10094	2.2
158.99513	2.3
159.11546	1.4
161.09630	9.6
161.13242	18.0
163.11125	2.5
165.09088	2.1
171.11700	36.3
179.14322	2.7
185.13182	1.8
189.12723	13.4
191.14435	1.5
203.14291	1.5
207.13780	13.9
243.08600	1.7
247.47231	1.6
253.18065	2.0
263.16379	3.8
281.05276	1.9
281.13763	5.2
281.17426	65.2
299.11484	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	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.4
55.01875	5.7
55.05264	2.4
55.05514	31.8
56.96562	8.0
57.03438	29.5
57.07069	4.1
59.04999	1.5
65.03930	3.5
67.05507	81.4
69.03431	2.1
69.07067	19.1
69.23627	16.0
71.04990	4.9
73.06553	3.6
77.03912	1.7
79.05496	100.0
81.03420	15.2
81.07058	67.3
83.04984	32.1
83.08616	10.2
85.06528	4.0
87.04544	2.0
91.05483	73.0
93.07045	74.4
93.07628	3.7
95.04974	26.6
95.08606	44.2
97.06541	8.7
97.10165	6.4
98.97546	4.8
105.04564	2.5
105.07033	53.8
107.04964	11.7
107.08591	30.0
109.06512	10.1
109.10176	11.4
111.08102	2.7
115.05348	1.9
116.98660	2.5
117.07018	11.0
119.07720	1.5
119.08587	32.5
121.06524	6.2
121.10170	8.0
123.08055	10.7
125.06006	2.1
127.07513	1.9
128.06212	4.0
129.07005	19.9
131.08577	6.8
133.10150	16.7
135.11671	3.4
142.07837	1.8
143.08559	14.1
145.10141	13.6
147.08134	3.7
147.11682	43.6
149.02452	2.0
149.09695	1.8
151.02800	4.6
156.09325	2.2
159.11813	1.8
161.09622	6.4
161.13237	21.1
163.11124	2.6
171.11696	33.8
179.14334	2.5
189.12733	16.1
207.13803	18.5
227.63667	2.0
231.57944	2.5
263.12619	10.2
263.16470	3.5
263.23755	2.2
281.10693	3.7
281.13654	30.9
281.17493	74.0
299.11688	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	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02375	0.7
51.17206	0.5
53.03950	6.3
55.01864	5.6
55.05511	33.5
57.03438	31.6
57.07072	1.9
59.05012	0.8
65.03932	5.1
66.51431	0.6
67.05505	88.2
69.03422	1.5
69.07069	16.8
70.95399	0.9
70.95731	1.0
71.05002	2.9
73.06562	2.2
77.03929	2.0
79.05494	100.0
81.03421	11.8
81.07057	60.1
83.04982	36.4
83.08623	9.8
85.02914	1.3
85.06544	3.2
86.07407	0.7
87.04480	1.1
91.05481	65.0
93.03318	0.6
93.07044	78.3
95.04971	27.3
95.08608	37.4
95.09241	0.9
97.02884	1.5
97.06529	7.2
97.10159	5.9
99.08060	1.4
101.06047	0.7
103.05453	1.7
104.99204	0.6
105.04519	2.7
105.07032	47.2
107.04961	5.7
107.08594	21.2
109.06522	9.6
109.10155	7.2
111.08075	1.9
115.05470	2.0
117.07021	11.3
119.08582	31.3
121.06529	4.9
121.10146	4.8
123.08086	8.7
127.07558	2.2
128.06223	3.7
129.07005	20.0
131.08559	3.3
132.19649	0.6
133.06482	1.1
133.10132	14.4
135.08054	1.2
135.11725	2.9
137.09619	1.1
139.30623	0.6
141.09132	1.7
142.07680	0.9
143.08565	10.5
145.10121	13.5
147.08061	3.2
147.11688	45.5
156.09357	1.3
159.11722	0.9
161.09637	7.0
161.13266	16.6
161.14603	1.0
163.11208	2.4
165.09171	0.9
169.10222	0.8
171.11687	37.6
179.14304	1.1
185.08493	0.6
189.12743	16.2
207.13814	17.2
225.14807	0.9
281.17471	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29116	2.9
52.51639	2.9
55.05506	8.3
56.96560	9.8
57.03434	9.2
57.07080	77.8
61.02928	3.8
63.04496	32.6
67.05499	8.5
69.03442	16.4
69.07060	7.1
69.28078	25.5
71.04979	4.1
76.64170	3.1
77.24133	3.4
79.05500	9.8
81.03450	7.8
81.07056	8.2
83.08643	3.5
84.08134	5.7
85.02913	39.2
86.05939	3.3
86.09696	4.8
86.50798	3.1
91.05473	16.9
91.43988	3.4
93.07075	4.4
93.87883	3.4
97.02885	9.4
97.06564	5.9
98.97594	12.7
99.04408	3.7
105.07042	9.1
107.04970	4.2
107.08636	4.9
109.02898	13.9
110.97581	4.5
111.45280	3.8
117.07062	4.2
119.08625	6.6
119.10703	100.0
120.08137	3.7
121.06504	3.4
121.10244	3.8
127.03933	8.1
128.98660	4.1
130.06578	3.6
131.08574	4.9
133.10110	10.0
137.05994	7.8
143.08531	3.9
150.02716	4.5
151.02817	4.4
151.11203	3.8
160.52533	3.3
161.09625	6.9
162.84955	3.1
179.10736	3.6
189.09155	7.6
207.10118	3.9
219.10161	3.2
219.12151	6.1
223.11693	8.1
225.11165	3.4
237.02901	4.7
251.06239	3.7
251.08723	5.0
263.14789	13.2
264.15912	4.1
267.43576	3.6
281.16226	28.4
281.18832	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	281.136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09093	2.9
54.01048	3.3
54.51847	3.1
55.05501	14.4
56.96558	15.6
57.03440	5.8
67.05508	28.1
69.03397	4.5
69.07055	9.9
71.56239	3.5
76.93606	3.6
79.05502	26.2
81.03429	12.4
81.07056	20.0
83.04989	6.0
83.08598	8.2
85.06540	4.7
88.54861	3.3
91.05456	19.3
93.07045	12.3
95.04966	7.5
95.08598	13.0
96.01850	5.2
97.06509	6.4
97.10130	4.1
98.97581	12.2
105.07027	15.6
107.08614	13.6
109.02797	4.2
109.10142	7.5
113.00893	3.7
116.98631	7.0
117.06969	4.2
119.08539	13.4
121.06481	4.4
121.10125	6.9
123.00594	4.1
123.08103	4.2
125.02103	3.8
127.05394	3.2
131.01901	6.6
131.08603	4.1
133.10115	8.9
135.08046	5.0
135.11613	3.9
136.93097	6.8
143.08582	7.0
145.10121	7.4
147.11678	9.5
149.02373	6.3
150.02737	6.7
151.02841	5.4
151.11211	5.0
154.94058	5.2
159.11746	4.2
161.09669	4.5
168.95692	7.0
171.11658	5.9
171.86096	4.2
182.31511	3.7
186.96825	15.7
189.12733	6.2
203.14343	4.7
204.97942	4.1
209.11458	32.5
218.05829	6.5
221.15393	5.0
227.06450	4.6
231.13718	5.2
239.04425	4.2
249.14923	9.2
249.18347	5.1
263.12540	13.1
263.16489	7.0
281.00797	3.7
281.05399	5.9
281.13708	100.0
281.16791	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	280.1545
Annotation	Caulophyllumine A
Peak:m/z	Relative Intensity
55.01867	0.9
61.02651	0.7
61.02932	8.1
61.89223	0.3
64.57436	0.3
70.85393	0.9
78.26092	0.5
84.08147	4.1
87.04472	0.9
91.05476	2.1
93.07072	0.4
96.04489	0.7
103.05482	0.6
105.07028	3.1
107.08608	0.6
115.05424	0.6
117.07009	1.4
119.04934	0.6
119.08580	3.1
123.04441	0.3
128.06233	1.0
129.06143	0.6
129.07019	6.1
131.04912	0.7
131.08553	3.0
132.05692	0.6
133.06531	0.9
135.08014	0.4
136.07561	0.8
141.07021	0.4
142.07780	1.5
143.08636	0.4
145.06494	0.6
145.09058	0.5
145.10164	1.4
147.04367	1.1
147.08044	6.8
149.05981	1.2
149.09607	1.3
155.08560	0.6
157.06500	2.5
157.10135	1.6
158.07256	0.6
159.08043	3.0
160.05211	2.7
161.05984	3.1
162.06754	0.5
164.06979	0.4
165.09114	0.5
167.08586	0.9
170.07274	0.5
173.06006	0.5
173.09630	0.9
174.06795	1.0
174.12764	2.2
175.07550	13.8
177.09114	4.9
179.07159	0.4
184.05103	0.5
185.05981	0.5
185.09644	2.4
187.07513	0.7
189.09181	2.4
191.07008	0.8
191.10712	1.7
195.08000	0.7
199.96268	0.4
201.09114	1.5
202.06302	0.7
202.12254	2.7
203.07059	2.9
203.10666	2.8
205.08626	1.8
212.10669	0.6
213.09094	1.8
215.10677	0.4
216.07822	1.0
217.08481	0.5
219.10162	2.4
230.11761	3.6
231.10233	1.1
233.11798	0.5
234.14934	0.5
244.13396	1.1
245.11765	0.5
248.12779	2.6
262.14349	5.1
263.12796	0.7
271.57193	0.4
280.15445	100.0
281.15799	0.7
286.15637	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1545
Annotation	Metalaxyl-M
Peak:m/z	Relative Intensity
51.94647	0.3
53.73083	0.4
55.01862	1.3
61.02648	0.6
61.02929	7.4
69.91216	1.9
71.04989	0.4
84.08142	4.4
87.04462	1.2
91.05490	2.0
98.21386	0.5
105.07034	3.1
107.46618	0.4
115.05399	0.5
117.07025	1.4
118.94073	0.4
119.04918	0.7
119.08579	2.8
128.06215	0.9
129.06149	0.6
129.07016	6.4
131.04913	0.7
131.08574	2.9
132.05679	0.7
133.06493	0.7
136.07594	0.4
137.05994	0.5
141.07024	0.4
142.07756	1.4
145.06526	0.8
145.10117	1.0
147.04381	0.8
147.08046	8.2
149.05981	1.0
149.09605	1.0
155.08620	0.7
157.06497	3.5
157.10115	1.4
159.08043	2.6
160.05190	2.8
161.06003	3.4
163.06306	0.5
164.06996	0.5
165.09064	0.5
167.08623	0.5
170.07201	0.6
173.05968	0.8
173.09630	1.3
174.06758	1.1
174.12769	1.7
175.07556	11.4
177.09142	3.2
179.07063	0.5
184.11159	0.5
185.06006	0.7
185.09599	2.1
187.07510	1.2
187.11179	0.4
189.09154	1.0
191.06985	0.7
191.10632	2.1
195.08075	0.6
201.09177	0.7
201.39101	0.4
202.12292	2.2
203.07085	2.2
203.10651	2.3
205.08653	1.0
212.10785	0.6
213.09108	0.8
216.07831	1.1
217.08553	0.5
218.08130	0.4
219.10223	2.0
230.11765	2.8
231.10201	0.9
234.14879	0.6
237.11108	0.6
244.13286	1.8
245.11807	1.2
248.12807	6.6
252.44582	0.5
262.14438	4.8
263.12784	0.7
264.13101	0.4
265.99408	0.4
280.15442	100.0
281.15784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03933	1.0
55.05505	8.7
57.07065	3.8
65.03923	3.4
66.14815	0.8
67.05507	94.2
69.06789	0.8
69.07074	8.8
69.72532	3.3
69.72943	1.9
79.05490	8.4
81.07059	100.0
83.05006	1.1
83.08608	4.8
91.05470	3.0
93.07050	8.0
93.15231	0.8
95.08611	76.3
97.10151	3.1
105.07019	2.0
107.08598	6.0
109.10159	48.8
110.85617	0.9
117.07029	1.1
119.08596	2.6
121.10123	4.2
123.08070	1.7
123.11714	29.9
125.09603	1.6
127.07529	1.3
131.08546	3.0
133.10135	2.1
135.11702	3.3
137.13264	11.0
145.10109	2.4
147.11670	1.7
149.02354	26.6
149.13237	3.3
151.11214	1.7
151.14801	1.8
159.11732	1.7
161.13292	1.7
163.14815	1.8
165.16403	1.1
169.01201	0.9
173.13257	3.7
177.16406	1.2
179.14311	1.6
181.12242	1.3
187.14830	3.3
189.52013	1.0
191.14371	1.7
195.13867	2.0
205.15823	1.8
209.15372	3.0
223.16997	2.3
237.18422	1.3
243.21065	2.7
261.22070	4.0
269.12250	0.9
279.23193	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.00326	0.8
55.05506	6.6
57.07067	2.3
59.78494	0.9
62.08907	1.1
65.03923	3.3
65.18200	0.8
67.05505	92.2
69.07069	9.0
69.98825	4.7
69.99155	1.3
71.04966	1.4
79.04704	0.9
79.05489	12.7
81.07056	100.0
83.08604	5.5
85.06520	2.8
85.57802	1.0
91.05485	4.4
93.07050	11.9
94.78748	0.9
95.08608	90.3
97.06530	2.2
97.10134	2.8
98.21425	1.5
99.08069	1.1
105.07014	2.8
107.08592	8.0
109.06510	1.0
109.10149	29.4
111.11710	1.4
117.07001	1.1
119.07664	0.7
119.08566	3.9
121.10140	7.7
123.08097	1.5
123.11693	17.3
128.80038	0.8
131.08572	5.4
133.10130	2.1
135.11688	5.2
137.13255	15.6
137.48082	1.1
145.10136	2.9
147.11711	2.0
149.02298	0.9
149.09605	2.1
149.13272	4.8
151.14807	4.2
159.11705	2.2
161.13268	2.3
163.11125	2.2
163.14793	2.1
165.12807	1.3
165.16389	1.5
167.10678	1.5
172.05745	0.9
173.13263	8.7
177.12848	2.0
177.16422	1.2
179.14384	1.5
181.12177	2.3
187.14815	3.4
191.14348	3.1
195.13792	3.3
200.24710	1.0
201.16359	1.2
203.45605	1.0
209.15340	6.3
223.16899	3.9
237.18500	1.3
243.21094	3.8
261.22159	3.7
279.23187	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	279.1704
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
52.03661	0.4
55.05486	0.4
57.07077	3.7
58.07852	0.4
67.05522	0.7
69.00883	0.4
69.03424	0.4
69.07059	0.9
69.86798	1.7
79.05488	0.5
81.07050	1.4
86.09708	100.0
91.05500	0.6
93.07053	0.7
95.08619	0.7
97.06551	0.7
98.97586	1.9
103.05466	1.0
107.08593	0.8
109.06528	0.6
112.99133	0.4
116.98549	0.4
119.08593	0.4
120.08109	22.8
121.02901	0.6
135.08110	0.4
136.07593	1.8
138.09164	0.9
149.02345	26.1
154.08629	2.0
156.55664	0.3
158.99678	0.4
160.71164	0.3
162.12825	0.3
166.07224	0.5
166.08638	9.7
169.12883	0.3
207.30025	0.4
233.16576	1.1
258.08582	0.4
261.13138	0.5
279.14108	0.5
279.17053	6.0
280.15533	0.9
281.46902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1374
Annotation	(4E,6E)-1-(4-hydroxyphenyl)-7-phenylhepta-4,6-dien-3-one
Peak:m/z	Relative Intensity
50.78281	0.6
53.76514	0.6
55.05512	32.0
57.07059	4.1
58.99296	0.7
58.99586	13.2
67.05485	0.7
71.26649	1.0
71.26987	0.9
73.01126	1.5
76.02232	5.6
76.03992	3.4
79.05460	0.8
83.08617	25.6
84.04461	0.6
86.99046	11.7
88.02194	3.6
96.88795	0.8
99.02679	0.9
101.09657	1.0
112.23604	0.6
116.01675	49.0
121.02885	1.2
130.04988	1.2
144.01141	22.0
149.02338	25.5
159.08380	7.0
162.02203	100.0
169.89503	0.6
174.05414	0.7
232.17598	0.6
238.09412	0.6
244.10075	1.9
246.88559	0.7
262.11084	30.6
279.13785	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	279.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42677	0.5
56.96294	1.0
56.96560	11.2
57.03447	0.5
57.07063	1.8
69.03423	0.8
70.98135	0.8
71.00951	1.1
71.08627	0.4
71.95261	0.6
81.31577	0.5
82.99822	0.5
84.11050	0.5
84.96027	1.8
85.02905	1.2
85.98480	0.4
97.02889	0.7
98.97581	100.0
102.96863	2.7
110.97564	18.2
112.99120	1.8
116.98616	27.8
120.97887	1.0
121.02902	0.4
124.99108	4.7
128.78885	0.5
128.98595	13.8
131.00177	0.9
132.98007	0.5
134.99664	5.4
140.00175	0.7
140.98590	2.9
143.00156	7.1
144.98035	0.5
145.04929	0.5
146.99661	5.2
148.03955	0.5
149.02321	11.7
155.00150	0.6
158.99652	39.2
161.01205	2.4
165.00777	0.6
170.99660	9.6
173.01292	0.5
174.99158	0.5
177.00708	33.7
182.99680	0.7
189.00697	18.7
195.01753	1.4
200.02306	0.5
201.00673	1.2
207.01770	9.1
218.99806	0.7
219.01759	9.1
237.02821	28.7
249.02786	0.6
255.03867	19.4
260.95892	0.7
260.99744	0.6
261.02820	0.8
278.96967	4.5
279.03854	19.6
296.97800	1.8
297.04892	9.7
302.24063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46294	0.3
54.98629	0.4
56.96566	12.3
61.48248	0.3
70.15016	1.2
70.15364	0.3
71.95257	1.0
74.97619	0.4
84.96039	3.4
86.97611	0.4
98.20835	0.4
98.97585	100.0
99.97906	0.6
102.96902	0.4
110.96829	0.6
110.97573	9.3
112.99133	2.5
116.98622	27.1
119.01891	0.5
124.99112	6.0
126.96983	0.3
128.98602	5.8
131.00175	1.0
134.99649	3.9
136.99086	0.4
139.00667	0.6
139.53935	0.3
139.61996	0.3
139.94682	0.3
140.00163	0.8
140.98593	3.5
143.00169	10.4
144.98117	0.8
146.99605	1.5
155.00169	0.8
156.98138	0.4
158.99657	41.7
161.01237	3.6
170.99686	3.0
174.99130	0.6
177.00717	32.6
189.00723	5.2
195.01759	1.7
200.02295	0.6
201.00697	0.8
207.01756	2.3
219.01762	14.3
220.44905	0.3
232.91389	0.7
237.02821	47.1
237.95212	0.5
255.03882	29.0
255.96237	2.0
257.02573	0.6
260.04446	1.2
260.99612	0.5
266.94650	0.3
273.04825	0.9
278.05554	0.7
279.03857	25.6
297.04929	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	279.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46294	0.3
54.98629	0.4
56.96566	12.3
61.48248	0.3
70.15016	1.2
70.15364	0.3
71.95257	1.0
74.97619	0.4
84.96039	3.4
86.97611	0.4
98.20835	0.4
98.97585	100.0
99.97906	0.6
102.96902	0.4
110.96829	0.6
110.97573	9.3
112.99133	2.5
116.98622	27.1
119.01891	0.5
124.99112	6.0
126.96983	0.3
128.98602	5.8
131.00175	1.0
134.99649	3.9
136.99086	0.4
139.00667	0.6
139.53935	0.3
139.61996	0.3
139.94682	0.3
140.00163	0.8
140.98593	3.5
143.00169	10.4
144.98117	0.8
146.99605	1.5
155.00169	0.8
156.98138	0.4
158.99657	41.7
161.01237	3.6
170.99686	3.0
174.99130	0.6
177.00717	32.6
189.00723	5.2
195.01759	1.7
200.02295	0.6
201.00697	0.8
207.01756	2.3
219.01762	14.3
220.44905	0.3
232.91389	0.7
237.02821	47.1
237.95212	0.5
255.03882	29.0
255.96237	2.0
257.02573	0.6
260.04446	1.2
260.99612	0.5
266.94650	0.3
273.04825	0.9
278.05554	0.7
279.03857	25.6
297.04929	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	278.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97079	1.2
55.01866	3.7
55.05510	3.6
56.05024	3.7
56.96557	4.0
57.03438	3.2
57.07060	3.7
58.06613	7.3
59.04999	1.7
60.04525	2.7
65.03945	1.3
67.05511	6.3
69.03416	1.9
69.07072	9.5
69.80223	5.8
70.06596	1.5
71.04990	3.6
71.08657	1.8
72.08158	2.2
73.02956	1.2
74.06071	4.4
79.05505	12.0
80.05804	2.7
81.03410	5.1
81.07063	10.2
83.04956	1.3
83.08615	3.8
84.93053	1.1
85.02895	1.5
86.06060	3.7
87.04448	1.8
88.07639	27.2
91.05492	13.6
93.07043	4.7
95.04985	3.2
95.08602	4.5
96.08897	1.4
97.02854	1.8
97.06536	62.9
98.06870	12.2
98.97581	5.5
104.07094	3.1
105.07024	6.1
107.04934	2.9
107.08599	5.4
109.06549	2.3
109.10172	1.8
110.99931	1.5
111.04466	1.5
119.04940	5.3
119.08616	3.6
121.10156	5.3
122.10531	1.3
129.07042	1.6
131.08575	4.6
132.10211	7.9
133.06532	3.4
133.10126	5.3
135.04457	2.8
137.05986	34.4
139.14767	1.4
147.04398	3.5
147.11708	4.5
149.02350	9.7
149.09624	3.8
157.10161	4.5
158.99745	1.3
160.04771	1.4
161.05872	1.7
161.09572	1.7
162.02710	2.6
162.11249	1.9
163.03937	5.5
164.04242	8.7
164.07092	3.2
166.10796	2.9
169.95575	1.4
173.02391	2.5
173.06039	1.5
174.02678	6.0
175.11240	3.9
182.08101	5.9
186.18533	38.4
189.09119	33.4
191.03455	2.9
192.03778	5.0
193.12231	9.0
199.13387	1.9
200.84012	1.1
211.13297	39.0
215.10727	2.8
216.07407	10.8
216.10242	2.7
225.14816	2.2
230.21185	13.9
232.09459	1.4
233.11734	21.0
234.08856	2.2
234.11308	16.3
260.10043	16.0
260.12930	6.0
260.22275	1.8
269.12375	1.4
278.13879	29.0
278.23315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.46047	1.3
52.78987	1.3
53.03941	5.9
55.01863	2.6
55.05270	1.6
55.05513	21.7
56.96570	10.9
57.03440	3.2
57.07073	8.9
58.47135	1.2
65.03951	2.2
66.54531	1.4
67.05505	36.4
68.05849	2.0
69.03454	1.8
69.07066	18.6
69.82446	6.3
70.06591	4.5
71.05019	1.8
71.06928	3.9
71.08625	4.9
73.06571	1.3
79.05495	71.9
80.05846	2.8
81.03428	2.0
81.07058	40.2
83.04984	3.6
83.08601	10.5
85.06541	3.5
88.07630	3.8
89.07974	3.6
91.05482	35.2
92.05817	2.5
93.07044	87.8
94.07358	1.8
95.04958	8.7
95.08609	31.9
96.08952	1.5
97.06515	7.4
97.10175	5.7
98.97590	7.2
99.08079	3.1
105.07034	23.6
106.07324	3.3
107.04980	2.8
107.08587	49.7
108.09027	4.1
109.06519	4.7
109.10165	14.4
112.99157	1.6
114.02486	1.2
116.98684	2.2
117.07037	5.4
119.08582	16.6
120.08886	2.0
121.06505	2.1
121.10143	47.9
123.08096	4.5
123.11745	5.0
129.07022	3.1
131.00209	2.2
131.08559	8.0
133.10141	15.5
134.10475	3.2
135.08084	2.3
135.11694	40.2
136.12025	1.5
137.05959	2.6
137.09648	2.6
143.08589	3.9
145.10146	6.1
147.08076	2.1
147.11711	12.2
149.02400	3.8
149.09674	2.7
149.13263	23.3
151.11235	2.5
151.30373	1.4
157.10144	3.3
158.99695	3.8
159.11717	5.1
160.12248	1.9
160.38731	1.4
161.09679	2.5
161.13274	7.6
163.11244	4.5
163.14842	5.0
165.12755	1.5
167.10677	1.6
171.11739	3.3
172.28635	1.2
173.13301	2.5
175.11200	2.4
175.14938	2.1
177.00784	2.7
177.12762	2.6
179.10728	1.5
185.13278	4.5
187.14832	1.3
189.12778	2.9
193.12248	1.6
203.17947	1.7
213.16357	2.3
215.07079	1.4
217.19559	1.4
221.15454	2.3
231.20958	1.6
235.17078	4.8
241.19312	3.0
259.09714	2.5
259.17273	1.3
259.20538	7.5
259.27451	2.8
277.08832	1.9
277.11597	3.9
277.14554	6.7
277.21628	100.0
277.28271	82.8
295.12268	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	277.2162
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
51.58883	0.7
53.03939	3.4
55.01862	3.6
55.05271	1.1
55.05513	17.7
55.05779	0.6
57.03433	2.2
57.07066	3.0
65.03929	1.0
67.05508	41.7
67.97594	0.8
69.03412	0.9
69.07073	15.1
70.80850	2.0
71.04981	1.9
71.08634	29.9
73.06537	0.8
77.03915	1.4
79.05498	58.6
81.03419	5.6
81.07062	50.7
83.04982	6.0
83.08617	7.6
85.06516	2.4
86.91970	0.9
91.05486	27.6
93.07047	90.0
95.04979	9.2
95.08611	33.1
97.06538	6.2
97.10152	2.9
99.07497	1.2
99.08102	22.8
105.04507	1.2
105.07029	18.7
107.04972	5.4
107.08601	47.3
109.06522	3.2
109.10157	10.9
111.08069	2.4
113.09650	1.3
117.07021	3.4
119.08598	11.7
121.06490	2.1
121.10152	42.2
123.08057	1.9
123.11707	3.4
125.09591	1.0
129.07018	1.1
131.08562	4.8
133.10147	10.0
135.08105	1.5
135.11696	51.0
137.09621	3.0
139.39821	0.8
141.09120	2.2
143.08559	2.4
145.10115	5.0
147.08066	1.2
147.11687	6.3
149.09602	1.2
149.13268	17.1
151.11188	12.0
153.12830	1.2
157.10152	3.2
159.11685	3.7
161.09647	1.2
161.13266	9.3
163.11177	5.3
163.14819	4.5
167.10655	2.8
171.11671	3.5
173.13277	1.0
175.11183	1.1
175.14839	2.2
177.12781	3.6
177.16333	0.8
179.14316	45.0
181.12183	1.7
185.13257	2.7
187.14665	0.9
189.12709	2.3
195.13794	1.6
199.14848	2.7
203.14380	0.9
207.13820	1.4
217.15823	1.0
221.15317	4.0
231.17458	1.1
235.16925	2.9
241.19452	1.8
259.20532	5.7
277.21634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03935	5.1
54.51577	1.4
55.01858	4.4
55.05276	1.7
55.05514	18.9
57.03438	1.6
57.07059	5.0
59.71353	1.3
67.05505	39.9
69.07070	18.2
69.78464	1.2
69.78783	8.4
71.04987	2.7
71.08620	7.7
71.93037	1.3
74.65120	1.3
77.03909	1.4
79.05496	68.5
81.06587	2.1
81.07059	37.8
83.04980	4.1
83.08632	10.2
85.06570	2.5
91.05486	30.9
91.71955	1.4
93.07046	95.4
95.04981	6.7
95.08059	2.2
95.08607	27.3
97.06508	3.0
97.10144	4.5
99.08088	6.7
101.05962	2.1
105.04510	1.9
105.07037	16.0
107.08595	42.6
109.06519	3.4
109.10161	13.1
111.08091	3.6
117.07018	4.6
119.08573	12.5
121.10145	41.3
123.08054	2.7
123.11685	4.8
129.06973	1.8
131.08583	6.3
133.10141	15.2
133.81458	1.4
135.08060	4.4
135.11699	47.1
137.05936	3.3
141.12674	1.6
142.17514	1.3
143.08536	2.4
145.10149	8.3
147.11708	7.2
149.09621	2.0
149.13264	20.3
151.11148	5.2
157.10097	2.5
159.11720	4.7
161.09610	1.9
161.13248	7.9
163.11186	5.2
163.14842	6.0
165.12767	2.8
171.11729	4.2
173.13283	2.4
175.14839	2.2
177.12758	2.0
179.14304	1.5
181.12263	2.2
185.13213	2.9
189.12697	2.0
195.13814	2.2
199.14723	2.0
207.13744	2.9
213.16304	1.8
221.15364	4.7
231.17426	2.4
231.21043	2.2
235.16846	4.2
241.19432	4.2
249.22197	1.8
259.20605	6.1
270.00995	1.6
277.18423	5.1
277.21631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
50.76322	0.8
51.02347	1.0
53.03942	4.2
55.05261	1.5
55.05513	18.6
56.36341	0.9
57.07062	3.2
58.41333	1.0
67.05508	27.4
69.07073	15.0
69.27892	9.3
69.28217	1.4
71.04981	1.8
77.03924	1.6
79.05498	74.9
79.30836	0.9
81.07059	29.5
82.80108	1.0
83.04958	1.5
83.08617	6.6
85.06545	2.0
91.05487	27.6
93.07050	100.0
95.04955	3.9
95.08054	1.7
95.08614	24.1
97.06534	1.7
97.10178	4.8
98.20688	2.0
105.04510	1.2
105.07041	15.1
107.08599	47.2
109.06498	1.6
109.10157	11.1
117.07007	3.3
119.06053	1.0
119.08602	10.1
121.10149	41.8
121.11032	2.0
123.11723	2.5
129.07025	2.5
131.08549	3.9
133.10129	8.8
135.11700	47.0
137.09634	1.6
143.08598	1.6
145.10126	2.5
147.11694	6.3
149.09636	1.2
149.13269	22.0
157.10150	2.2
159.11700	3.1
161.13268	5.0
163.14847	5.3
171.11671	2.0
173.13272	2.3
175.14830	2.0
185.13229	3.1
186.79633	1.0
193.12341	1.7
195.13693	1.9
199.14922	1.4
203.14294	1.0
213.16484	1.2
214.61519	1.1
217.15881	1.1
221.15413	4.3
231.21033	1.2
235.16875	4.2
241.19553	2.8
259.20630	3.5
263.98141	1.1
277.21640	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	277.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24446	1.3
53.03949	6.5
55.01856	1.5
55.05513	19.0
56.57795	1.1
57.07076	2.4
58.08065	1.3
65.03927	1.4
67.05504	33.4
69.07066	14.3
69.82357	4.9
69.82769	2.4
71.04997	1.2
77.03910	2.0
79.05493	74.5
81.03398	1.1
81.07059	33.8
83.04939	2.6
83.08618	8.0
85.06526	1.9
91.05486	29.2
93.07043	100.0
95.04948	4.9
95.08605	23.9
97.06506	1.8
97.10170	5.9
105.04499	1.7
105.07023	13.2
107.08594	53.9
109.06525	1.5
109.10146	16.4
117.07019	3.5
119.08588	13.5
121.10148	47.5
123.08047	2.7
123.11692	3.6
127.07555	1.3
129.06989	2.4
131.08568	5.3
133.10121	13.0
135.08066	1.7
135.11688	61.8
143.08542	3.1
145.10138	4.0
147.11678	7.2
149.13252	26.7
159.11696	3.7
161.13219	4.9
163.11124	1.6
163.14804	7.0
167.10672	1.5
170.61153	1.3
171.11674	4.4
173.13264	2.9
175.11191	1.6
175.14801	3.0
181.12183	1.7
185.13310	3.1
199.14774	2.2
206.53506	1.1
207.13744	2.8
221.15335	5.6
231.17426	1.9
235.16960	2.6
241.19514	3.0
250.63017	1.2
259.20590	5.1
274.73605	1.3
277.21622	97.7
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	Stearidonic acid
Peak:m/z	Relative Intensity
53.03934	6.1
55.01860	6.4
55.05264	1.5
55.05511	20.3
57.03434	1.7
57.07063	4.0
67.05507	37.9
69.03410	1.7
69.07068	18.9
70.05049	6.4
71.04972	4.6
71.08614	6.3
77.03912	1.5
79.05494	74.3
81.07059	44.2
83.04967	2.8
83.08627	10.4
85.06529	3.8
90.75614	1.3
91.05479	33.8
93.07046	100.0
95.04958	6.1
95.08608	27.0
97.06535	4.1
97.10172	4.4
99.08096	8.3
105.04528	2.3
105.07026	17.5
107.08595	46.2
109.06520	2.6
109.10168	15.4
111.08081	4.0
117.07020	4.3
119.08582	15.1
121.06501	1.5
121.10143	42.4
123.08060	3.3
123.11716	7.0
129.06984	3.4
130.12030	1.4
131.08577	3.4
133.10121	15.1
135.08066	1.9
135.11693	46.6
137.09682	1.4
137.13184	1.5
143.08534	2.8
145.10129	5.1
147.11685	12.1
149.09598	2.6
149.13257	21.7
151.11186	3.1
157.10117	3.0
159.11703	3.2
161.13239	6.9
163.11179	6.6
163.14796	7.3
165.12819	2.7
167.10612	1.8
171.11639	3.2
173.13220	2.5
175.11258	1.7
175.14856	3.7
177.12814	1.8
179.14296	3.4
181.12279	1.8
185.13310	3.0
189.12802	1.9
190.99095	1.6
193.12172	1.8
195.13768	3.9
199.14795	3.1
207.13890	2.4
213.16426	1.7
221.15425	2.8
235.16913	4.4
241.19609	4.2
259.20624	8.9
277.18454	3.6
277.21625	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41744	1.6
56.96568	25.8
59.05697	1.2
69.84114	3.3
69.84525	4.3
70.98116	8.5
71.95264	1.5
84.96008	3.3
85.02883	4.9
88.99139	3.8
97.02873	2.3
98.97588	100.0
100.97168	2.7
100.97982	2.8
101.00884	13.4
110.97588	13.0
112.99125	3.8
113.00899	2.3
113.03424	2.0
114.97101	1.4
116.98621	26.4
119.01923	10.7
120.01170	1.7
127.02424	1.6
128.98595	12.5
131.00159	3.5
131.01909	4.7
133.00769	1.7
133.01746	2.6
133.03450	7.1
134.99634	4.6
136.99112	1.5
140.98596	3.2
143.00137	2.6
143.01910	8.9
144.98090	1.8
145.01785	1.6
145.03467	3.2
146.99666	8.9
149.01234	2.2
152.98553	2.3
154.01283	2.2
154.55693	1.5
155.01901	2.4
156.98108	1.9
157.03441	2.9
158.99640	10.3
161.01184	2.5
161.02943	17.9
165.00732	3.0
170.99667	3.0
173.02910	5.9
174.99106	3.3
175.04529	2.6
177.00764	10.9
185.02954	1.9
186.96306	1.6
189.00729	5.1
191.02354	1.8
191.03941	2.8
195.01691	2.2
196.02405	1.9
213.92522	1.5
217.00185	1.6
217.03859	2.4
219.01785	15.8
220.48256	1.5
235.01210	3.0
237.02797	13.4
240.98724	1.9
244.25879	1.5
245.05051	8.1
258.96973	2.8
258.99762	23.9
259.02469	2.9
276.97443	9.9
277.00790	16.4
277.03439	4.6
277.07120	25.7
294.98782	3.4
295.06998	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	276.2171
Annotation	Ametoctradin
Peak:m/z	Relative Intensity
53.03956	0.8
55.01865	1.7
55.05511	6.2
56.05044	2.8
56.96560	1.2
57.03441	1.6
57.07062	2.3
60.04529	42.5
62.06091	0.6
67.05509	7.2
68.05022	1.0
69.03424	1.6
69.07077	7.1
70.06589	2.2
70.28974	0.5
71.04996	5.0
71.25955	1.1
72.04516	1.1
73.02864	0.8
74.06084	9.9
79.05486	5.9
80.05016	1.1
81.03413	2.7
81.07062	5.4
82.06586	0.9
83.04955	0.7
83.08618	1.9
85.02892	1.0
85.06537	2.9
85.10181	1.2
86.09722	0.7
87.04481	1.0
91.05484	2.9
93.07044	2.7
94.06582	1.2
95.04978	1.6
95.08620	4.5
96.08097	0.9
97.02898	1.4
97.06522	5.1
98.09702	0.7
98.97594	1.7
99.08108	4.5
100.11263	7.1
102.00941	1.0
104.10783	1.1
105.07045	2.0
109.10137	1.0
110.09680	0.9
111.08078	3.0
112.11259	2.1
114.09186	1.5
114.12828	1.4
119.01958	0.8
120.08154	1.1
122.09695	1.0
123.08071	2.0
124.11302	0.7
128.10677	1.0
129.09242	0.7
129.10188	0.6
137.06009	2.6
138.12794	0.8
140.10735	2.1
140.30486	0.6
141.09081	1.0
142.12292	3.9
144.02002	0.9
144.13844	100.0
146.03604	1.2
149.01227	1.2
150.05478	2.6
156.03639	1.7
158.11774	3.4
158.99747	0.8
164.07152	0.8
168.02100	0.8
174.96899	1.0
176.12845	6.6
178.05008	1.5
179.05792	9.0
180.06540	5.6
185.02986	0.7
186.03152	2.2
204.04138	2.0
210.18549	1.6
216.04269	1.2
231.08910	3.3
232.09586	0.8
236.12711	0.7
238.07828	1.0
239.08572	1.2
240.19563	2.0
246.09355	1.4
258.20731	3.9
259.61276	0.8
260.09097	1.0
276.12357	15.6
276.15662	2.6
276.21716	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.3
55.01878	23.3
55.05513	100.0
56.05038	17.5
56.96563	4.2
57.03434	8.0
57.07077	3.1
59.04984	4.5
61.46721	2.5
67.05508	53.2
68.05837	2.9
69.03420	8.2
69.07070	31.2
70.69173	7.3
71.01339	8.6
71.04993	6.4
72.04153	3.8
72.04517	51.2
75.36870	2.5
79.05500	57.7
79.05950	2.2
80.05792	2.8
81.02990	3.6
81.03427	54.2
81.07062	51.0
81.80101	2.2
82.07394	4.1
83.04980	40.3
83.08621	31.4
84.20633	2.4
85.02917	7.6
91.05482	52.1
92.05817	10.5
93.07047	54.5
94.07346	5.3
95.04963	12.6
95.08609	32.0
96.08945	4.8
97.02901	26.3
97.06530	14.3
97.10170	43.0
98.97588	4.4
99.04483	3.7
105.07034	40.3
106.07365	17.1
107.04950	15.9
107.08595	43.6
108.08956	3.8
109.06509	3.9
109.10143	11.1
111.04436	12.8
111.08067	6.9
112.99052	3.0
117.07019	21.1
117.55698	2.4
118.07373	4.3
119.08593	26.8
120.08914	15.5
121.06485	8.5
121.10149	21.6
122.10478	3.0
123.08089	3.2
125.09644	24.6
129.07013	7.0
131.00148	2.4
131.08568	19.2
132.08914	8.1
133.10146	19.6
134.10478	17.2
135.08066	6.9
135.11699	34.7
137.05977	2.9
145.06474	4.9
145.10149	34.2
146.10429	3.3
147.08040	7.9
147.11717	7.5
148.12070	8.7
149.05978	2.8
149.09621	3.3
153.12737	30.9
155.08545	4.2
158.10493	4.0
158.99675	2.9
160.12117	2.3
160.73824	2.6
162.13670	4.1
163.11191	61.1
172.12148	3.1
173.09683	12.8
181.12288	3.8
191.10608	2.7
201.45850	2.5
240.18326	3.3
258.19324	8.0
276.20447	92.8
276.23209	5.7
277.21667	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02353	0.4
53.03936	1.1
55.01873	2.7
55.05511	10.9
57.03430	1.0
57.07067	0.7
59.05004	0.4
65.03950	0.6
67.05508	13.6
69.07072	8.1
70.08276	1.6
71.04990	2.1
79.05494	16.3
81.07056	14.2
83.04983	2.3
83.08620	3.5
85.06528	0.6
91.05481	23.2
91.98003	0.4
93.07045	15.7
93.07636	0.9
94.57853	0.4
95.04970	2.3
95.08607	9.7
97.06535	2.8
97.10176	1.9
103.05479	0.6
105.07031	36.4
107.04952	4.0
107.08597	15.5
109.06503	2.6
109.10151	5.0
111.08077	0.8
115.05374	0.6
116.06149	0.4
117.07018	6.5
119.08584	20.0
121.06488	2.5
121.10146	5.5
123.08057	2.2
123.11690	1.7
125.09622	1.3
127.07572	0.5
128.06128	0.5
129.06999	1.4
130.07819	0.4
130.80865	0.4
131.08574	10.5
132.09334	0.6
133.06494	1.0
133.10133	22.7
135.08066	3.2
135.11702	3.7
137.09625	1.3
141.07021	0.8
143.08545	1.7
145.10127	10.8
146.10957	0.7
147.08011	0.9
147.10501	0.9
147.11681	18.1
149.09613	7.2
149.13234	0.8
151.11104	0.8
153.12769	0.5
155.08528	0.7
157.10149	2.3
159.08168	0.5
159.11687	9.2
161.09616	1.4
161.13258	5.2
163.11156	2.7
165.09140	0.5
169.10138	1.6
171.11685	1.8
172.42940	0.5
173.09622	0.7
173.11874	0.6
173.13257	3.1
175.11221	1.2
175.14856	0.9
177.12753	1.0
179.10771	0.4
181.12245	1.0
183.11681	2.3
185.13223	1.2
187.11133	1.1
187.14812	0.9
189.12807	0.6
189.16443	0.4
191.14307	0.8
197.13280	1.7
201.12790	0.7
207.13855	0.4
211.14929	0.8
213.16457	0.7
215.14163	0.6
215.17981	1.0
217.15956	0.4
229.19518	3.3
233.19028	0.5
237.93384	0.4
239.17885	3.3
247.17094	0.5
247.20604	2.0
257.16281	0.6
257.18994	13.0
275.20059	100.0
276.20346	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.5
52.22036	0.5
53.03944	1.7
55.01868	2.6
55.05277	0.8
55.05518	9.6
56.18596	0.5
57.03435	2.8
57.07076	1.1
65.03922	0.8
67.05507	16.8
69.03426	1.0
69.07070	6.8
69.50900	0.5
71.04980	1.4
71.07197	1.1
76.43285	0.5
79.05498	16.2
81.06588	1.0
81.07062	20.1
83.04967	2.3
83.08630	4.0
85.06523	0.5
91.05487	24.4
93.07044	16.0
95.04987	2.6
95.08613	11.9
97.06532	2.4
97.10174	1.8
99.08015	0.5
103.05482	0.9
105.07034	33.6
107.04952	4.4
107.08603	12.0
109.06526	4.8
109.10159	4.6
111.08069	1.3
115.05478	0.7
117.07024	7.3
119.08586	25.8
121.06509	3.6
121.10146	8.5
123.08073	4.6
123.11713	1.1
125.09628	1.5
129.06967	1.4
130.07764	0.6
131.08562	10.8
133.06499	1.4
133.10136	24.2
135.08047	7.4
135.11653	4.5
137.09619	3.1
143.08543	2.1
145.10127	8.9
147.08066	1.0
147.11694	12.7
149.09647	7.5
149.13223	1.2
151.11189	2.1
155.08594	1.2
157.10162	2.0
159.08087	0.6
159.11696	7.6
161.09604	2.0
161.13280	3.9
163.11209	5.2
163.14828	0.8
165.12816	0.5
169.10133	1.4
171.11723	2.4
173.09601	0.5
173.13272	3.8
175.11176	2.2
175.14839	1.4
177.12747	2.1
183.11691	2.1
185.13237	1.8
187.11145	0.9
187.14824	1.7
189.12769	0.7
189.16539	0.7
191.14340	1.4
193.12292	0.8
197.13271	1.4
201.12723	1.3
201.16481	0.8
203.14288	1.1
213.16412	1.3
215.14340	0.6
215.17931	1.2
229.16042	0.6
229.19487	3.3
239.17923	3.7
247.20609	4.2
257.19019	8.6
275.20068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01868	3.1
55.05270	0.7
55.05511	9.0
57.03431	4.2
65.03939	1.0
66.91028	0.5
67.05502	11.7
69.07069	6.2
69.41388	3.8
71.04971	1.1
77.03932	0.7
79.05495	13.5
81.03414	0.7
81.07055	13.1
83.04955	2.0
83.08624	3.8
85.06519	1.5
91.05481	21.2
93.07038	14.7
95.04987	3.3
95.08603	9.3
97.06526	3.7
97.10179	1.3
99.08076	1.0
103.05499	0.9
105.07030	35.5
107.04964	4.1
107.08592	12.7
109.06513	2.7
109.10152	4.3
111.08099	1.4
113.06010	0.6
115.05463	0.6
117.07023	8.2
119.08581	22.0
121.06510	2.7
121.10146	6.5
123.08065	2.7
123.11726	0.7
125.09627	0.9
129.06978	2.2
131.08568	12.0
133.06496	0.6
133.10129	19.8
135.08046	3.6
135.11690	3.9
137.09601	0.8
141.06967	0.8
143.08556	2.3
145.09071	0.6
145.10126	9.6
146.10916	0.6
147.08061	1.1
147.10501	0.7
147.11685	14.7
149.09624	7.3
149.13286	0.9
151.11133	1.1
155.08528	1.1
157.10161	2.5
159.08095	0.5
159.11696	9.4
159.12892	0.9
161.09604	1.6
161.13264	4.6
163.11192	3.8
165.09152	0.8
169.10138	2.0
171.11699	1.6
173.09644	0.6
173.13208	3.2
175.11208	1.1
175.14816	1.2
177.12750	1.7
183.11684	1.8
185.13263	6.1
187.11168	1.5
187.14827	1.1
189.12708	0.6
191.14323	1.2
197.13263	2.2
199.14815	0.9
201.12749	1.4
201.16370	1.4
203.14352	4.0
211.14824	0.7
215.14513	0.5
215.17967	1.1
217.15987	0.6
219.13789	0.9
219.17421	2.0
229.15935	0.6
229.19441	1.9
233.15308	0.6
233.19029	0.9
239.18027	4.6
247.20587	2.3
257.18982	13.0
275.20059	100.0
276.20447	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03933	1.4
55.01887	2.6
55.05269	0.8
55.05515	11.3
57.03427	1.6
57.07091	1.0
61.25538	0.5
65.03932	1.1
65.30566	0.5
67.05509	16.0
67.09161	0.5
69.03423	0.8
69.06721	0.6
69.07076	7.9
70.20641	2.0
71.04993	1.2
77.03898	0.6
79.05495	17.5
81.03413	1.3
81.06593	1.0
81.07060	17.8
83.04972	1.9
83.08635	3.5
84.96093	0.4
85.06525	1.1
91.05486	30.2
93.06480	0.9
93.07047	15.1
95.05001	2.5
95.08607	11.4
97.06534	3.2
97.10149	1.9
98.47905	0.5
103.05461	1.4
104.80487	0.4
105.07037	41.4
107.04975	3.2
107.08604	12.5
109.06505	3.1
109.10159	5.6
111.08086	1.2
115.03809	0.5
115.05487	0.5
115.31726	0.5
117.06227	0.7
117.07026	7.2
119.08587	24.0
121.06538	3.5
121.10144	5.0
123.08086	1.8
123.11694	1.3
125.09617	0.9
127.20472	0.5
128.06223	0.5
129.06996	1.9
130.07799	0.5
131.08578	11.8
133.06535	0.6
133.10136	29.0
135.08072	2.9
135.11713	3.1
137.09604	2.0
141.06981	0.9
143.08546	1.8
145.06508	0.6
145.10129	10.8
146.10870	0.7
147.08032	1.1
147.11691	17.4
149.09633	6.7
149.13249	1.6
151.11159	1.9
155.08525	1.4
157.10150	2.9
159.11685	6.3
161.09569	1.2
161.13251	4.6
163.11214	3.6
163.14735	0.7
165.09082	0.9
165.12773	1.7
169.10132	1.9
171.11664	2.7
173.13255	4.6
175.11237	0.6
175.14886	1.1
177.12714	1.2
179.10707	0.8
179.14243	0.7
183.11700	1.9
185.13251	1.1
185.93375	0.6
187.11171	1.0
187.14861	1.1
189.12680	1.0
191.14272	1.0
193.12315	0.6
197.13264	2.1
199.14961	0.9
201.12750	0.8
215.14346	0.8
215.17897	0.8
219.13846	0.7
229.16010	0.7
229.19521	3.5
233.15373	0.7
239.17967	6.7
247.20564	2.0
257.19016	9.4
275.20078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.60126	0.5
53.03936	2.5
55.01630	0.9
55.01874	13.1
55.05274	1.1
55.05513	15.3
56.80384	0.6
57.03428	1.8
57.07052	1.0
65.03916	1.7
65.60031	0.6
66.64849	0.6
67.05505	20.1
69.06730	1.0
69.07074	14.2
71.04977	1.9
71.42319	1.2
77.03928	1.1
79.05494	19.6
80.23511	0.6
81.03394	1.6
81.07058	30.8
83.04980	3.6
83.08622	5.6
85.06519	0.8
91.05482	46.5
93.06480	1.1
93.07047	20.5
95.01321	1.2
95.04985	3.4
95.08602	14.9
97.05918	1.1
97.06529	20.4
97.10149	2.7
103.05450	1.8
105.07034	81.2
107.04950	7.8
107.08602	13.9
109.06496	2.1
109.10149	6.1
111.08076	1.5
115.05447	0.9
117.07021	10.6
119.08585	39.6
119.91518	0.6
121.06515	2.2
121.10136	5.7
123.08038	1.3
123.11703	1.9
125.09619	1.5
129.07004	2.0
131.07588	1.2
131.08568	19.3
132.09372	0.9
133.10132	47.1
134.37143	0.6
135.08015	2.5
135.11674	5.4
137.09615	2.1
139.07533	1.3
143.08571	2.7
145.10126	11.8
147.08076	0.9
147.11691	19.9
149.09628	7.0
149.13225	1.3
151.11211	1.4
157.10138	2.5
159.11690	8.8
161.09586	1.0
161.13269	2.8
163.11182	2.3
165.09166	1.4
169.10136	1.5
171.11707	2.2
173.13251	3.0
175.11220	1.4
175.14804	1.0
177.12772	1.7
179.14323	2.3
183.11690	2.2
185.13249	1.6
187.11212	0.7
187.14899	1.0
189.12701	0.7
193.12163	0.7
197.13324	1.5
201.16302	1.3
203.14375	1.0
205.12170	0.8
215.17813	0.9
219.17442	7.4
229.19540	2.2
239.17999	3.1
247.20613	3.4
257.19006	8.3
275.20065	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03945	1.4
55.01868	2.3
55.05269	0.6
55.05516	9.7
55.42876	0.5
57.03437	2.7
57.07061	0.7
64.59981	0.5
65.03935	0.6
67.05507	17.0
69.03429	0.9
69.07069	7.6
70.08168	2.2
71.04980	1.7
77.03905	0.6
79.05495	18.4
81.07059	22.0
83.04993	3.0
83.08627	3.8
85.06521	1.1
91.05485	25.8
93.06481	1.1
93.07048	18.9
95.04967	3.0
95.08611	13.5
97.06526	2.5
97.10159	1.3
99.90411	0.5
99.99084	0.6
101.34218	0.5
103.05467	0.7
105.07037	34.8
107.04951	4.8
107.08599	12.8
109.06516	4.7
109.10155	5.6
111.08083	1.6
115.05487	0.9
116.84589	0.5
117.07024	7.0
119.04972	0.6
119.08589	27.3
121.06483	4.7
121.10145	7.8
123.08062	4.4
123.11700	1.8
125.09624	1.4
129.07007	2.1
131.08569	10.2
133.06494	1.6
133.10136	28.3
135.08054	8.3
135.11679	5.0
137.09621	3.7
139.11211	0.6
141.06934	0.5
142.07834	0.8
143.08566	2.5
145.10132	11.1
147.08035	1.7
147.11693	12.7
149.09631	8.7
149.13263	1.1
151.11166	2.1
155.08553	1.1
157.10133	1.8
159.11705	6.0
161.09663	2.2
161.13277	4.3
163.11165	4.3
163.14888	0.6
165.09152	0.8
165.12659	0.6
169.10114	1.3
171.11676	2.0
173.09630	0.6
173.13251	4.5
175.11171	2.5
175.14819	1.2
177.12773	1.5
183.11694	2.2
185.13286	1.4
187.11145	1.0
187.14786	0.9
189.12779	1.2
191.14359	0.6
197.13258	2.0
201.12743	0.9
201.16422	0.9
203.14296	1.3
205.12265	0.6
215.14323	0.6
215.17935	0.7
219.17407	0.9
229.16049	0.7
229.19527	3.6
233.18819	0.7
239.17950	4.2
247.20612	5.1
257.18973	9.1
275.20071	100.0
276.20566	0.6
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
53.03934	2.8
55.01865	1.2
55.05514	9.7
57.03426	2.9
57.07071	1.0
65.03942	1.0
67.05177	1.2
67.05508	16.0
69.03406	1.1
69.06724	1.0
69.07068	8.8
69.23661	4.2
69.24089	2.8
71.04975	2.0
79.05064	1.4
79.05495	18.5
81.03380	0.8
81.06590	1.2
81.07062	22.0
83.04963	2.8
83.08620	3.9
85.06542	1.3
87.05626	0.7
91.05485	32.2
93.07057	17.0
95.04952	1.9
95.08606	12.1
97.06524	2.0
97.10171	1.3
105.04492	0.8
105.07037	42.9
107.04955	3.8
107.08595	14.2
109.06506	5.4
109.10168	5.9
111.08073	1.7
117.07032	9.6
118.07756	0.8
119.08582	30.5
121.06507	2.5
121.10133	5.4
123.08093	5.6
123.11707	0.8
125.72934	0.7
129.07004	1.8
131.08571	10.1
131.84027	0.7
133.06499	1.1
133.10136	41.1
135.08095	5.4
135.11674	5.8
137.09596	2.8
141.06979	1.2
143.08554	2.0
145.10136	10.7
146.10899	0.8
147.08017	1.5
147.11682	13.0
149.09637	5.8
149.13245	1.4
151.11174	1.7
155.08571	1.8
157.10127	2.3
159.11700	7.1
161.09572	1.7
161.13283	6.2
163.11183	2.8
163.13953	0.6
169.10120	2.1
171.11664	2.5
173.13278	4.4
175.11174	1.5
175.14862	1.5
177.12744	1.5
183.11705	2.6
184.34563	0.9
185.13266	3.0
187.11145	1.0
197.13263	2.2
201.16396	1.7
203.14345	2.3
215.17929	0.9
219.17534	1.1
229.19537	1.7
229.64999	0.8
239.17883	4.4
247.20604	2.6
257.18985	9.4
275.20068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.65694	0.8
53.03929	1.3
55.01875	1.9
55.05269	0.9
55.05512	11.4
56.61942	0.8
57.03427	3.6
57.07070	1.5
57.84344	0.8
65.90704	0.7
66.23803	0.7
67.05173	1.5
67.05507	19.5
69.03426	0.9
69.07068	11.7
70.85065	1.6
71.04982	2.0
73.48730	0.8
79.05060	1.5
79.05495	20.4
81.07059	25.5
83.04976	2.0
83.08619	3.6
85.06548	2.1
91.05481	33.6
93.07043	17.2
95.04958	2.4
95.08612	13.6
97.06538	2.0
97.10172	1.3
99.71578	0.8
103.05445	1.4
104.06306	0.8
105.07034	45.1
107.04952	5.4
107.08601	12.7
109.06535	5.1
109.10168	4.7
111.08097	1.8
117.07020	9.5
118.07774	1.2
118.13994	0.8
119.08584	30.1
119.39713	0.8
121.06506	3.1
121.10168	7.6
123.08057	4.8
123.11725	1.0
129.07019	2.8
131.08577	12.7
133.10132	31.1
135.08081	4.9
135.11667	4.5
137.09590	2.7
141.07011	0.9
143.08580	2.9
145.10124	13.0
147.07999	1.6
147.11678	17.1
149.09618	5.2
151.11192	1.9
157.10101	2.7
159.11685	9.1
161.09634	1.7
161.13275	4.2
163.11157	2.9
169.10123	1.9
171.11681	2.5
173.13316	4.7
175.11194	2.2
175.14801	1.2
177.12726	1.1
183.11665	1.9
185.13254	2.7
187.11227	1.4
187.14766	0.9
193.12143	1.1
197.13222	2.1
199.14865	1.1
201.12743	1.4
203.14383	1.6
215.17897	0.9
219.17493	1.3
229.19508	3.1
233.15358	1.0
239.17966	4.8
247.17001	0.9
247.20567	2.2
257.18973	9.9
275.20068	100.0
276.03214	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03933	1.7
53.34778	0.7
53.54798	0.6
55.01849	1.9
55.05511	9.7
56.39648	0.6
57.03424	1.6
65.03934	1.0
67.05183	0.7
67.05508	12.3
69.07066	8.3
69.94193	1.5
69.94586	1.3
71.04968	1.0
73.43417	0.7
74.71778	0.5
75.65259	0.5
77.03925	0.8
79.05069	1.1
79.05492	14.0
81.06586	0.9
81.07060	18.1
81.98796	0.6
83.04964	2.0
83.08621	4.4
85.06530	1.4
91.05479	37.6
93.07040	14.6
95.04947	2.6
95.08609	9.8
97.06522	2.3
97.10158	2.0
98.20856	1.0
103.05443	1.3
105.07031	51.8
107.04954	2.6
107.08597	11.7
109.06512	2.5
109.10149	5.3
111.08066	1.0
115.05471	0.9
117.07011	10.7
118.07800	0.8
119.08580	32.6
121.06525	1.6
121.10169	6.0
123.08067	2.5
123.11712	1.7
124.45040	0.6
125.09637	0.9
129.07002	2.4
131.08583	11.2
133.06551	0.8
133.10133	39.6
135.08078	2.9
135.11690	2.6
137.09598	2.5
139.11186	0.7
141.06897	1.2
143.08536	2.7
145.10129	13.9
147.08018	1.3
147.11684	17.4
149.09619	4.8
151.11186	1.3
155.08502	0.6
157.10161	3.1
159.11678	7.3
161.09608	1.5
161.13242	4.5
163.11191	2.5
169.10138	1.5
171.11685	2.7
173.13303	3.0
175.11176	1.6
175.14786	1.1
183.11687	2.6
187.11180	0.9
187.14859	0.7
188.17894	0.6
189.12701	0.7
197.13199	1.7
201.12819	1.0
201.16393	0.7
211.14883	0.8
229.19466	1.8
231.17430	0.9
233.15451	0.9
233.19064	1.0
239.17931	3.7
247.20624	2.7
257.18985	7.4
275.20062	100.0
275.27747	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01865	3.1
55.05505	14.3
57.07058	10.2
58.07393	2.4
67.05508	15.5
69.03407	4.4
69.07062	10.2
70.00826	10.5
70.06580	8.8
71.04992	24.2
71.06905	2.6
79.05483	13.9
79.88152	3.3
81.07060	16.7
83.04956	9.0
83.08606	6.7
85.06555	17.5
88.07626	11.9
88.35017	2.6
89.07940	3.3
91.05489	20.9
93.07042	36.0
95.04942	6.0
95.08609	33.6
97.06532	4.8
98.20792	3.9
105.07042	40.4
106.08698	6.0
107.08578	36.3
109.06501	22.9
109.10164	15.8
111.08066	23.8
115.05497	2.8
117.07033	11.9
119.08579	47.7
120.22203	2.3
121.10148	43.4
123.08034	3.6
123.11678	11.7
128.06224	3.1
129.07004	6.7
131.08574	41.8
132.09309	2.4
133.10146	40.1
135.08054	48.4
135.11678	6.3
137.09618	33.1
142.07750	8.8
143.08559	17.1
144.09396	4.5
145.10136	35.9
147.08038	3.0
147.11679	10.6
149.09589	9.2
151.11194	2.7
156.09309	6.9
157.10127	37.7
158.10948	13.4
159.08066	3.0
159.11688	60.7
161.09657	5.3
163.11220	6.5
167.40489	2.5
168.09283	4.6
169.10175	6.2
171.11656	16.6
173.11749	4.7
173.13263	92.0
174.14066	9.0
175.11150	11.5
175.14784	7.7
176.24751	2.3
177.12779	15.3
182.10910	3.4
183.11684	20.3
184.12424	3.6
185.13307	4.7
187.11209	7.2
187.14760	11.9
189.12761	4.8
191.14270	12.1
197.13251	10.9
199.14783	26.5
201.12680	11.4
210.14072	3.1
213.16374	10.2
215.17973	8.8
217.15889	9.5
219.13852	3.4
231.92343	3.0
239.17940	10.4
257.19003	40.1
257.26624	3.8
275.20081	65.2
275.27753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01862	1.8
55.05515	7.0
57.07056	1.5
67.05510	7.6
69.07063	12.3
70.87455	1.0
71.04989	3.1
71.07439	2.4
79.05487	5.7
81.07063	10.3
83.04982	1.2
83.08614	3.9
85.06535	4.7
87.21160	1.1
89.40558	1.1
91.05477	13.1
93.07047	14.5
95.04955	2.1
95.08596	13.1
97.06509	3.0
105.07031	17.4
107.04938	1.9
107.08601	12.9
109.06523	4.2
109.10148	10.3
111.08077	22.7
113.08965	1.0
113.09634	6.9
117.07010	4.8
119.07809	1.7
119.08583	17.7
121.06489	3.2
121.10146	8.1
122.07263	4.2
123.08053	14.8
123.11701	2.3
129.07027	1.7
130.07800	1.2
131.08583	15.5
133.10117	12.9
135.08061	26.6
135.11670	5.1
137.09613	3.1
139.07552	1.3
139.11166	3.4
142.07745	1.5
143.08537	4.6
144.09296	1.6
145.10112	10.2
147.07980	1.7
147.11668	11.4
149.09573	6.0
149.13264	2.0
156.09341	4.2
157.10100	7.7
159.11679	13.2
161.09598	2.6
161.13280	1.3
163.11211	5.2
165.12737	2.2
169.10167	1.1
170.10907	1.4
171.11690	27.2
173.09521	1.3
173.13268	7.4
175.11179	2.6
175.14813	3.9
176.11951	5.1
177.12708	2.1
181.12239	13.1
183.11697	2.9
185.13298	1.4
185.32391	1.2
187.11191	1.4
187.14859	1.4
189.12743	5.2
191.14307	100.0
197.13196	1.9
199.14810	9.1
213.16479	2.0
215.14374	1.7
215.17851	5.7
217.15924	9.1
231.17470	2.1
239.17950	4.9
257.19003	18.2
275.20059	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03936	1.5
55.01876	4.4
55.05513	10.6
57.03426	0.9
57.07067	0.9
63.87213	0.4
65.03917	0.5
67.05507	14.9
69.03423	0.8
69.06725	0.6
69.07067	7.5
69.88396	1.7
69.88807	0.8
70.38937	0.4
71.04981	1.7
73.06555	0.5
77.03904	0.8
79.05495	16.9
81.03425	0.8
81.07061	16.3
81.79600	0.4
82.95190	0.5
83.04958	1.8
83.08618	3.9
85.06539	0.8
91.05481	24.5
93.07045	15.8
95.04979	2.9
95.08607	9.8
97.06529	4.7
97.10175	1.2
103.05479	0.5
105.07034	35.5
107.04955	5.0
107.07868	0.8
107.08599	14.2
109.06496	2.7
109.10154	5.3
110.73806	0.4
111.08059	1.3
115.05412	0.7
117.07020	7.1
119.08584	20.5
121.06513	2.9
121.10152	7.1
123.08103	2.4
123.11715	2.0
125.09624	1.9
129.06985	1.9
131.08563	9.9
133.06497	1.3
133.10132	24.5
135.08055	3.8
135.11688	4.0
137.09627	2.4
139.07559	0.6
141.06961	1.0
143.08560	2.0
145.10124	10.2
147.08022	1.4
147.11687	14.0
149.09622	11.1
149.13228	1.3
151.11205	2.4
153.09183	0.5
155.08533	0.9
157.10138	1.7
159.08017	0.5
159.11691	7.0
161.09634	1.4
161.13281	4.6
162.18944	0.4
163.11212	3.9
165.09178	0.5
165.12724	0.7
167.10638	0.6
169.10115	2.0
171.11774	2.5
173.09573	0.7
173.13264	3.6
175.11201	1.3
177.12750	1.4
181.12340	0.7
183.11656	1.5
185.13292	0.9
187.11197	1.0
187.14816	0.9
189.12755	0.7
191.14279	0.9
197.13300	1.3
201.12758	1.1
208.47064	0.5
213.16322	0.6
215.14427	0.7
215.17976	1.5
217.15865	0.7
219.13841	0.6
229.15930	0.7
229.19511	3.3
233.15370	0.6
233.18970	1.3
239.17958	3.9
247.20587	3.9
257.18994	9.6
275.20065	100.0
276.20428	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	6.8
59.70691	0.3
69.91521	1.5
71.95271	2.9
98.97588	100.0
101.00932	0.3
116.98623	31.5
130.93286	0.7
134.99663	5.9
135.13914	0.3
140.00229	0.6
154.93427	0.3
172.94363	5.6
190.95380	2.2
208.96338	0.7
214.95375	3.9
232.96457	4.3
250.97546	1.4
256.96457	17.0
274.97513	70.9
275.60538	0.3
283.48010	0.3
292.98563	27.6
297.98962	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77013	0.3
50.85155	0.3
54.58067	0.4
54.98647	0.3
56.96293	0.6
56.96570	9.7
69.83823	1.4
69.84232	0.4
70.98117	1.7
71.95267	2.7
85.02909	0.3
87.71193	0.3
88.99188	0.5
91.02156	0.2
97.02838	0.3
98.97587	100.0
106.54451	0.3
110.97578	1.6
113.07123	0.7
113.62168	0.3
116.98625	31.4
125.07156	0.6
128.98608	1.0
130.93300	0.7
134.99664	4.6
138.43277	0.3
140.00182	0.6
146.99709	0.5
153.00706	0.3
154.93286	0.4
154.96497	1.4
158.99707	0.4
170.96057	0.9
172.94347	4.2
172.97588	3.6
186.99001	0.3
188.97278	0.4
190.95393	2.1
190.98682	2.5
202.98586	0.5
208.96492	0.5
214.95445	3.1
218.98148	0.5
220.99637	0.3
230.98668	0.4
232.96451	4.0
232.99712	2.7
250.97461	1.1
251.00772	2.3
256.96439	19.0
261.03110	0.6
274.97516	70.6
292.98575	27.7
297.99036	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2739
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
52.53004	0.2
57.06796	0.4
57.07076	6.5
58.06591	0.5
62.06063	0.4
67.20093	0.2
70.06590	9.4
70.07622	1.1
71.08627	2.8
79.13676	0.2
85.10182	0.6
88.07630	13.9
97.54570	0.3
98.21034	0.7
102.09180	3.2
106.08663	7.6
136.77551	0.2
165.03716	0.2
184.56503	0.2
212.23700	0.5
222.35274	0.3
230.24724	0.8
256.26321	5.4
274.27390	100.0
275.27722	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97005	0.7
53.03957	1.1
55.01871	1.8
55.05516	20.1
56.05033	6.2
57.03416	1.3
57.07077	1.3
57.45435	0.7
60.04528	52.8
64.61020	0.8
65.03949	0.8
67.05510	6.5
68.05019	2.8
69.03427	0.9
69.07068	5.2
70.05346	1.6
70.05759	2.3
70.06596	1.5
71.04990	4.3
72.04512	1.4
74.06077	3.0
79.05511	6.2
80.05027	4.0
81.03423	2.0
81.07064	13.2
82.06577	5.7
83.04979	0.8
83.08622	13.8
84.04440	0.8
84.08121	0.9
85.02892	0.8
85.06544	4.5
91.05501	1.2
93.07059	4.5
94.06571	2.8
95.04974	1.5
95.08605	6.0
96.08121	2.1
97.02937	0.8
97.06539	3.8
97.08928	2.2
98.06048	0.8
98.09693	5.8
98.97605	1.3
99.08106	4.8
105.07012	1.5
107.08578	0.9
108.08150	0.9
110.06979	0.8
110.09685	2.5
111.08057	1.7
112.11230	7.5
116.51504	0.7
122.06004	0.7
122.09666	4.1
123.08085	2.5
124.11290	4.5
127.50150	0.7
128.10753	2.6
140.10721	7.3
141.09096	2.0
142.12280	100.0
154.12218	0.8
158.11795	4.6
176.12820	6.6
208.16991	1.2
217.83073	0.7
230.07877	1.3
238.17941	1.7
256.08994	0.7
256.19061	5.5
274.06833	1.9
274.20163	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	273.2576
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03930	2.1
55.05510	14.1
57.07084	6.2
67.05177	1.5
67.05510	20.3
69.07069	32.7
70.67946	1.8
70.68289	1.9
71.92968	1.0
72.25568	1.1
73.56116	1.2
78.39800	1.2
79.05496	10.6
81.07058	61.8
83.08227	1.3
83.08627	16.1
91.05489	8.6
93.07048	31.9
94.48042	1.3
95.08608	67.3
97.10180	10.5
105.06387	1.8
105.07030	23.0
107.08594	45.7
109.10157	49.5
111.11700	4.9
117.07076	1.5
118.67939	1.2
119.08589	22.1
121.10149	46.2
123.10821	2.3
123.11706	36.3
131.08585	2.4
133.10126	13.3
135.11690	25.7
137.13261	10.1
145.10094	2.3
147.11685	15.5
149.12019	2.2
149.13257	45.1
149.38701	1.4
151.14859	6.0
152.45004	1.2
161.13252	27.2
163.14827	23.7
165.16383	2.9
175.14825	9.8
177.16386	16.5
189.16388	18.2
191.17928	10.3
203.17952	17.7
217.19505	25.7
231.21054	2.2
273.18610	3.5
273.22861	3.3
273.25757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
51.02375	0.5
53.03947	0.8
55.01624	0.3
55.01870	2.6
55.05509	6.8
57.03431	0.8
59.05000	0.3
65.03926	0.6
67.05505	9.3
69.03413	1.1
69.07066	4.6
69.80180	1.0
69.80577	0.7
71.04983	0.9
79.05073	0.5
79.05497	6.8
81.03407	0.7
81.06591	0.4
81.07059	7.8
83.04966	1.4
83.08612	2.3
91.05479	13.5
93.07047	7.0
95.04966	2.6
95.08051	0.5
95.08607	5.9
97.06507	1.1
97.10165	1.0
99.08092	0.4
103.05437	0.8
105.03469	0.4
105.07033	13.5
107.04958	3.2
107.08592	5.1
109.06518	1.4
109.10174	2.4
111.08063	1.0
111.79550	0.4
115.05447	1.7
116.06211	1.0
117.07015	9.9
119.04966	0.8
119.08582	12.0
121.06499	2.6
121.10135	1.9
123.08076	2.0
125.09601	0.6
128.06236	1.7
129.07004	7.0
130.07776	1.6
131.04895	0.5
131.08569	24.8
132.05701	0.3
133.06482	4.0
133.10126	4.9
135.08063	2.0
135.11739	0.8
137.09633	0.8
141.06960	0.5
142.07767	1.3
143.08566	6.8
144.09344	0.5
145.06500	1.8
145.10124	15.6
146.07324	0.4
147.06938	0.7
147.08044	9.8
147.10632	0.4
147.11641	2.0
149.09613	1.5
149.13225	0.5
155.08557	1.6
156.09169	0.4
156.13046	0.3
157.06552	0.9
157.10124	6.3
158.10973	0.5
159.08034	3.9
159.11678	4.5
160.08902	0.3
161.05969	0.4
161.09622	6.8
161.13248	0.7
163.07574	0.8
163.11192	1.3
166.07742	0.4
166.49222	0.3
167.08493	0.4
169.10097	0.9
171.11694	3.4
173.09642	2.2
173.13235	1.1
173.77519	0.3
175.11192	6.3
177.09082	0.7
177.12724	0.6
181.10089	1.5
183.11578	0.4
185.09610	1.4
185.13237	1.5
187.11200	1.0
189.12785	1.6
191.10741	0.6
195.11697	1.4
199.11197	2.7
199.14896	0.7
203.10780	0.7
203.18155	0.4
205.12170	0.6
205.30676	0.4
211.14735	0.7
213.00169	0.4
213.12727	0.9
213.16322	0.8
217.12198	0.8
227.17960	2.7
229.15823	0.5
231.17500	0.8
237.16409	2.4
245.18950	2.5
255.17455	8.3
273.18488	100.0
274.18701	0.7
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
53.03933	0.9
54.45458	0.3
55.01638	0.3
55.01870	2.6
55.05268	0.5
55.05515	7.2
56.11427	0.3
57.03426	0.7
65.03931	0.8
67.05506	10.2
69.03412	1.0
69.07065	4.0
70.95422	0.5
70.95778	0.6
71.04978	1.3
75.20495	0.3
77.03916	0.3
79.05492	7.8
81.03396	1.0
81.07058	8.4
83.04971	1.0
83.08610	2.5
84.23335	0.3
85.06535	0.7
91.05484	15.2
93.07043	7.6
95.04969	2.2
95.08607	5.5
97.06516	1.0
97.10155	1.1
99.08067	0.4
102.69643	0.3
103.05446	1.2
105.03388	0.5
105.07037	13.9
105.09133	0.3
107.04965	2.9
107.08595	4.0
109.06504	1.5
109.10148	2.6
111.08094	0.7
115.05461	2.1
116.06206	1.7
117.07022	12.6
119.04914	0.8
119.08588	13.1
121.06467	1.9
121.10157	2.7
123.08052	1.6
125.09640	0.7
128.06236	2.1
129.07007	6.9
130.07779	2.1
131.04883	0.4
131.08572	26.1
132.05713	0.4
133.06487	3.7
133.10132	5.2
135.08072	2.7
135.11646	0.8
137.09576	0.6
141.06963	1.2
142.07767	1.1
143.08565	8.4
144.09331	0.8
145.06462	1.5
145.10127	18.2
147.08054	10.8
147.09219	0.4
147.11703	1.8
149.09619	1.8
153.09177	0.4
155.08557	1.0
156.09270	0.4
157.06532	0.6
157.10139	6.0
158.10887	0.5
159.08070	2.3
159.11690	5.4
161.09622	7.2
161.13225	0.4
163.07494	0.5
163.11227	1.5
167.08572	0.8
169.10077	2.3
171.08018	0.5
171.11696	3.5
173.09644	2.0
173.13223	0.9
175.11195	4.2
177.09178	0.7
177.12675	0.5
181.10118	1.5
183.11732	0.5
185.09634	1.5
185.13185	1.6
187.11177	1.3
189.12697	1.2
195.11754	1.5
199.11162	2.1
201.12651	0.5
203.10649	1.0
205.12218	0.6
209.13214	0.6
211.14812	0.7
213.12750	0.9
213.16431	1.1
217.12311	0.8
227.17921	2.8
231.17369	0.4
237.16415	3.3
245.18951	3.1
255.17445	8.0
266.84308	0.3
273.18494	100.0
274.18820	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
51.70700	1.3
55.05501	5.4
57.03442	2.1
57.07077	2.5
59.05023	1.6
60.05845	1.3
63.72152	1.2
64.68276	1.5
67.05519	7.2
69.03406	2.0
69.07056	5.5
70.46419	1.7
70.46764	4.6
71.04984	6.1
79.05468	7.5
79.61137	1.6
81.07063	7.8
82.62364	1.2
83.04980	3.9
83.08621	3.0
84.24754	1.3
85.06530	3.6
91.05482	9.7
93.07047	9.6
95.04964	28.0
95.08620	6.6
95.09150	1.4
95.49296	1.3
97.06503	3.5
98.97562	1.7
105.07034	18.4
107.04966	2.1
107.08581	12.5
109.06518	29.4
109.10172	7.6
111.08064	5.3
111.69096	1.2
113.06033	1.7
117.07014	6.9
119.08586	22.9
121.06500	2.1
121.10114	6.3
123.08070	18.2
123.11692	3.1
128.06252	1.8
129.07016	4.6
130.07765	4.2
131.08582	16.1
133.10121	10.5
135.08052	11.6
135.11679	5.1
137.09621	11.6
141.06984	1.7
142.07762	6.5
143.08577	12.8
144.09351	2.6
145.10127	40.3
147.08044	6.7
147.11703	17.1
149.09584	4.1
151.07555	2.8
151.11183	3.0
155.08539	3.8
156.09357	7.9
157.10124	23.5
158.10878	3.3
159.08060	4.0
159.11685	12.2
161.09644	8.3
161.13245	3.1
163.11133	3.8
166.30548	1.3
169.10088	4.5
170.10936	5.0
171.11700	20.5
172.12514	2.1
173.09631	8.9
173.13264	27.3
174.10432	2.2
175.11191	8.6
177.09149	2.1
177.12721	2.0
181.10025	2.3
182.10870	4.6
183.11760	2.6
184.12347	1.6
185.09666	3.0
185.13298	9.3
187.11174	16.6
187.14745	6.8
188.12077	1.7
189.12772	16.6
195.11700	4.1
196.12427	2.0
197.13272	13.1
199.11177	9.5
201.12735	2.0
203.14272	6.3
207.11655	2.4
208.06815	1.5
211.11327	2.0
211.14861	4.8
212.15689	2.3
213.12794	3.7
213.16388	13.0
214.13483	2.8
215.14322	44.2
217.12187	7.8
222.14131	1.4
225.12762	1.5
227.17952	2.3
229.15880	4.0
231.13857	2.5
231.17480	14.7
237.16344	4.0
240.15366	1.5
245.19061	2.0
255.17508	31.3
273.18500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2632
Annotation	Isoamyl laurate
Peak:m/z	Relative Intensity
55.05509	14.3
57.07079	40.7
59.04990	3.8
67.05495	5.7
69.07065	18.9
71.04974	4.7
71.08626	18.9
71.20348	1.3
71.55831	2.2
73.06547	4.9
79.05494	3.5
81.07047	8.4
83.04967	2.3
83.08620	12.8
85.06548	1.9
85.10186	8.6
89.06051	2.5
93.07032	4.0
95.08618	7.5
95.40569	1.4
97.06511	2.7
97.10170	6.7
101.05991	2.5
103.07590	17.7
105.07022	2.1
107.08579	3.7
109.10138	4.5
111.08075	3.2
117.09131	7.3
119.08593	1.7
121.10150	4.1
123.11672	2.0
125.09592	1.7
131.10678	2.4
133.10124	1.7
135.11693	4.2
149.13281	2.2
186.26505	1.4
230.13876	1.6
271.06039	7.6
271.09610	2.3
271.14490	1.6
271.26349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01875	7.4
55.05512	11.3
56.96561	2.1
57.03438	18.5
57.07070	2.7
62.29575	0.8
63.44882	0.8
65.03941	1.4
67.01867	1.0
67.05505	55.4
68.99780	0.9
69.03414	3.4
69.07066	19.8
70.06587	1.3
71.04674	0.9
71.04996	7.1
71.08633	1.0
71.56445	0.9
73.02940	1.0
73.06538	1.3
79.05492	19.5
81.03412	4.2
81.07057	59.0
83.04987	8.4
83.08619	6.3
85.02882	2.1
85.06553	7.1
91.05479	40.5
92.69966	0.9
93.06480	1.7
93.07043	25.9
95.04964	5.9
95.08605	18.6
97.02871	1.7
97.06526	4.1
97.10155	1.3
98.20820	0.9
98.97582	10.7
99.04491	4.7
99.08100	1.6
101.06014	1.1
105.07033	41.6
107.04895	1.3
107.07866	2.1
107.08592	39.3
109.06506	5.8
109.10157	78.4
110.97576	1.2
111.08068	2.0
111.11744	1.4
112.99148	0.9
113.06006	2.5
116.98633	4.0
117.07000	3.3
119.04956	5.1
119.08575	11.2
121.02887	1.7
121.10132	6.2
122.76237	1.0
123.08066	1.8
123.11705	13.3
125.09621	1.2
127.07569	3.7
128.06201	1.1
128.98598	1.8
129.05450	2.4
131.00122	1.1
131.08560	6.7
133.10132	85.7
134.99680	1.3
135.08060	1.1
135.11679	5.7
137.09631	1.3
143.08548	2.5
144.05753	1.4
145.02850	1.6
145.10121	5.5
147.11694	5.1
149.13240	3.6
151.11188	52.6
153.01810	8.7
155.08554	1.7
157.10149	1.3
158.99690	2.8
159.08093	4.4
159.11703	7.2
161.09627	2.2
161.13286	6.6
163.14810	2.7
165.07024	2.6
169.10065	1.5
169.12260	12.9
170.97684	0.9
170.99646	1.1
173.01242	2.0
173.09734	1.1
173.13287	4.6
175.07484	1.0
175.14844	7.0
177.00697	2.0
177.16339	1.4
179.10658	2.8
183.08038	1.3
187.14859	2.6
189.16418	1.7
197.11658	1.6
201.16432	3.6
215.12752	4.2
215.17960	5.5
219.01755	1.1
221.05806	1.0
225.05397	1.1
229.07408	3.0
247.08467	1.7
249.02808	1.7
253.14272	7.4
271.06021	100.0
271.09244	4.4
271.15347	64.8
271.24197	34.3
272.06415	1.0
282.82397	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1442
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
50.84594	0.4
55.05505	1.0
56.96572	0.5
67.05490	2.3
69.07061	1.2
71.16831	0.7
71.17155	0.8
73.73274	0.5
79.05504	3.4
81.05787	1.2
81.07068	2.5
82.07385	0.6
83.08623	0.6
83.54417	0.5
91.05466	1.8
93.05771	0.9
93.07050	1.9
94.06552	1.4
95.04970	0.7
95.08602	0.9
96.08153	3.0
98.97560	0.7
105.07015	1.8
106.06564	3.2
107.08589	1.2
108.07424	0.8
108.08125	10.5
109.06503	0.6
109.10135	1.7
110.09691	0.8
111.31512	0.6
117.07015	0.9
118.06509	0.7
119.08538	1.0
120.08081	0.9
121.10100	1.5
122.09662	2.1
129.06989	1.3
131.08525	1.2
133.10118	1.0
134.06004	2.0
134.71597	0.5
136.07651	1.2
137.09747	0.6
142.07819	0.7
143.08595	1.1
144.08090	1.4
145.10089	1.0
147.11694	0.7
151.11147	0.7
156.09435	0.6
157.08951	0.7
157.10141	1.9
158.00101	0.6
158.05930	0.7
158.09637	1.5
159.08064	2.8
159.09225	1.1
159.11661	1.0
161.09589	0.6
165.07053	0.7
166.07796	0.7
168.08080	4.2
168.09329	0.8
169.08876	4.5
170.09665	1.7
172.07590	1.6
173.09607	0.9
174.09149	2.0
181.10124	2.0
182.06042	0.7
182.09657	1.8
183.06755	0.6
183.08133	0.8
183.10396	6.4
183.11693	0.8
185.10799	0.9
186.09186	1.3
186.11519	2.0
194.09563	0.7
196.07603	3.8
197.08363	8.6
198.09180	1.5
198.12798	7.1
199.08665	7.2
199.12328	1.7
200.13068	0.7
208.11264	1.1
210.09116	2.5
210.11360	0.9
211.09932	16.5
212.09534	0.9
213.10251	13.8
214.11015	4.1
214.77588	0.6
215.15482	5.0
215.17407	0.8
225.11476	1.1
225.13835	1.5
226.12283	35.5
227.08302	1.1
227.11804	16.3
228.12569	28.9
239.11931	1.2
240.09048	0.8
241.09689	1.3
241.13397	1.3
242.10548	2.5
243.14955	26.1
253.13383	4.9
254.11794	2.6
255.11314	17.4
256.09421	1.1
256.12085	20.6
269.12885	0.9
271.06277	5.0
271.14420	100.0
271.16806	3.8
271.24136	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03222	0.9
56.96296	1.6
56.96570	25.4
57.03446	1.2
61.02901	1.1
62.93343	0.8
65.18742	0.9
69.03409	3.4
69.07105	1.0
70.06605	2.3
71.55559	1.2
71.95261	2.3
72.96031	1.8
73.02917	1.6
83.17709	1.0
83.97607	0.9
85.02914	6.1
86.09696	4.0
88.03986	1.1
92.05018	1.6
97.02894	3.5
98.97591	100.0
101.00880	3.6
107.21595	1.0
110.06038	2.6
110.97559	1.2
112.99135	1.2
116.00227	1.6
116.98631	36.0
119.01910	4.5
120.02021	1.3
121.01612	1.0
126.02269	1.0
128.98616	1.0
133.03468	1.1
134.99692	5.9
139.03912	3.7
140.03845	1.9
142.05415	2.4
145.04932	1.6
153.02240	1.6
155.01866	1.0
158.04921	2.2
160.06473	2.9
161.03050	1.1
166.50061	1.0
170.04886	1.9
171.03320	3.4
172.94373	3.0
178.07541	1.5
181.05003	2.7
188.05949	3.2
189.00716	1.2
189.04370	10.2
190.95361	1.2
193.03540	1.2
195.05028	2.2
206.07028	7.1
207.05472	2.7
209.02901	1.3
212.05957	1.7
216.98734	1.8
219.96188	1.2
224.08072	7.0
230.07027	41.0
231.05389	1.6
248.08086	53.3
266.09100	3.5
271.09671	1.3
271.14597	1.4
288.98889	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0602
Annotation	Apigenin
Peak:m/z	Relative Intensity
51.33244	0.1
53.63798	0.1
55.05504	0.1
66.87598	0.1
67.01864	1.4
68.99784	0.8
70.81692	0.3
74.47713	0.1
80.95358	0.1
89.45665	0.1
91.05492	1.1
95.04942	0.1
98.97609	0.1
111.00764	0.1
119.04947	4.6
121.02868	1.3
125.02296	0.1
129.01865	0.1
131.04855	0.1
141.07028	0.2
145.02855	1.1
153.01833	9.2
157.06525	0.1
163.03932	0.7
169.06459	0.2
171.02888	0.4
173.05965	0.2
174.11916	0.1
174.69537	0.1
176.63484	0.1
187.03915	0.2
197.05969	0.2
203.07123	0.2
225.05402	0.4
229.04927	0.5
243.06531	0.7
253.04901	0.2
271.06012	100.0
272.06427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0593
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.01872	0.1
65.03963	0.1
66.56841	0.0
66.99102	0.0
67.01865	1.2
68.99786	0.8
69.00161	0.1
70.95106	0.1
70.95428	0.1
74.11007	0.0
75.60010	0.0
80.93491	0.0
81.03436	0.1
91.05481	1.2
97.02905	0.0
107.01350	0.1
109.02932	0.1
111.00806	0.2
115.05434	0.1
119.04947	4.7
121.02867	1.4
124.07571	0.1
125.02367	0.1
127.03899	0.1
129.01830	0.3
131.04932	0.1
141.06992	0.2
145.02846	1.2
145.03999	0.1
148.07558	0.1
153.01831	9.8
155.04926	0.1
157.06531	0.1
159.04486	0.0
163.03920	0.9
169.06514	0.2
171.02907	0.5
173.05956	0.1
185.05890	0.1
187.03951	0.3
196.95151	0.0
197.06030	0.2
201.05630	0.1
202.06226	0.1
203.07088	0.2
211.03815	0.1
215.07115	0.1
215.66144	0.0
225.05444	0.6
229.04968	0.6
243.06461	0.7
247.06064	0.2
253.04996	0.2
270.05145	0.1
271.06009	100.0
272.06351	0.4
286.31717	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.2
56.96564	0.3
62.61426	0.1
67.01868	1.4
67.05497	0.3
68.99790	0.8
69.03445	0.1
69.07069	0.3
70.86803	0.1
79.05485	0.3
81.03420	0.2
81.07073	0.7
83.08614	0.2
91.05486	1.3
93.07040	0.5
95.08595	0.5
97.02901	0.2
97.06546	0.2
98.97596	0.8
103.05457	0.1
105.07014	0.4
107.08598	0.3
109.06541	0.2
109.10152	0.3
111.00733	0.1
116.98643	0.2
119.04946	4.6
119.08589	0.4
121.02878	1.5
121.06519	0.3
121.10132	0.4
123.11658	0.2
129.01831	0.3
131.04909	0.1
131.08545	0.3
133.10112	0.4
135.11668	0.2
137.06035	0.1
141.06976	0.3
145.02827	1.3
145.06638	0.2
145.10057	0.3
147.11670	0.2
153.01837	9.9
157.10210	0.2
158.99721	0.3
159.11681	0.2
161.13268	0.2
163.03903	0.8
165.07008	0.2
167.27534	0.1
171.02945	0.8
173.01102	0.1
173.05994	0.1
173.13319	0.2
183.07953	0.1
187.03848	0.1
197.06033	0.2
201.16621	0.1
203.07007	0.4
217.12183	0.3
225.05461	0.8
228.10133	0.1
229.04991	0.4
230.76553	0.1
235.13335	0.3
243.06525	0.6
253.05186	0.2
253.14291	0.2
271.06015	100.0
271.24036	0.7
272.06354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40369	0.7
51.36116	0.6
55.01884	1.0
56.96568	4.7
57.03444	2.1
59.03408	0.7
59.05011	3.8
61.02931	1.8
62.53994	0.7
63.20778	0.7
64.02306	0.8
69.03439	6.1
69.07092	0.8
69.79731	4.0
70.06601	3.9
71.04969	0.8
72.08162	6.7
73.02924	2.3
73.06559	100.0
79.05494	1.0
81.03410	2.4
84.08144	15.6
84.34372	0.7
85.02434	1.5
85.02912	22.0
85.08469	6.1
86.08813	1.0
87.04484	1.6
91.03934	0.9
91.07608	12.1
95.06028	0.8
95.08585	0.8
97.02900	7.4
97.06547	1.0
98.20758	0.8
98.97589	6.9
99.04499	0.8
109.02891	2.7
110.07137	1.9
110.97597	0.9
111.05652	0.7
116.98650	2.9
119.01970	1.0
120.11456	0.7
122.06034	4.2
125.82403	0.8
127.03948	4.0
128.98685	0.9
129.03926	0.8
131.01907	0.9
135.04579	0.8
137.05991	1.3
140.07079	0.8
144.10234	1.9
145.04996	4.3
150.05469	0.9
150.09117	7.0
152.10735	1.6
155.04654	0.9
156.03557	0.7
158.99707	2.0
161.01260	0.8
162.05524	1.3
163.05980	1.1
164.10713	0.9
165.07910	2.0
166.03214	4.9
167.11809	1.0
170.99550	0.8
173.06604	0.9
174.04311	0.7
177.00760	1.5
180.05525	2.9
182.11902	0.8
185.04958	1.1
187.04405	0.9
189.06013	5.0
191.09651	0.8
196.06821	1.1
198.06395	1.0
206.11845	2.5
207.12148	0.9
208.12413	5.6
217.03545	1.7
219.01773	1.4
221.16557	2.2
224.14252	0.9
227.07225	0.8
238.19154	6.2
247.01231	1.4
250.14383	1.0
252.15005	7.3
261.08264	1.9
270.08685	3.0
270.13538	3.0
270.16171	8.5
270.21707	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	270.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05221	1.3
53.03938	1.8
55.01864	2.2
55.05462	1.4
56.96567	42.4
57.03418	3.7
61.02928	3.0
69.03434	7.6
69.07058	2.7
69.86311	7.2
70.06586	6.4
70.98116	6.2
70.99873	2.2
71.05008	1.6
73.02910	4.7
73.06529	1.6
81.07061	1.2
82.99845	3.4
84.04486	1.7
84.08104	2.6
84.41839	1.3
84.96040	3.5
85.02904	14.1
87.04475	1.5
88.04027	2.4
88.99181	2.7
90.70388	1.4
97.01353	2.5
97.02883	8.4
98.06071	2.0
98.97584	22.9
100.02467	4.7
101.00884	57.2
104.10755	8.3
109.02866	1.5
110.07169	12.0
110.97549	3.4
113.00877	4.1
113.02507	1.3
115.02435	10.7
116.98622	13.7
119.01926	100.0
121.06520	4.2
124.02413	2.0
126.98792	2.7
127.02380	1.6
127.03914	4.6
127.08673	2.2
128.98611	4.1
129.03001	1.5
129.03931	3.3
131.00217	1.9
131.01886	10.1
131.99031	2.4
133.03476	17.5
134.99638	3.9
137.02975	12.0
137.05948	1.6
138.05501	5.1
140.05560	2.5
140.98602	3.9
140.99579	1.8
142.03520	4.1
143.00163	3.3
143.01897	6.1
144.99823	8.1
145.03479	3.6
145.05003	2.5
146.99675	8.8
147.01367	1.6
147.05023	3.3
149.02950	2.2
153.65639	1.5
155.08107	2.3
156.07634	1.7
157.03439	3.2
158.06613	12.8
158.99579	7.7
159.01387	3.0
161.01195	5.7
161.02913	7.0
161.85123	1.4
165.00697	3.2
168.99876	16.6
170.06642	4.7
170.99702	2.2
171.01328	3.1
172.99342	2.9
173.01460	1.5
173.02997	7.4
174.04405	2.3
175.04601	3.5
176.07666	6.9
176.98961	1.9
177.00838	2.8
177.02386	3.3
179.11743	2.6
182.03079	1.5
183.03419	1.5
184.08186	1.6
185.03021	2.9
186.01065	1.9
186.99132	6.3
187.00896	32.3
187.02567	2.4
188.07616	9.4
188.55034	3.1
189.00696	4.9
189.02409	1.5
189.06018	1.9
190.00153	1.5
191.02405	1.5
191.03961	6.4
196.99300	15.4
199.00900	3.3
201.00798	1.7
201.02434	6.4
202.09251	6.0
205.00362	7.5
205.01813	7.5
207.01711	2.9
210.02377	2.3
212.04004	2.1
214.03754	2.0
214.09235	1.7
215.00377	46.1
217.01936	5.0
219.01706	2.4
219.03539	5.8
221.05115	2.0
223.01190	2.2
224.13869	7.8
226.09180	1.8
229.02005	9.1
231.07034	1.6
233.01440	7.5
238.01945	2.0
241.06551	1.5
242.08890	2.3
244.10449	2.4
247.03069	23.3
251.02379	2.9
252.00224	2.9
256.02975	2.3
265.04099	5.7
270.01462	1.7
270.08463	7.8
270.14484	20.1
274.04300	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	269.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	3.2
55.05269	5.4
55.05516	68.5
57.00406	3.1
57.07082	47.0
63.54811	3.0
66.25048	3.3
67.05508	39.4
69.07071	100.0
71.05000	5.6
71.08634	26.7
71.55613	4.2
71.56004	4.1
79.05502	24.7
81.06605	3.7
81.07063	64.3
83.04989	8.8
83.08156	4.4
83.08630	70.9
85.06489	4.0
85.10164	8.2
91.05451	5.7
93.07049	46.8
95.08620	56.2
96.93140	3.7
97.06538	27.3
97.10174	45.3
99.08129	5.8
102.40906	3.2
107.08599	43.5
109.10156	28.4
110.07126	3.3
111.08096	17.7
111.11756	19.0
119.08652	3.5
121.10146	56.9
123.11716	18.8
125.09612	10.4
135.11703	39.5
137.13251	18.2
139.11168	12.8
149.13263	30.6
153.12758	9.2
163.14857	25.3
167.14307	4.3
177.16417	6.9
178.18440	3.6
181.15817	5.2
195.17577	4.3
195.21144	4.8
219.21098	90.3
226.10930	3.9
237.22104	51.1
251.19997	6.1
259.37021	3.4
269.07953	5.7
269.12616	5.9
269.15207	6.0
269.24847	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	269.19
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
52.55220	1.8
53.03948	4.0
55.01855	6.6
55.05508	20.4
56.96547	5.8
57.03419	8.1
57.07053	6.4
59.39937	2.2
62.09693	2.0
65.03928	3.5
65.48976	2.2
67.05184	3.4
67.05505	49.9
69.03421	6.2
69.07070	33.9
71.04974	4.6
71.56055	2.9
76.77702	2.0
79.05492	32.1
81.07055	56.2
83.04979	6.2
83.08614	16.4
84.08103	2.5
85.06527	3.8
91.05484	30.0
91.88669	1.8
93.07041	52.5
95.04978	26.8
95.08606	56.6
97.02857	2.3
97.06527	16.4
97.10139	3.8
99.08010	2.1
100.52416	1.9
103.05463	2.9
104.99242	4.6
105.07030	54.2
107.04929	2.6
107.08596	43.5
109.06501	17.0
109.10155	18.6
111.08050	5.6
111.11711	2.3
115.05466	4.4
117.07017	12.8
119.04937	2.0
119.08580	58.1
121.06503	6.7
121.10141	34.9
123.08076	11.8
123.11677	15.6
125.05942	2.3
125.09660	2.8
128.06230	10.4
129.06981	9.9
130.07727	4.3
131.08572	48.3
133.10133	35.4
134.87140	2.0
135.08043	13.5
135.11711	10.4
137.09624	3.2
139.07584	2.0
141.06950	5.0
142.07799	11.5
143.08557	34.5
144.09293	7.8
145.10120	49.0
146.10921	3.3
147.08011	5.7
147.11722	14.6
149.09602	7.4
149.13257	17.8
153.09151	2.2
155.08524	12.8
156.09357	19.3
157.10121	39.2
158.10881	13.9
159.11682	29.5
160.08835	2.2
160.12476	4.2
161.09604	4.7
161.13260	4.0
163.11147	3.6
163.14835	16.0
165.06985	5.3
167.08568	2.8
168.09381	3.0
169.10109	12.6
170.10901	14.7
171.08015	2.1
171.11670	48.4
172.12386	5.6
173.09593	2.6
173.11775	2.6
173.13260	53.6
175.11140	6.6
177.12685	5.2
179.08633	5.0
180.09389	3.4
181.10135	7.5
182.10927	2.6
183.11720	12.5
184.12511	4.4
185.09604	2.7
185.13248	51.8
186.14040	5.5
187.11197	2.7
187.14832	15.8
189.12735	5.1
191.14288	16.0
193.10138	4.7
194.10896	4.1
195.11656	11.1
195.13782	7.8
196.12512	5.4
197.13248	6.3
199.11165	6.8
199.14864	11.6
201.12730	3.3
207.11731	4.6
208.12393	2.4
209.13203	8.3
209.15331	7.1
211.11136	2.9
211.14841	16.7
213.12709	18.3
221.13229	4.1
225.16405	3.2
227.14252	4.6
228.05496	2.7
236.15604	2.8
237.14810	4.8
241.19540	10.8
251.14291	2.5
251.17876	8.1
251.20134	3.3
254.16740	2.6
255.15903	75.2
269.12778	8.1
269.19147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.31226	1.0
53.03938	4.4
55.01867	2.6
55.05511	15.3
55.79353	1.1
56.96547	1.7
57.03436	23.8
57.07071	5.1
65.03930	3.2
67.05504	73.3
69.03405	1.5
69.07066	27.7
71.04990	5.4
71.56607	1.1
79.05492	42.2
81.03404	1.7
81.07056	100.0
83.04971	7.3
83.08612	18.0
85.06532	6.2
86.35872	1.1
91.05479	22.8
93.07042	69.1
95.04971	6.9
95.08604	24.4
97.06533	17.0
97.10151	3.4
99.08105	6.1
105.07047	11.3
107.07869	2.2
107.08597	36.5
109.06503	4.0
109.10149	5.6
110.19389	1.1
111.08078	9.3
111.11678	1.2
117.07014	16.9
119.08595	4.3
121.06460	1.9
121.10146	16.1
123.11698	3.9
125.09621	1.7
127.07535	1.6
131.08559	13.9
133.10130	16.0
135.08032	3.8
135.11679	12.5
139.11176	1.1
147.11667	2.7
149.09599	1.4
149.13258	42.8
151.11127	2.1
157.10074	1.6
158.27113	1.2
159.11702	28.3
161.13248	3.2
167.14339	1.7
173.13231	1.6
177.12752	18.8
179.14322	4.4
185.13309	1.2
195.13783	17.5
212.85516	1.2
213.14886	1.6
239.17776	1.1
251.16394	1.5
269.17462	85.8
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
53.03936	2.3
55.01858	3.2
55.05273	1.3
55.05508	19.8
56.96549	2.7
57.03437	31.6
57.07053	4.6
65.03917	1.4
67.05506	76.8
69.03400	1.3
69.07068	27.6
69.67462	6.3
71.01328	1.3
71.04989	7.6
71.08623	1.2
79.05495	41.0
81.03432	1.4
81.07059	100.0
83.04973	9.2
83.08623	19.2
85.06528	5.9
91.05479	26.1
93.07046	70.0
95.04971	6.1
95.08610	28.4
95.09200	0.7
97.06538	16.5
97.10141	2.6
98.21454	1.9
99.08091	5.9
105.07023	10.7
107.04923	1.4
107.08598	32.1
109.06516	5.2
109.10129	4.9
111.04486	1.2
111.08081	9.3
113.05985	1.3
113.09630	1.4
117.07032	10.9
119.08569	2.4
121.06484	3.5
121.09330	1.8
121.10141	21.5
123.08060	1.8
123.11665	2.9
125.09644	1.3
129.06990	1.2
131.08578	11.9
133.10120	11.0
135.08063	2.9
135.11691	11.6
139.07526	1.9
139.11153	2.7
145.10080	1.7
147.11644	2.3
148.43649	1.1
149.09607	1.4
149.13264	47.2
151.11108	1.5
157.10188	1.3
159.10486	1.6
159.11697	25.9
161.13223	2.3
167.14301	2.1
177.12778	14.6
177.14352	1.5
177.14943	1.0
179.14276	2.0
188.63297	1.2
195.13800	17.1
248.61794	1.2
269.17435	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
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
53.03934	4.6
53.55198	1.3
54.15656	1.5
55.01871	3.8
55.05508	20.3
57.02448	1.3
57.03437	31.0
57.07061	2.8
57.88340	1.3
61.58870	1.5
67.05502	78.1
69.07065	28.3
71.04994	7.5
79.05491	48.2
81.03394	1.7
81.07054	100.0
83.04996	9.2
83.08612	17.9
85.06514	4.8
91.05486	26.2
93.07040	74.0
95.04942	5.9
95.08050	2.4
95.08606	25.0
97.06532	20.5
97.10180	2.8
99.08092	4.6
105.07006	8.9
107.08585	34.7
107.49275	1.5
109.06505	3.5
109.10146	3.3
111.08086	8.3
117.07029	13.6
119.08558	4.6
121.06514	2.3
121.10141	17.4
123.11697	3.6
125.09631	2.2
131.08574	15.7
133.10127	15.1
135.08084	2.6
135.11678	14.1
139.11188	2.4
147.11661	1.4
149.13249	47.9
151.11179	2.6
159.11687	35.4
161.13255	6.2
173.13342	1.9
177.12743	21.3
179.14293	5.9
195.13840	17.9
213.14861	2.9
269.17462	95.2
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	Trichotriol
Peak:m/z	Relative Intensity
53.03941	3.2
55.01866	3.8
55.05510	17.7
57.03189	2.0
57.03438	27.4
57.07066	3.1
65.03958	1.7
67.05507	74.6
69.07072	29.4
69.39156	12.6
71.04986	5.7
79.05068	3.0
79.05494	43.3
81.03363	1.7
81.07059	97.3
83.04977	8.8
83.08620	17.5
85.06531	6.3
91.05480	28.1
93.07044	70.2
95.04951	5.6
95.08613	24.7
97.06525	18.5
97.10175	2.1
99.08086	6.5
105.07044	10.7
107.08598	36.0
109.06503	3.3
109.10137	3.9
111.08070	11.1
117.07023	11.9
119.08574	4.5
121.06561	1.9
121.10136	18.7
123.11684	2.4
131.08580	13.3
133.10132	12.1
135.11681	13.5
146.37335	1.5
149.13266	44.9
159.11705	33.7
161.13185	6.5
177.12746	22.1
179.14313	6.2
195.13823	15.9
236.39977	1.6
269.17477	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03940	2.3
55.01862	3.9
55.05511	20.0
57.03440	32.3
57.07066	3.4
65.03931	3.5
66.66087	1.2
67.05505	80.2
69.03446	1.2
69.06731	2.2
69.07071	27.0
69.74561	7.8
71.04982	5.7
71.08652	1.7
77.03942	1.8
79.05495	47.5
81.03458	2.0
81.07057	100.0
83.04987	9.1
83.08619	23.4
85.06542	5.5
91.05480	30.0
93.07045	79.3
95.04974	6.0
95.08614	25.5
97.06528	15.8
97.10147	2.3
98.20836	1.9
99.08085	3.9
105.07034	9.0
107.08603	34.6
109.06523	3.8
109.10137	3.8
111.08073	9.8
113.05990	1.6
117.07038	12.6
119.08562	3.7
121.06512	1.7
121.10133	16.0
121.86616	1.2
123.08078	1.4
123.11727	3.3
127.07538	1.7
131.08566	12.6
133.10136	15.5
135.08043	3.3
135.11693	11.1
149.09642	1.4
149.13260	53.0
151.11134	1.9
154.32094	1.6
159.11703	35.3
161.13281	1.7
167.14403	1.8
168.45480	1.5
175.48233	1.2
177.12753	14.6
179.14412	2.0
195.13800	20.1
213.14922	2.0
225.37639	1.4
251.16460	1.6
269.17484	86.2
270.85043	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	[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
53.03939	3.1
55.01871	3.9
55.05516	19.3
56.31551	1.5
57.03198	2.5
57.03442	33.5
57.07071	3.3
67.05508	73.4
69.06732	2.1
69.07072	29.2
69.35371	15.1
69.35719	3.1
71.04993	4.3
78.03012	1.6
79.05496	46.9
81.03434	2.0
81.07061	100.0
83.04993	12.3
83.08620	22.3
84.20920	1.4
85.06538	5.4
87.91489	1.5
91.05491	28.3
93.07047	73.0
95.04962	5.9
95.08050	2.9
95.08612	31.1
97.06527	18.4
97.10149	2.2
99.08088	5.2
105.07029	9.5
107.08604	39.4
109.06526	3.2
109.10126	4.2
111.08093	9.7
117.07009	14.2
117.94892	1.7
119.08566	4.9
121.10153	21.1
123.11715	3.7
124.07465	1.7
131.08557	15.5
133.10127	15.7
134.81847	1.7
135.08008	2.9
135.11703	11.9
139.11182	1.9
147.11708	1.9
149.13269	50.8
159.11696	32.7
161.13203	2.1
167.14265	2.0
177.12772	19.9
179.14380	3.3
195.13817	19.8
213.14906	1.8
216.62511	1.7
218.42094	1.7
227.54048	1.6
269.17474	95.4
279.44675	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03938	5.2
55.01862	4.4
55.05267	2.2
55.05511	22.1
57.03437	31.4
57.07073	3.5
57.94679	2.2
65.03922	2.9
67.05508	81.7
69.06731	2.5
69.07077	33.3
69.75263	4.0
69.75677	7.2
71.04994	6.2
79.05067	3.0
79.05497	42.3
81.07059	100.0
83.04984	9.2
83.08620	21.0
85.06539	6.1
91.04969	2.6
91.05487	27.2
93.07047	74.0
95.04974	4.3
95.08608	26.0
97.06538	19.3
97.10146	2.1
99.08053	4.4
105.07047	11.7
107.08593	36.6
109.06525	3.6
109.10160	3.3
111.08092	10.8
117.07024	12.9
119.08598	3.0
120.67942	1.8
121.06500	1.9
121.10144	18.2
123.11669	2.5
125.09591	2.4
127.80305	1.9
128.77164	1.9
131.08589	14.1
131.64508	1.8
133.10112	15.7
134.23116	1.9
135.08037	3.7
135.11708	15.1
149.13257	54.0
151.11214	2.7
157.87781	2.0
159.11714	31.9
161.13300	4.2
167.14320	2.7
177.12749	19.8
188.61072	1.9
195.13853	20.2
269.17484	85.3
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	3.9
55.01859	1.8
55.05264	1.4
55.05511	20.9
57.03437	25.2
57.07055	4.8
57.07312	1.1
65.03924	2.7
67.05504	79.5
69.06736	1.9
69.07069	27.7
70.08581	1.1
70.95210	2.2
70.95532	1.5
71.04989	5.8
71.08647	1.5
72.35604	1.1
72.40054	1.3
75.75479	1.2
79.05493	49.6
81.03411	2.6
81.07056	100.0
83.04980	9.6
83.08617	19.0
85.06543	6.5
91.05481	24.2
93.07045	70.6
95.04968	6.4
95.08601	30.0
97.06544	19.8
97.10143	1.6
99.08072	5.8
105.07029	11.7
107.08595	32.1
109.06494	4.2
109.10178	5.5
111.08065	9.4
113.06033	1.5
117.07018	14.8
119.08541	3.4
121.06491	2.0
121.10152	19.3
123.11678	3.7
131.08568	13.4
133.10130	15.1
135.07994	2.6
135.11690	13.4
145.10057	1.2
147.11667	2.4
149.13255	45.4
151.11136	2.2
157.10110	2.6
159.11703	32.1
161.13248	6.2
167.14221	1.5
177.12741	18.7
179.14304	5.2
195.13818	18.7
251.16391	1.5
269.17438	98.8
278.21747	1.3
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
53.03933	3.9
55.01858	2.8
55.05509	22.2
55.44432	0.8
57.03438	31.4
57.07060	2.8
61.80687	0.8
65.03924	2.5
67.05505	80.4
69.03424	1.5
69.07067	27.4
70.00136	4.0
70.49610	1.0
71.01358	1.0
71.04982	7.1
71.08630	1.0
73.02912	0.9
77.73863	0.8
79.05492	49.7
81.03410	3.1
81.07056	100.0
83.04982	10.2
83.08616	20.7
85.02857	1.1
85.06550	5.8
91.05481	27.2
93.07043	70.9
95.04953	7.0
95.08609	27.1
97.05927	1.1
97.06531	16.4
97.10168	2.0
99.04447	1.6
99.08106	4.2
104.34875	0.9
105.07019	11.1
106.27378	0.9
107.04899	0.9
107.08595	36.3
109.06541	5.2
109.10151	5.2
111.08087	7.9
113.05971	1.6
113.09573	1.2
115.05470	0.9
117.07026	13.2
119.06094	1.0
119.08566	3.9
121.06490	2.5
121.10143	17.7
121.48569	0.8
123.11712	5.1
125.09623	1.6
131.08572	16.0
133.10127	16.1
135.08046	2.8
135.11703	13.4
139.07492	1.2
139.11159	1.3
143.01883	2.4
143.08508	1.2
145.10147	1.0
147.11618	1.7
149.09647	2.2
149.13261	42.5
151.11160	2.7
157.10190	1.0
159.11688	28.3
161.02925	1.6
161.13249	3.4
173.13199	1.7
173.46793	0.9
177.11234	1.1
177.12756	18.1
179.14301	2.1
195.13809	19.2
206.09616	0.9
213.14842	1.6
244.42984	0.9
269.17447	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
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
53.03928	3.8
55.01865	4.0
55.05273	1.9
55.05513	23.9
57.03439	28.3
57.07059	4.8
65.03918	2.4
67.05505	81.8
68.59816	1.3
69.06738	1.9
69.07073	27.4
70.81462	2.5
70.81834	2.8
71.04974	5.1
75.44508	1.5
77.03928	1.6
79.05489	46.6
81.07056	99.1
83.04989	10.8
83.08620	18.9
83.46918	1.4
85.06538	6.9
90.96714	1.3
91.05479	29.7
93.07047	82.7
95.04960	6.0
95.08058	2.2
95.08607	27.5
97.06529	22.6
97.10172	1.5
99.04464	2.0
99.08102	6.6
105.07036	13.4
107.08598	38.4
109.06527	3.3
109.10162	4.9
111.08099	7.7
113.05975	1.7
117.07012	15.4
119.08559	3.2
121.06464	2.1
121.10130	17.9
123.11674	3.1
131.08569	16.2
133.10149	17.1
135.08098	2.2
135.11700	15.2
139.11172	2.1
143.16064	1.3
147.11652	1.5
149.13255	52.0
151.11166	2.4
157.10130	2.1
159.11690	34.2
161.13269	3.2
177.12743	21.5
179.14291	5.6
191.14369	1.9
195.13800	18.5
213.14806	3.3
230.84993	1.4
251.16249	2.1
269.17468	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.55281	1.6
52.47316	1.5
53.03939	3.9
55.01863	2.8
55.05516	19.2
56.96552	5.0
57.03190	2.0
57.03444	25.8
57.07067	4.9
65.03934	3.0
67.05508	83.8
69.07069	27.2
69.28472	14.6
71.04974	5.5
76.04333	1.5
79.05067	3.1
79.05498	47.7
81.03416	2.5
81.07063	100.0
83.04990	8.5
83.08627	24.5
85.06522	6.2
91.05490	31.5
93.07048	77.6
95.04961	4.6
95.08612	27.6
97.06544	19.9
97.10188	2.9
99.08084	6.0
105.07041	11.1
107.08602	36.3
109.06523	4.2
109.10149	5.1
111.08089	10.3
113.06024	2.1
117.07015	14.4
119.08588	5.1
121.06496	2.1
121.10146	15.9
123.11707	5.1
131.08574	16.1
133.10143	18.8
135.08040	2.0
135.11674	12.2
147.11679	7.2
149.13266	43.4
151.11172	2.2
157.10143	3.5
157.93216	1.6
159.11703	34.9
161.13271	4.1
167.14223	2.7
175.11298	1.9
177.12761	21.6
179.14322	5.9
195.13800	19.2
198.92181	1.7
229.14352	3.1
241.11203	8.0
245.49139	1.6
259.12189	6.7
269.17487	97.9
285.10095	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	267.1955
Annotation	Juvenile hormone III
Peak:m/z	Relative Intensity
53.03955	8.0
55.01869	2.1
55.05508	14.7
56.96560	1.8
57.03420	1.8
57.07083	2.5
62.31440	1.5
65.03945	3.0
67.05506	54.9
69.03417	4.2
69.07066	12.6
71.56387	1.9
76.19725	1.5
79.05494	72.8
79.47280	1.4
81.03408	6.3
81.07058	27.3
83.04987	16.2
83.08597	5.3
85.06553	2.6
91.04908	2.1
91.05483	41.0
93.07047	100.0
95.04982	13.5
95.08604	19.7
97.06538	4.1
97.10139	2.2
98.98503	2.3
99.08118	1.7
105.07045	15.1
107.04948	2.3
107.08594	27.2
109.02902	1.8
109.06476	2.5
109.10149	9.6
111.08090	2.5
117.07004	6.3
119.08576	16.4
121.06515	1.8
121.09322	2.9
121.10152	44.8
123.08035	2.8
129.07007	2.6
131.08551	8.0
133.10139	16.4
135.08037	6.3
135.11729	10.9
142.07706	1.7
143.08563	3.7
145.10080	4.2
147.11705	3.6
149.09639	2.2
151.11205	3.5
153.09058	4.2
157.10103	4.5
161.09663	1.7
171.11702	4.2
175.14798	5.0
189.16393	5.0
199.14836	6.6
200.25281	1.4
217.15941	3.6
235.13303	3.7
235.16945	35.2
253.19168	1.9
259.77386	1.7
267.15900	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	267.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81849	0.6
53.03936	0.9
55.01869	2.1
55.05515	5.2
57.03438	0.6
57.07061	0.7
67.05507	12.7
69.03429	100.0
69.07077	4.0
69.77406	3.0
71.04991	1.6
72.87531	0.7
79.05498	8.8
81.07052	16.8
83.04988	2.5
83.08619	2.6
85.06543	1.6
90.48127	0.6
91.05485	12.3
93.07043	10.2
95.04993	2.2
95.08607	10.2
95.09165	0.8
97.06529	10.3
97.10173	1.9
98.21413	1.0
99.08093	1.1
105.07033	8.4
107.08586	8.5
109.06496	4.7
109.10162	7.8
111.04469	1.9
111.08102	2.5
117.07020	1.2
119.08585	6.7
121.06506	1.7
121.10144	6.6
123.08072	5.1
123.11707	2.5
125.06026	2.2
125.09635	1.0
127.07554	0.9
129.07060	1.1
131.08598	2.0
133.10132	19.2
133.11078	1.0
135.08076	1.0
135.11723	2.6
137.09616	4.1
143.08578	1.4
145.10168	0.7
147.08122	0.8
147.11647	4.7
149.09621	3.7
149.13264	3.3
151.11171	6.3
151.12180	0.7
157.10181	2.4
159.11659	0.9
161.09610	1.1
161.13240	1.1
165.12758	1.6
173.13344	1.0
175.11230	1.8
175.14911	1.2
189.16365	5.6
193.12312	1.0
199.14842	4.2
201.72238	0.7
207.17490	4.6
217.15906	5.7
235.16925	46.3
246.13799	3.3
246.64128	1.5
251.37238	0.7
253.18373	0.7
266.65170	0.7
267.19537	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	267.1955
Annotation	Juvenile hormone III
Peak:m/z	Relative Intensity
55.01878	1.7
55.05514	4.5
57.03446	1.3
57.07064	0.9
62.51331	0.7
64.88995	0.5
65.03951	0.8
65.62987	0.5
67.05507	18.3
69.03431	100.0
69.07061	7.0
70.28899	2.4
71.05002	1.3
71.39586	0.6
75.58964	0.7
76.36435	0.6
79.05489	15.6
81.03426	1.2
81.06580	1.3
81.07059	23.2
83.04984	2.5
83.08623	3.7
85.06555	1.6
91.05486	18.2
93.07047	17.6
95.04977	3.0
95.08611	16.5
97.06533	8.9
97.10191	1.3
98.98472	0.9
99.08083	1.4
105.07040	8.3
107.08594	11.7
109.06525	6.0
109.10153	8.2
111.04446	2.2
111.08105	2.2
117.07021	5.0
117.76036	0.7
119.08586	8.5
121.06550	1.6
121.10145	12.4
123.08088	4.6
123.11738	3.3
125.09645	0.8
127.07525	0.8
129.07050	1.6
131.08583	5.7
133.10135	19.1
135.08064	1.9
135.11711	2.3
137.09618	4.6
143.08606	2.7
145.10124	1.4
147.11682	7.0
149.09601	3.4
149.13330	2.2
151.11189	6.2
153.09180	0.9
157.10153	3.4
161.09804	0.8
161.13242	1.1
165.12769	1.3
167.14491	0.8
171.11761	1.4
173.13298	1.2
175.11269	1.4
175.14859	2.0
189.16406	7.0
193.12328	1.3
199.14804	6.1
207.17444	5.8
217.15863	8.3
235.16936	46.8
236.17238	0.7
253.18024	1.1
267.19528	6.1
267.21960	0.8
269.79279	0.7
287.16428	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1954
Annotation	Juvenile hormone III
Peak:m/z	Relative Intensity
52.86408	0.7
55.01870	1.5
55.05508	4.4
56.96561	1.5
67.05505	17.4
69.03431	100.0
69.07068	4.3
69.87605	2.2
69.88023	1.7
71.05000	1.7
79.05493	9.7
81.03410	0.7
81.07056	18.5
83.04992	1.0
83.08621	2.8
85.06538	1.5
91.05481	11.7
93.07050	11.4
95.04440	0.6
95.04987	2.9
95.08605	13.2
97.06545	10.1
97.10172	1.1
98.20695	0.7
98.98460	6.1
99.08113	1.2
105.07027	8.4
107.08586	10.3
109.06527	4.3
109.10169	7.8
109.26693	0.7
111.04464	2.4
111.08090	2.6
117.07057	0.8
119.08596	6.7
121.06501	1.3
121.10155	7.7
123.08052	4.8
123.11733	1.9
125.05991	0.9
125.09598	1.2
127.07584	0.8
129.07034	0.8
131.08574	3.8
132.23584	0.7
133.10132	21.5
135.08081	1.3
135.11668	1.7
137.09630	4.4
143.08554	1.3
144.74933	0.8
145.10143	1.0
147.08171	0.8
147.11661	5.0
149.09612	3.9
149.13287	2.9
151.11186	5.5
157.10155	1.9
159.11732	0.8
161.13293	0.8
165.12817	1.4
165.16399	1.1
171.11693	0.9
173.13370	1.2
175.11238	2.4
175.14864	2.0
189.16342	5.6
193.12306	1.5
199.14839	4.7
207.17491	5.4
214.35405	0.7
217.15883	6.7
221.50836	0.6
235.16920	43.2
267.19501	4.3
268.47620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03941	1.3
55.01876	1.3
55.05513	8.8
57.03439	4.3
57.07075	0.9
57.28275	0.5
59.04993	0.6
65.03939	0.6
67.05506	27.6
69.03431	0.8
69.07070	12.1
70.88900	1.2
71.04990	2.7
79.05492	14.4
81.03434	1.2
81.07058	66.9
82.07422	0.5
83.04980	5.5
83.08620	5.1
85.06554	4.0
88.43471	0.5
91.05485	20.8
92.43937	0.4
93.07049	9.7
95.04978	2.0
95.08606	18.4
97.06536	4.9
99.08096	3.6
101.06025	1.0
105.07031	24.6
107.04939	0.6
107.08600	8.3
109.06544	3.2
109.10162	2.0
111.08108	1.6
113.05984	0.7
117.07063	0.9
119.08588	17.7
121.10146	12.5
122.56837	0.5
123.08059	2.8
123.11707	17.0
127.07564	1.8
129.06989	1.0
131.08572	1.2
133.10146	3.2
135.11696	0.5
137.13263	1.3
141.09119	0.5
145.10181	0.7
147.11688	42.0
157.10146	1.9
165.12753	17.3
175.11203	1.9
183.13776	2.0
193.12244	1.2
229.14333	0.6
267.15915	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Rugosal A
Peak:m/z	Relative Intensity
51.50001	0.9
53.03935	3.5
55.01862	3.2
55.05509	17.9
56.96556	2.1
57.03195	1.5
57.03437	17.5
57.07067	1.2
60.19961	0.9
65.03927	3.0
67.05505	51.7
69.03422	1.6
69.07066	16.9
69.41576	5.4
69.41991	1.5
71.05003	4.3
77.03883	0.9
79.05493	44.8
79.74254	1.0
81.03423	14.3
81.07056	89.0
83.04979	27.2
83.08619	8.3
85.06519	4.4
91.05479	53.5
93.06476	1.8
93.07040	26.4
93.53618	0.9
95.04981	10.7
95.08606	28.0
97.02879	2.2
97.06539	7.1
97.10178	1.1
98.20719	1.6
98.97556	0.9
99.08094	3.8
101.05970	1.1
103.03913	1.2
103.05482	1.5
105.04546	1.2
105.07030	44.0
106.60792	0.9
107.04964	7.4
107.08601	9.6
109.06525	7.3
109.10113	2.7
110.46409	0.9
111.08068	2.5
113.06013	1.3
115.05362	0.9
117.06992	2.1
119.08578	29.1
121.10141	13.5
123.08047	4.5
123.11708	17.6
125.09646	1.3
127.07529	3.4
129.07010	7.3
131.08568	11.0
133.06474	2.5
133.10132	23.5
135.08047	1.1
135.11769	1.1
142.07805	2.1
145.10106	3.4
147.08009	2.9
147.11690	51.2
149.09610	2.2
157.10118	14.0
163.11140	2.3
165.09171	1.2
165.12749	18.0
175.11177	11.6
193.12280	7.3
207.10237	1.6
225.11279	2.1
249.14893	1.0
267.09174	2.7
267.15918	100.0
285.10059	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	266.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
64.08269	0.2
69.89877	1.1
72.39493	0.2
82.99856	1.1
83.47690	0.2
98.97585	0.5
101.00888	6.7
116.98776	0.6
119.01926	6.3
122.97830	0.3
134.99875	0.4
137.02927	0.4
140.98824	1.8
157.01961	0.4
158.99895	5.6
165.99623	0.3
175.03088	0.5
177.00958	14.6
181.57352	0.2
182.99861	1.7
188.97502	0.3
199.03014	0.6
201.00951	5.0
217.04117	2.9
219.02022	21.5
220.02196	0.3
225.00896	2.6
234.00574	0.3
241.97328	0.4
242.03606	0.3
243.02019	14.2
261.03070	100.0
262.03159	1.1
263.03421	0.3
266.08090	0.3
284.04672	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01860	0.5
55.05507	2.4
56.96551	0.7
57.03450	1.9
59.35152	0.3
64.57982	0.3
67.05510	4.6
69.03420	0.6
69.07069	1.9
70.03799	0.3
70.04128	1.6
71.04995	0.8
79.05488	3.5
81.03407	1.6
81.07063	6.3
83.04961	2.2
83.08613	1.4
86.01267	0.3
91.05479	4.9
93.07047	3.4
95.04965	1.5
95.08606	3.1
95.67416	0.4
97.02899	0.5
97.06517	1.3
97.10179	0.6
98.21378	0.5
98.97572	1.6
99.08091	0.8
100.11240	1.8
105.07023	3.9
105.77588	0.3
107.04972	1.3
107.08606	1.8
107.09215	0.4
109.06520	0.5
109.10155	1.2
111.08060	0.6
116.98667	0.6
117.07046	0.5
117.13857	0.5
119.08562	3.0
121.06466	0.4
121.10159	1.7
123.08092	0.8
123.11684	1.1
125.09644	0.5
129.07001	1.2
131.08569	1.2
133.10124	2.7
135.11697	0.5
137.05937	0.6
137.09650	0.5
137.28302	0.3
138.57962	0.3
143.08551	0.4
145.10136	0.9
147.08110	0.6
147.11667	3.5
149.09671	0.5
155.08653	0.4
157.10143	2.0
158.99710	0.4
165.09158	0.4
165.12726	0.6
168.13818	0.5
171.11664	0.4
173.13284	0.6
175.11172	1.4
176.07065	0.7
182.15508	0.5
185.16457	0.7
187.06070	0.3
193.08424	2.3
193.12201	0.7
197.13211	0.5
207.10226	0.7
209.07866	11.5
211.14740	0.4
225.09114	0.4
225.11308	0.5
231.13747	0.6
235.09505	1.3
249.11037	4.4
249.14986	0.5
249.18472	0.4
267.12030	100.0
267.15765	4.8
267.20847	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	265.2163
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
51.82893	0.6
53.03957	0.7
55.01886	1.4
55.05513	10.0
56.96569	2.4
57.03431	0.7
57.07071	2.3
57.48990	0.8
60.87965	0.7
65.03949	1.9
67.05507	100.0
69.03416	0.8
69.07066	7.8
71.05006	1.4
71.56646	1.0
73.06565	1.6
77.56030	0.6
79.05499	11.6
81.03435	1.9
81.07059	89.4
83.04982	5.9
83.08622	4.1
85.06538	4.7
91.05484	7.4
93.07054	12.2
95.04958	4.6
95.08609	67.5
97.06553	2.6
97.10168	3.0
99.08084	1.0
101.06055	1.5
105.07026	6.4
107.04973	2.1
107.08612	8.6
109.06532	2.9
109.10162	43.1
111.08117	1.7
111.11699	0.8
113.06037	1.1
117.07053	2.4
119.08581	6.2
121.06544	2.1
121.10162	8.2
122.07172	4.1
123.08096	2.9
123.11710	24.5
125.05997	6.7
125.09651	0.9
127.76703	0.8
129.06955	1.1
131.08601	6.2
133.10130	5.4
135.08055	3.8
135.11696	5.2
137.09682	3.3
137.13251	5.5
144.04755	1.0
145.06516	0.7
145.10152	4.2
147.08113	1.5
147.11699	3.4
149.09680	3.2
149.13277	2.9
151.11208	1.4
159.11743	3.1
161.13272	1.0
163.11244	2.5
163.14929	1.5
165.12828	1.4
167.10690	1.1
171.11649	0.8
173.09653	1.0
173.13274	4.8
175.11317	1.1
177.09119	1.1
177.12793	1.9
181.12277	1.3
186.40469	0.7
187.14874	3.1
189.12741	1.0
191.10736	0.9
191.14336	1.7
195.12213	0.7
195.13780	3.4
197.13246	0.8
202.80545	0.7
205.15895	0.8
209.13486	0.8
209.15411	2.3
215.14473	2.2
223.14909	0.8
223.16882	1.6
229.19611	2.8
233.15352	6.6
241.98820	1.3
242.11629	0.8
247.17014	2.5
247.20665	2.9
265.08005	1.2
265.11301	0.8
265.14316	2.5
265.18146	8.5
265.21735	26.3
271.83478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2162
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03942	1.7
55.05509	10.0
56.96558	2.3
57.03435	1.8
57.07058	1.4
65.03926	2.7
65.04241	0.8
67.05508	100.0
68.47554	1.0
69.07069	10.9
70.66804	0.8
71.04987	1.3
71.56469	1.3
79.05496	14.7
81.03419	4.6
81.07059	97.5
83.04965	1.1
83.08640	5.0
85.06535	2.1
91.05487	5.8
93.07052	14.6
95.04970	7.1
95.08611	88.2
97.06540	1.1
97.10161	1.3
105.07016	3.8
107.08597	9.3
109.06504	2.6
109.10162	65.2
110.00018	0.9
111.08137	1.1
111.11742	1.1
117.07027	2.9
119.08576	4.3
121.06496	2.0
121.10160	7.2
122.07152	2.9
123.08095	2.7
123.11719	30.2
123.13553	0.9
125.09628	1.3
129.06953	0.9
131.07715	0.8
131.08540	5.0
133.10130	3.9
135.08034	1.3
135.11670	4.3
136.58684	0.9
137.06078	0.9
137.09615	1.8
137.13243	5.1
145.10130	3.4
147.11678	3.2
149.09633	1.6
149.13274	3.4
151.11188	1.1
151.14789	1.5
155.08505	1.0
157.47272	0.9
159.11684	3.4
163.11198	1.8
163.14845	1.6
165.12709	1.5
173.13245	2.7
177.12747	2.6
181.12276	1.3
187.14865	2.3
191.14246	1.5
195.13835	2.8
209.15343	3.6
215.14348	2.1
223.16940	1.4
229.19479	2.0
233.15289	3.7
234.84949	0.9
247.20570	5.7
255.16713	0.8
263.40427	1.0
265.18390	3.3
265.21634	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	265.2162
Annotation	(E)-Nerolidol acetate
Peak:m/z	Relative Intensity
53.03942	1.6
54.61442	0.8
55.01854	0.8
55.05507	8.9
56.96576	1.2
57.07085	2.2
65.03935	2.3
67.05505	100.0
69.07067	9.4
71.04993	1.2
79.05490	11.4
81.03422	2.4
81.07056	99.0
83.04979	1.2
83.08627	5.3
84.96019	0.8
85.02843	0.7
85.06543	2.0
91.05489	4.4
93.07042	12.2
95.04985	2.2
95.08607	91.1
96.32648	0.7
97.06541	2.2
97.10177	2.9
99.08076	1.3
105.07039	5.0
107.08584	8.3
109.06538	3.3
109.10156	74.2
111.08106	0.8
117.07011	1.0
119.08609	3.5
121.10142	7.7
122.07149	2.1
123.08089	1.3
123.11703	34.1
125.09656	0.7
126.78212	0.8
127.07549	0.7
131.08543	4.8
133.10135	3.8
135.08061	1.9
135.11691	4.4
137.09587	1.2
137.13254	7.3
145.10139	3.7
147.11688	3.1
149.09636	2.0
149.13261	3.0
151.11206	1.3
151.14838	1.6
155.10704	1.0
159.07954	0.7
159.11720	3.1
163.11151	1.9
163.14795	1.9
165.12794	1.0
167.10757	1.1
171.11688	1.2
173.13324	3.3
177.12827	1.3
181.12222	1.2
187.14835	2.5
187.34225	0.6
191.14314	1.9
195.13806	3.0
201.16446	1.0
205.15942	0.8
209.15308	3.6
223.17001	1.7
229.19498	3.1
233.15450	2.9
247.16876	1.1
247.20628	4.7
265.21625	81.1
270.12723	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1799
Annotation	Secoswartzianin B
Peak:m/z	Relative Intensity
53.03941	1.7
55.01874	4.2
55.05260	0.7
55.05508	7.5
56.96559	1.1
57.03431	1.0
57.07059	1.8
65.03942	1.1
65.43727	0.5
67.05505	23.0
69.03426	1.1
69.07065	9.9
69.39218	0.5
71.04988	0.6
71.08640	0.6
71.57149	0.9
73.06528	0.5
79.05495	23.1
81.03407	1.5
81.07058	27.3
83.04983	9.4
83.08613	2.3
83.09046	0.5
85.06535	1.5
85.10164	0.6
91.05482	17.5
93.06477	1.0
93.07043	16.7
93.85983	0.5
95.04975	21.6
95.08060	0.9
95.08613	12.7
97.06512	1.9
97.10145	2.1
105.07032	14.1
107.04955	12.5
107.08593	10.8
109.06519	19.5
109.10151	10.4
111.08051	1.1
115.05474	0.7
117.07005	9.1
119.08578	8.8
121.06506	6.0
121.09328	0.6
121.10150	7.5
122.07144	2.4
123.04427	9.4
123.08061	3.8
123.11716	4.0
125.05963	1.5
125.09634	0.5
129.06999	2.5
131.08578	10.3
133.06477	2.8
133.10132	6.6
135.08060	5.9
135.11685	3.1
137.05952	0.7
137.09599	1.7
141.06961	1.5
143.08543	2.1
145.06441	0.8
145.10123	8.2
147.08052	1.7
147.11676	3.2
149.09601	2.1
149.13300	0.6
151.11145	1.2
155.08514	1.1
157.10133	1.9
159.08055	0.9
159.11681	4.5
161.13268	2.5
163.11151	0.9
165.09204	0.6
169.10193	1.2
171.11684	3.4
173.09608	1.0
173.13235	3.9
173.73433	0.5
179.08589	1.3
185.13367	0.6
187.14839	8.1
191.14331	1.2
194.10930	0.8
195.11575	0.7
197.13248	2.9
205.15862	13.4
209.13264	2.2
215.14326	4.1
223.14822	1.6
233.15364	100.0
241.98781	0.8
251.16432	3.8
252.44452	0.6
265.14194	1.2
265.17813	2.8
265.20020	3.5
265.21753	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	265.1797
Annotation	Quadrangulin A
Peak:m/z	Relative Intensity
52.79537	0.7
53.03942	3.1
54.93737	0.8
55.01865	2.5
55.05511	12.2
56.96551	3.9
57.03436	2.3
57.07077	1.6
58.16808	0.9
65.03940	4.5
67.05504	100.0
69.03437	0.9
69.07072	13.9
69.68898	1.4
69.69305	2.6
71.04995	2.7
75.50368	0.7
77.03908	0.9
79.05491	26.9
81.03420	34.3
81.07055	92.2
83.04985	3.4
83.08611	5.4
85.02885	0.9
85.06530	3.3
91.05479	26.1
91.62666	0.9
93.07044	22.2
95.04966	30.6
95.08606	76.4
97.02897	0.7
97.06523	4.6
97.10184	2.7
98.20737	1.1
98.97592	1.5
99.08061	1.7
103.05441	2.1
105.07021	23.3
107.04957	6.2
107.08591	14.3
109.06521	9.3
109.10152	52.5
111.08092	3.0
113.05985	0.9
117.07027	9.9
119.08579	16.7
121.06516	10.5
121.10152	10.0
122.07162	2.3
123.04427	1.8
123.08052	6.0
123.11701	24.8
125.06013	2.4
125.09611	1.7
127.07492	1.2
128.98636	0.8
129.07033	4.3
131.08571	23.4
133.06511	2.3
133.10144	7.0
135.08060	5.9
135.11667	5.1
137.09595	4.1
137.13278	5.0
138.58850	0.7
141.07004	2.3
143.08575	1.7
145.10126	10.5
147.08032	2.0
147.11678	6.5
149.09584	4.4
149.13275	4.3
151.11261	1.2
155.08591	2.0
159.08017	1.2
159.11700	5.8
161.13237	2.0
163.07529	1.0
163.11209	1.8
163.14812	1.7
165.12808	1.7
167.10773	1.0
169.10155	2.5
171.11647	6.1
173.04593	0.7
173.09637	1.5
173.13261	7.7
177.12799	1.8
181.12099	0.8
187.11230	1.3
187.14819	10.1
189.12733	1.5
191.14359	2.1
195.13824	3.1
197.13258	6.8
205.15889	5.0
209.15382	3.5
213.46103	0.9
215.14320	8.9
223.16922	1.8
227.46506	0.7
229.19502	2.0
233.15366	29.1
235.80399	0.8
242.11189	0.8
247.17015	4.7
247.20523	3.9
265.18060	11.6
265.21652	53.0
283.12000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1549
Annotation	Val Phe
Peak:m/z	Relative Intensity
50.59422	0.2
53.03949	0.6
55.01869	0.2
55.05515	10.7
56.05028	0.7
56.96566	0.6
57.03424	0.3
57.05813	1.0
57.07079	0.3
67.05540	0.2
69.03430	0.7
69.07072	0.4
69.21735	1.4
69.22157	0.7
70.06587	0.5
71.05006	0.3
72.08160	100.0
79.05497	0.5
81.03390	0.2
81.07060	0.4
81.70362	0.2
83.04973	0.2
84.08142	0.5
85.02911	0.6
86.09724	0.4
91.05500	0.6
93.07068	0.5
95.04956	0.2
97.02921	0.5
97.06566	0.4
97.90950	0.2
98.97591	1.1
103.05468	0.4
104.32513	0.2
105.07078	0.5
107.04974	0.4
107.08604	0.5
109.06532	0.2
110.97646	0.4
111.04430	0.3
114.27258	0.2
116.98657	0.3
119.04945	0.4
119.08601	0.4
120.08114	11.7
121.06501	0.3
122.07159	2.5
131.04980	0.4
131.08597	0.2
133.06581	0.3
133.74706	0.2
136.06226	0.3
137.05991	0.6
139.03938	0.4
144.04793	0.6
145.10167	0.3
147.04465	0.8
149.06065	0.6
158.99686	0.3
159.07921	0.2
163.57321	0.2
166.08646	11.4
175.06288	0.2
175.07610	0.2
177.05479	0.3
189.09169	0.3
194.65533	0.2
201.09222	0.3
203.10849	0.3
205.08670	0.3
219.14995	0.9
225.96359	0.2
247.09731	0.3
248.13081	0.2
256.14420	0.4
265.12619	0.3
265.15442	6.8
266.16248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03944	5.6
55.01865	6.0
55.05513	11.6
65.03930	11.2
67.05504	27.6
69.03435	28.9
69.07056	6.1
69.64298	11.3
69.64712	6.5
71.04975	13.4
79.05501	17.5
81.03407	3.7
81.07043	13.6
83.04968	9.6
85.02859	3.1
91.05485	49.3
93.03374	5.1
93.07045	44.6
95.04968	47.7
95.08604	22.3
97.02895	7.5
97.06515	9.2
98.21503	5.0
98.97607	5.3
99.04449	8.1
103.05444	4.2
105.07030	71.6
107.04940	6.8
107.08606	15.9
109.06522	40.4
109.10162	12.6
111.04456	35.1
111.08070	9.2
113.06002	20.2
115.05400	6.3
116.06208	7.4
117.06992	17.7
119.08585	90.9
121.02851	13.1
121.06512	49.8
121.10104	15.3
122.07161	8.7
123.04472	4.3
123.08086	28.8
125.05984	3.3
128.06195	7.7
129.07022	18.8
130.07751	6.6
131.08578	39.2
132.05713	3.3
133.06473	13.8
133.10141	20.4
135.08058	95.3
137.05983	7.5
137.09654	15.0
139.03859	7.1
139.07544	10.8
141.06979	14.2
142.07756	12.0
143.08568	22.0
144.05754	3.9
144.09312	11.2
144.19110	2.9
145.06454	12.2
145.10146	31.1
146.07335	4.0
147.08060	37.7
147.11688	16.3
149.05975	4.7
149.09647	14.1
153.07013	5.1
154.07791	3.8
155.08519	12.2
156.09280	8.7
157.06453	4.5
157.10086	19.0
158.07317	21.7
158.10947	5.5
159.08084	32.9
159.11694	46.0
160.08783	4.2
161.06004	5.8
161.09621	40.7
161.13333	5.3
163.07492	4.8
165.09106	30.2
167.50102	2.9
168.09360	10.6
169.10129	5.8
171.08060	10.0
171.11682	11.4
172.08842	26.1
173.09665	30.3
173.13213	24.5
174.06667	3.6
175.07561	79.0
175.11180	38.7
177.05423	5.1
179.04666	3.6
181.06487	4.0
183.11665	12.7
185.09648	9.5
186.10349	9.6
187.07584	4.7
187.11208	46.6
189.09096	13.9
189.12706	18.2
193.08604	24.1
193.10143	4.8
196.08844	9.3
199.11176	17.5
201.12755	40.8
202.82767	3.0
203.10680	59.6
205.12231	10.1
207.10107	4.0
211.11201	24.1
217.12239	32.7
219.13840	14.4
229.12245	36.0
235.13333	10.6
244.07857	3.4
247.13275	66.1
265.14343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
53.22216	1.0
54.52152	0.8
54.71487	0.9
55.01861	1.8
55.05512	5.8
56.05036	1.2
56.26466	1.0
56.96567	7.5
57.03426	3.0
58.05456	0.9
59.04998	1.1
60.04528	1.5
60.08150	1.4
61.02917	2.2
63.02351	0.9
67.05496	4.1
69.03434	2.1
69.07062	4.9
69.44073	6.0
69.44479	2.2
70.06586	3.7
71.04996	14.0
72.08141	3.1
72.20602	1.0
73.02929	1.1
79.05486	3.9
81.03424	1.7
81.07039	3.0
83.04964	1.3
83.08603	1.3
84.08141	2.2
84.96046	1.7
85.02908	5.1
85.06554	6.1
86.09704	1.3
91.05501	8.2
93.07036	4.8
95.04966	2.5
95.08610	2.2
97.02887	2.3
97.06532	2.2
98.97588	58.2
99.04437	1.2
99.08086	3.9
102.09201	1.9
103.05467	3.0
105.07043	8.3
105.15974	0.9
107.04955	3.5
107.08586	4.1
109.06539	4.9
109.10159	2.1
110.97569	4.0
115.05454	4.1
116.07105	2.5
116.98634	18.7
117.06978	5.7
119.01898	1.0
119.04995	1.4
119.08601	3.6
120.08103	2.1
121.06518	2.2
121.08435	1.8
121.10175	4.8
123.04417	10.2
123.08070	5.8
123.11735	1.1
128.06250	8.7
128.98653	2.3
129.06978	5.4
130.06578	1.9
131.00169	0.9
131.04921	5.6
131.06911	1.1
131.08566	12.2
132.05692	1.4
133.06561	11.4
133.09106	1.8
133.10135	36.2
134.09621	1.9
134.99680	2.8
135.08040	2.3
136.06230	1.1
137.05969	2.7
140.00214	1.6
141.06993	13.5
143.00194	1.9
143.04916	1.9
143.08580	9.9
144.05750	1.8
144.09297	1.4
145.06497	12.2
145.10155	3.3
146.07210	1.9
146.99626	1.4
147.04405	9.2
147.08006	1.2
147.11702	2.1
148.04747	1.6
149.05997	6.9
149.13303	1.9
151.70145	1.0
152.30287	1.0
153.06999	3.4
154.07759	13.2
155.08578	1.7
157.06487	3.4
158.06036	1.1
158.07292	4.4
158.10896	1.6
158.99664	33.4
159.06427	1.6
159.08078	6.8
159.11705	2.8
160.05167	3.3
160.06364	1.6
161.01277	1.3
161.06004	4.6
161.09610	2.2
162.05554	1.2
162.09193	0.9
163.07536	2.8
167.07129	1.6
167.08572	3.0
168.05737	1.8
169.06467	5.1
169.10132	23.9
171.08035	11.1
172.08856	1.5
173.05997	34.6
173.09512	1.2
173.13278	7.8
174.06769	3.3
175.07378	2.0
176.07137	1.2
177.00706	16.9
177.05530	1.7
178.07660	1.3
179.08521	7.0
182.07262	6.0
184.07527	3.6
185.06024	2.6
186.06837	7.4
187.05869	1.5
187.07524	9.7
187.11179	11.5
189.09116	100.0
190.08589	1.2
191.14326	8.0
193.08070	3.8
196.07585	1.1
197.09642	23.0
200.02341	1.9
200.08334	2.8
201.00742	0.9
201.09164	2.3
202.08611	1.7
203.07080	1.3
203.09308	1.1
204.10202	3.1
205.08061	20.4
206.11734	2.8
210.14922	1.2
211.13205	1.6
214.08554	23.9
214.58774	1.4
215.10678	71.9
218.09526	1.4
219.01689	6.0
223.09113	13.8
223.59264	1.6
225.59306	1.4
229.12241	2.0
232.09731	6.7
232.13342	13.4
233.11739	33.9
234.59842	2.7
241.10057	1.1
243.60393	1.2
246.11314	2.0
247.13297	30.3
255.13646	1.4
264.12314	9.9
264.15961	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	264.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01880	3.3
57.03435	1.2
58.08237	0.6
67.05507	2.0
69.03424	0.7
69.07069	10.5
69.38628	3.5
77.03963	0.7
79.05495	11.8
81.07043	1.1
91.05482	12.8
95.04967	0.6
97.06532	100.0
98.06791	0.4
104.70674	0.5
107.04957	1.5
109.06533	0.8
111.40112	0.5
119.04935	10.6
123.04469	1.0
133.06506	1.8
135.04361	2.7
137.05977	67.1
147.04419	6.8
148.05168	0.7
149.05978	1.6
159.08049	0.6
160.86209	0.4
161.09624	1.8
163.07483	0.5
174.06805	0.6
177.09151	1.6
189.09111	11.7
203.10703	0.5
206.11821	0.8
215.10628	4.0
233.11731	56.1
235.13232	0.5
247.13310	10.4
264.15948	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
55.05505	1.2
56.96568	0.9
57.03431	2.9
57.07051	0.5
66.78957	0.5
67.02354	0.5
67.05519	1.0
69.03419	0.6
69.07047	1.5
70.06590	1.1
70.58370	0.5
71.25925	0.8
79.05484	1.5
81.03402	0.6
81.07050	1.1
83.04985	0.6
84.46558	0.4
85.02901	1.3
87.04469	0.5
91.05486	4.4
93.07040	2.3
95.04962	1.0
95.08630	0.5
97.02880	0.7
97.06516	1.2
98.97588	1.6
102.09163	1.7
103.05462	3.2
105.07027	3.1
107.04933	2.5
107.08601	1.0
109.02867	1.9
115.05447	1.1
116.07108	0.9
117.07030	5.4
119.04930	1.0
119.08530	0.7
121.06503	6.5
123.04440	4.9
124.07572	1.4
128.06236	4.3
129.06995	2.1
131.04907	1.2
131.08566	2.8
132.05716	0.5
132.77557	0.5
133.06493	13.6
133.10138	1.5
135.04433	0.5
135.08057	1.2
137.05946	1.5
138.05495	0.6
141.06992	1.8
143.04892	0.6
143.08569	6.6
145.06485	3.3
145.10248	0.7
146.07260	1.1
147.01134	0.4
147.04430	1.2
147.08078	1.1
149.05980	30.7
150.05507	0.5
153.06950	0.6
154.07805	2.7
155.04958	0.5
158.07263	1.4
159.08060	2.2
159.11684	0.9
160.05168	0.8
161.06003	2.7
161.09596	6.6
163.03908	1.5
163.07535	14.1
166.04980	1.7
167.05756	0.6
167.07053	8.3
169.10149	3.9
171.08026	3.7
172.08827	0.8
173.05989	2.7
174.06750	0.9
175.07564	0.6
177.09123	4.9
182.07205	0.7
186.06903	0.9
187.07544	1.3
187.11168	5.5
189.09108	71.4
190.08551	0.8
191.10692	0.7
197.09590	1.9
201.09097	0.9
203.10715	1.2
205.12259	7.9
206.11797	1.0
215.10672	11.0
223.13463	0.7
229.08537	0.7
232.09755	0.7
232.13274	2.2
233.11725	100.0
246.11272	1.6
247.09782	2.7
247.13281	1.5
264.12439	4.8
264.15958	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
55.01871	3.2
56.08690	0.5
57.03430	0.5
65.03947	0.4
66.00150	0.3
67.05499	2.3
69.03423	0.6
69.07067	10.9
70.12321	1.8
79.05494	12.9
81.07039	0.4
91.04902	0.7
91.05478	13.7
97.06532	100.0
98.21456	0.6
107.04953	0.6
109.06535	1.0
111.05497	0.4
115.97881	0.4
119.04950	9.6
133.06462	1.2
135.04413	2.0
137.05978	78.2
147.04401	5.4
148.05231	0.5
149.05978	1.4
161.06061	0.6
161.09645	0.5
163.07521	1.0
164.06914	0.5
173.05983	0.7
177.09129	1.1
187.07642	0.6
189.09088	10.2
189.10742	0.7
206.11804	0.6
215.10674	2.3
233.11723	88.6
247.13312	3.5
264.15948	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	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03942	2.0
53.59451	1.0
55.01860	2.1
55.05518	14.5
57.03418	1.4
57.07079	10.8
65.03918	2.8
67.05505	87.7
67.14439	0.9
69.03439	1.2
69.06732	1.5
69.07069	20.1
69.30313	7.6
71.04990	1.9
71.08639	8.7
79.05067	1.6
79.05497	21.1
81.07059	100.0
83.04969	2.1
83.08620	13.8
85.06557	4.6
85.10169	3.9
91.05483	17.4
93.06484	1.8
93.07048	27.2
95.04954	1.7
95.08609	89.7
97.06532	10.2
97.10155	5.8
98.97531	1.1
99.08105	4.7
104.99260	4.1
105.07034	14.3
107.04945	1.3
107.08605	18.5
109.06512	2.2
109.10156	44.2
111.08067	4.7
111.11687	2.3
113.09652	2.2
114.44958	1.0
117.06995	1.4
119.08567	12.8
121.09335	1.4
121.10151	20.4
123.08049	3.7
123.11705	22.8
125.09618	1.9
125.12135	1.0
127.11173	2.1
131.08586	1.9
133.10136	16.7
135.11696	12.1
137.09622	3.5
137.13242	9.6
141.12712	2.9
147.11674	9.9
149.13257	9.4
151.11176	1.8
151.14832	7.9
155.14291	2.9
161.13258	12.8
163.14830	8.9
165.16383	10.8
167.14415	1.0
169.19299	1.0
175.14786	7.9
177.16348	2.8
179.17955	4.1
181.15840	1.2
186.96811	1.7
189.05446	1.9
189.16438	4.9
203.17909	1.2
217.19536	3.0
245.22662	40.4
248.15515	1.2
263.14441	2.0
263.20444	4.0
263.23697	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03937	1.5
55.01874	1.4
55.05267	1.1
55.05512	18.8
57.03430	2.1
57.06833	0.8
57.07076	11.2
65.03931	2.1
67.05505	85.0
69.07072	19.2
71.04986	2.8
71.08631	6.7
75.36805	0.7
77.98330	0.9
79.05494	24.1
81.07057	100.0
83.04967	1.1
83.08613	13.4
83.14503	0.9
85.06530	4.5
85.10168	2.3
85.58074	0.8
91.05485	17.5
93.07047	29.3
95.04975	2.2
95.08607	87.9
97.06535	6.9
97.10169	7.6
99.08070	4.8
104.99276	22.2
105.07036	14.3
107.08593	15.0
109.06508	1.8
109.10159	43.2
111.08092	4.6
113.09629	3.2
117.07084	1.4
119.07779	1.5
119.08575	15.3
121.09323	1.5
121.10151	22.5
123.08051	3.0
123.11710	21.9
125.09617	2.2
127.11202	1.7
128.83202	0.8
131.08607	1.6
133.10141	15.3
133.39391	0.9
135.11693	11.1
137.09595	3.2
137.13252	8.2
140.83252	1.0
141.12746	2.8
147.11691	12.2
149.13261	8.4
151.11104	1.4
151.14848	8.5
155.14294	1.2
157.10020	1.1
159.11639	1.2
161.13255	12.2
163.14810	7.0
165.16402	9.8
173.13231	1.5
175.14813	11.2
177.16373	2.4
179.17958	3.7
181.15910	1.5
186.53790	0.9
189.16388	3.8
203.18011	1.7
207.17468	1.1
217.19487	1.5
244.76700	0.8
245.22655	38.5
248.12521	1.5
263.14493	7.8
263.20178	9.4
263.23700	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.85592	0.8
53.03930	2.2
55.01863	1.0
55.05264	1.4
55.05510	16.6
56.96563	6.2
57.03436	1.9
57.06820	1.3
57.07077	12.8
59.56365	0.7
65.03923	2.4
67.05508	88.9
69.03439	0.9
69.06721	1.4
69.07069	17.7
71.05016	1.4
71.08629	7.3
71.23782	0.8
71.95290	0.8
79.05494	27.1
81.07060	100.0
83.04952	2.0
83.08628	15.4
85.06532	4.9
85.10184	3.0
88.39214	0.7
91.05489	19.1
93.07047	32.7
95.04948	2.6
95.08612	89.7
97.06534	9.4
97.10170	8.0
98.62279	0.8
99.08091	6.3
104.99267	1.7
105.06371	1.5
105.07031	13.7
107.08602	21.6
109.06521	1.8
109.10162	44.5
111.08068	3.2
111.11753	1.7
113.09648	3.6
119.08589	15.1
121.10146	22.7
123.08051	2.5
123.11713	17.9
127.11162	2.1
131.08577	1.2
133.10146	17.6
135.11687	14.7
137.09636	2.6
137.13251	7.7
139.11180	1.1
141.12727	1.1
143.08556	0.9
145.10110	1.5
147.11697	10.3
148.40424	0.8
149.13257	10.8
151.11162	1.5
151.14803	10.5
155.14301	2.2
160.98625	1.0
161.13292	11.8
163.14807	8.1
165.16406	11.8
167.14290	1.4
171.11685	1.0
175.14809	7.5
177.16391	1.7
179.17972	5.8
181.05350	1.0
181.15897	1.5
189.16365	5.4
199.06425	16.3
203.17995	1.4
217.07521	12.9
217.19597	1.4
222.08127	2.0
233.13312	1.1
240.09247	1.7
245.22659	41.4
248.15518	1.0
263.20309	5.9
263.23712	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2007
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
53.03931	3.6
54.21861	0.9
54.40881	1.1
55.01854	2.6
55.05510	12.2
56.96567	6.8
57.07078	2.2
57.58862	1.0
59.04979	1.2
65.03941	1.4
67.05507	35.6
67.05873	1.9
69.03449	1.2
69.07073	16.2
71.04998	1.6
73.06560	1.3
79.05493	62.7
81.07060	37.2
82.38036	1.1
83.04948	1.1
83.08621	7.5
84.96049	1.2
85.06543	5.0
91.05475	31.8
93.07045	79.1
95.04961	4.4
95.08608	25.0
97.06516	5.0
97.10150	2.0
98.97570	1.2
99.08070	4.1
104.99265	15.0
105.07035	18.5
107.04929	1.2
107.08594	47.2
109.06519	3.2
109.10151	9.0
111.08075	2.1
115.07542	2.1
117.07015	6.4
119.08588	21.3
119.23179	0.9
121.06437	1.3
121.10144	98.6
123.08051	3.6
123.11681	2.3
125.09646	1.5
129.06993	3.3
131.08556	13.4
133.10136	19.7
135.08025	3.4
135.11685	35.9
137.09596	3.0
142.01288	1.0
143.08553	3.6
145.10115	11.6
147.08043	1.5
147.11684	14.6
149.09621	5.9
149.13271	6.7
151.11179	2.4
157.10124	6.2
158.99629	1.4
159.11673	1.7
161.09636	1.6
161.13278	2.4
163.11185	2.3
171.11716	6.6
173.13251	1.7
175.11246	2.4
182.09442	1.2
185.13217	2.0
187.14751	1.6
189.05447	1.3
189.12726	1.6
189.16350	7.5
203.14319	2.8
203.17989	3.9
213.16405	16.4
231.17442	17.1
245.22635	1.7
252.22044	1.0
263.09494	2.2
263.20071	100.0
263.23462	3.4
281.10727	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	263.2007
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
51.02381	0.9
53.03929	3.5
55.01884	1.9
55.05267	1.3
55.05511	19.2
56.96559	2.4
57.03429	1.4
57.07068	1.6
59.05010	0.9
65.03941	1.7
67.05507	28.6
69.03413	0.9
69.07074	13.8
71.00729	1.0
71.01044	1.2
71.04990	2.1
73.06555	1.0
73.49220	0.8
77.03922	1.1
79.05495	81.7
79.96705	0.9
80.87790	0.8
81.03422	1.3
81.07056	33.7
83.04961	2.4
83.08624	7.0
85.06522	1.6
85.84050	0.8
91.04903	1.0
91.05481	26.4
93.07043	100.0
95.04967	5.1
95.08608	25.2
97.06530	1.7
97.10160	4.6
98.97588	1.5
99.08070	1.5
104.99278	15.8
105.04512	1.7
105.06395	1.4
105.07037	19.5
107.04945	1.5
107.08597	72.3
109.06500	3.8
109.10162	11.1
111.08073	2.4
117.07012	3.5
119.06042	0.8
119.08585	15.8
121.06492	1.1
121.10146	66.1
123.08052	2.7
123.11687	3.0
125.09608	2.2
125.25799	0.8
127.07592	1.4
129.06999	2.3
131.00160	1.5
131.07732	0.9
131.08549	4.8
133.10124	11.9
135.08037	1.1
135.11693	35.3
137.09637	1.1
143.08571	2.3
145.10100	4.2
147.11685	8.1
149.09592	2.8
149.13264	12.6
151.11113	1.3
157.10164	1.9
157.12329	0.8
159.11690	3.5
161.09627	1.3
161.13272	3.6
163.11176	2.5
163.14806	1.7
171.11737	4.3
175.11308	0.9
175.14833	1.5
181.12241	2.2
182.05705	0.8
185.13278	2.1
189.05421	1.0
189.12721	1.5
193.12270	1.4
195.13805	1.4
199.06389	1.8
199.14841	2.9
200.15271	0.8
203.14397	1.0
207.13792	2.1
217.07549	1.4
217.15935	1.0
217.19513	0.9
221.15384	2.5
227.17949	2.5
245.18991	5.1
263.12418	3.7
263.16840	2.4
263.20074	81.2
281.10547	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2007
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
50.89998	0.6
53.03940	2.5
53.54162	0.6
55.01873	3.8
55.05511	19.7
56.96563	2.2
57.03445	3.0
57.07066	2.2
59.04996	1.5
65.03932	1.8
67.05506	44.6
69.03426	7.1
69.07068	16.8
70.51620	2.0
71.04984	4.0
71.66674	0.6
79.05493	31.3
81.03413	4.3
81.07056	29.9
83.04989	4.8
83.08620	8.3
85.06532	2.2
91.05479	20.1
93.07043	44.6
95.04969	7.5
95.08608	36.4
95.18946	0.5
96.53735	0.7
97.02901	4.7
97.06525	3.6
97.10170	8.3
99.08104	1.3
104.99275	6.2
105.04516	1.0
105.07036	15.8
107.04941	1.7
107.08595	27.4
109.06525	4.6
109.10156	27.5
111.04453	0.9
111.08084	3.2
116.42326	0.5
117.07020	4.0
119.08582	14.4
121.06527	4.6
121.10145	23.9
123.08076	7.5
123.11709	3.9
125.09628	5.1
129.07008	2.3
131.08582	5.1
133.06487	1.7
133.10132	12.4
135.08057	2.9
135.11690	14.6
137.09621	11.8
139.11108	1.4
143.08559	1.9
145.10143	4.3
147.08028	1.9
147.11700	9.0
149.09613	2.9
149.13239	5.8
151.11157	2.2
153.12706	0.9
155.10663	1.8
157.10110	3.6
159.11681	3.3
161.09697	1.4
161.13287	4.8
162.06148	0.9
163.11188	2.5
163.14848	0.8
165.09116	2.3
165.12753	1.2
167.10683	0.8
169.12238	0.9
171.11694	2.8
173.11736	5.3
173.13182	1.4
174.07947	0.7
175.11217	1.8
175.14854	1.3
177.12827	0.9
179.10619	0.9
179.14258	0.7
181.12190	1.7
183.08543	1.3
185.13179	3.7
187.13289	1.0
187.14828	1.5
189.12753	1.7
190.09357	2.0
193.12234	1.8
195.13815	5.7
199.09892	4.1
199.14810	0.9
201.60161	1.0
203.14348	1.5
203.17966	1.7
207.13812	2.3
210.60686	0.8
217.07428	0.7
217.15942	0.8
217.19597	3.6
221.15401	1.9
227.17932	4.5
245.18996	11.7
259.08206	0.7
263.20065	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2007
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
53.03950	4.2
55.01859	3.1
55.05513	11.9
56.96563	5.0
57.07066	1.7
63.41682	0.8
65.03926	1.1
67.05507	34.3
69.03410	1.4
69.07070	17.3
71.04990	1.1
71.56346	1.0
73.06539	1.9
73.61353	0.8
73.80430	0.9
77.03876	0.9
79.05495	63.1
81.03422	1.3
81.06589	1.5
81.07060	29.0
83.04983	1.8
83.08614	7.3
83.62251	0.9
85.06527	3.5
91.05484	32.5
93.07045	79.8
95.04965	3.9
95.08607	22.4
95.30667	0.8
97.06528	6.0
97.10157	3.2
98.97578	1.1
99.08090	2.4
104.99272	7.6
105.04527	1.0
105.06388	1.5
105.07031	18.2
107.04935	1.0
107.08599	44.5
107.34265	0.8
109.06516	3.2
109.10168	9.7
111.08086	2.0
113.09676	0.9
114.41071	1.0
117.07014	7.1
119.08582	19.9
119.42712	0.9
121.10149	100.0
123.08059	3.6
123.11724	2.3
125.09615	1.4
126.63235	0.9
128.06198	0.9
129.07005	2.9
131.08574	11.9
133.10139	20.6
135.08044	3.7
135.11694	32.5
137.09599	2.7
143.08542	3.7
145.10123	9.7
147.11684	14.2
149.09618	5.2
149.13272	4.2
151.11201	1.5
157.10121	4.4
159.11702	2.5
161.13278	3.0
165.12682	1.2
171.11748	6.4
175.11171	2.5
177.00804	0.9
181.12236	1.8
185.13266	2.7
187.14896	2.1
189.12741	2.0
189.16409	5.6
191.10056	1.0
203.14293	1.9
203.17937	3.3
213.16399	15.4
222.42426	0.9
231.17448	15.6
245.19040	1.1
263.09494	1.9
263.20074	95.6
281.10608	4.3
281.14020	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2006
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03953	4.1
54.77512	0.7
55.01860	3.1
55.05510	21.5
56.96550	3.7
57.03426	2.8
57.07064	2.0
59.04987	1.7
65.03935	1.2
66.29596	0.8
67.00473	0.7
67.05506	45.5
68.17540	0.7
69.03448	4.5
69.06725	1.1
69.07070	16.2
71.04998	4.1
71.56447	1.0
71.95237	1.2
73.70496	0.8
79.05496	39.2
81.03428	3.8
81.06582	1.6
81.07059	31.2
83.04977	5.0
83.08616	8.8
85.06537	2.3
91.05480	21.4
93.07046	54.2
95.04996	6.4
95.08608	36.2
95.09108	0.5
95.09234	0.8
97.02879	2.8
97.06516	3.1
97.10172	7.0
99.04412	0.8
99.08072	1.0
104.99267	7.5
105.04486	1.5
105.06401	1.0
105.07043	15.3
107.04951	1.9
107.08599	33.6
109.06523	6.0
109.10164	26.9
111.08055	2.5
115.05492	0.8
116.52006	0.8
117.07014	4.2
119.08592	13.8
119.27200	0.9
121.06509	2.5
121.10146	31.1
121.11037	1.7
123.08060	6.7
123.11674	4.0
125.09637	4.4
129.06989	2.6
131.08597	5.2
133.10132	13.3
135.08026	3.3
135.11700	20.5
137.09619	9.6
139.11140	1.3
143.08568	2.7
145.10143	4.4
147.08047	2.0
147.11682	9.7
149.09601	3.6
149.13240	7.7
151.11165	2.0
153.03993	0.9
153.12730	0.8
155.10626	1.4
157.10146	3.5
159.11693	4.2
161.13252	6.1
163.11172	2.1
163.14813	1.5
165.09129	1.9
165.12643	1.2
167.19725	0.8
169.12251	0.8
171.10349	0.9
171.11624	3.9
173.11755	5.5
173.13095	1.5
175.11140	1.7
175.14790	1.0
177.12831	1.4
181.12259	1.6
185.13240	3.7
187.13286	1.3
187.14822	1.4
189.05489	1.0
189.12686	2.0
193.12231	1.0
195.13826	5.2
199.06369	5.9
201.16386	1.0
203.14345	2.0
203.17953	1.1
207.13817	2.0
207.96286	0.9
217.07393	5.2
217.15808	1.1
217.19540	3.1
221.15396	1.9
222.08008	1.5
227.17964	3.6
245.19032	11.8
258.94083	0.9
260.31918	0.8
263.11377	3.4
263.16766	4.2
263.20068	100.0
281.12527	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	263.2005
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
50.68414	1.0
53.03928	2.9
55.01873	43.6
55.05510	16.8
56.96548	4.1
57.03413	1.7
57.07057	2.7
60.23013	0.9
65.03925	1.5
67.05505	35.6
69.03444	2.1
69.07067	32.4
71.04988	2.7
71.08614	1.0
71.36855	1.8
75.09995	1.0
79.05495	47.3
81.03411	3.0
81.06588	1.9
81.07057	38.8
83.04961	6.2
83.08611	9.3
85.06538	4.0
91.05481	31.7
93.07043	51.9
95.04971	7.2
95.08608	27.9
97.06532	54.9
97.10168	3.3
99.08086	1.5
101.86393	1.0
104.99266	8.3
105.07032	19.7
107.04925	1.6
107.08598	37.2
109.06499	4.0
109.10159	11.3
111.08081	2.8
114.25273	0.9
117.07015	3.7
119.08578	20.1
121.06567	1.3
121.10141	35.0
123.04371	1.2
123.08067	4.9
123.11713	4.9
125.09631	5.0
129.06995	3.3
131.08588	5.8
133.10141	28.7
135.08022	1.8
135.11699	21.4
137.09604	4.8
137.13182	1.8
143.08580	2.5
145.10106	7.1
147.08096	1.6
147.11702	17.8
149.09613	5.5
149.13254	8.9
151.11197	9.1
157.10150	4.4
159.11653	3.6
161.09583	1.4
161.13255	4.4
163.11217	1.6
165.12711	2.6
167.10727	1.3
171.11705	6.0
173.13237	1.1
175.11177	3.5
175.14786	1.3
185.13243	3.4
187.14856	2.2
189.05502	1.8
189.12726	2.0
189.16344	4.8
193.12244	2.4
199.06424	6.3
203.14345	1.5
203.17949	1.8
207.13765	2.0
213.16417	6.7
217.07509	4.8
217.19484	3.2
221.15421	1.4
227.17957	2.8
231.17485	7.1
235.20506	4.9
245.18977	3.9
263.20071	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1643
Annotation	(Z)-5-(2,6-Dimethyl-5,7-octadienyl)-3-furancarboxylic acid methyl ester
Peak:m/z	Relative Intensity
53.03938	4.1
55.01876	1.8
55.05509	7.9
56.96555	2.7
62.17758	0.7
65.03937	0.8
67.05511	16.6
68.05828	1.2
69.03433	2.9
69.07066	5.4
71.04997	1.3
71.55896	0.9
71.56290	1.5
73.06547	0.9
77.03943	0.9
78.52337	0.7
79.05493	24.4
79.38345	0.8
81.03407	2.2
81.07059	13.7
83.04963	1.5
83.08621	3.8
85.06538	2.7
91.05481	13.7
93.07049	16.5
95.04961	6.9
95.08613	19.8
97.06514	1.3
97.10142	1.3
99.08128	1.0
103.05479	1.2
104.99276	26.0
105.04507	1.2
105.07036	9.6
107.04956	100.0
107.08604	10.4
109.06494	2.0
109.10158	7.7
111.08106	1.7
115.05450	0.9
117.07031	3.4
119.04930	1.6
119.08587	8.5
121.06525	5.9
121.10140	7.7
123.08057	1.1
123.11690	1.7
129.07004	3.7
131.04939	1.7
131.08559	3.6
133.06502	6.1
133.10115	4.8
135.08069	1.2
135.11674	3.8
137.06035	0.8
137.09598	3.9
143.08565	2.2
145.06473	1.6
145.10110	1.6
147.08060	5.0
147.11696	3.9
149.09616	2.8
149.13246	1.5
151.11034	0.8
157.06520	1.8
157.10132	2.2
161.09598	1.7
161.13252	2.6
169.10161	1.0
171.08127	0.8
171.11722	2.3
175.11186	1.0
175.14870	2.0
185.13274	3.0
189.05405	1.0
189.16399	1.6
195.11691	0.9
199.06500	4.0
202.22598	0.8
203.14334	2.3
213.12746	1.6
217.07413	5.1
231.13913	1.8
231.17436	1.2
242.10001	1.0
245.15344	1.1
245.22495	1.2
263.16452	15.5
263.20026	8.2
263.23624	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	263.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53878	0.5
55.01857	1.3
55.05502	1.2
56.96576	2.8
57.03440	11.9
57.07090	0.6
58.99590	5.1
65.03940	1.8
67.05489	0.8
68.05033	0.5
69.03433	1.4
69.04542	0.8
69.07065	0.8
71.04978	1.0
71.12661	0.6
71.12986	0.7
76.02235	25.5
76.04002	1.0
76.41573	0.5
79.05483	1.2
81.03413	0.7
83.04990	0.9
84.04488	1.3
84.08142	6.0
84.96054	0.9
85.02898	1.6
85.06551	19.5
86.99050	1.7
87.02707	0.7
88.02240	1.3
89.00640	0.8
89.04266	0.8
91.05473	1.3
92.00790	0.5
95.08616	0.7
97.01093	0.7
97.02908	1.7
98.97576	4.8
99.02705	4.6
103.05487	0.7
105.07045	0.7
107.04963	0.8
110.97553	1.0
112.03956	0.8
116.01675	8.4
116.05360	0.5
116.98622	1.5
117.03725	100.0
119.01945	2.6
125.04225	2.8
130.05003	7.2
131.01910	0.7
131.08594	0.6
131.17073	0.6
134.99640	1.0
137.05983	1.3
142.06824	4.5
143.01877	2.8
143.05212	1.0
144.01151	4.2
145.06046	0.6
147.04489	0.7
150.07756	0.7
158.99713	1.3
160.07927	3.6
161.02979	4.4
161.06009	0.7
161.09596	0.6
162.02211	19.9
162.04230	1.0
166.31276	0.6
173.02957	1.1
175.40340	0.6
177.00642	1.0
179.04874	14.2
185.03017	0.7
189.05499	2.8
191.03922	0.9
199.57982	0.6
203.04059	1.4
204.10228	7.0
219.01768	0.6
228.06976	1.2
232.07874	1.4
237.70680	0.6
239.06186	0.5
245.09586	44.6
246.07993	1.9
256.32379	0.6
263.06177	2.4
263.09747	12.0
263.13904	6.4
283.11823	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99858	0.6
70.99859	1.3
71.31555	0.5
77.00928	1.2
81.03410	0.5
82.99831	2.7
85.16532	0.2
89.00902	1.7
89.71031	0.3
97.01377	0.7
98.97586	0.8
101.00883	16.6
102.00949	1.1
102.96906	0.5
103.00635	0.6
103.01301	0.3
107.01939	0.5
109.02856	0.4
113.00871	1.0
115.02432	1.0
117.00352	0.4
119.01924	14.4
120.02027	1.0
121.01633	0.6
124.02412	0.3
127.02435	2.1
129.00266	0.3
131.01917	1.5
133.03476	0.4
135.01376	0.7
137.02951	0.8
139.02409	4.2
141.00333	0.7
142.03494	1.8
143.01900	14.4
144.03224	0.7
145.03474	4.5
147.01361	0.4
150.00797	0.2
152.36516	0.3
155.01849	0.7
157.03474	10.8
159.01382	1.8
161.02962	19.6
163.04498	0.3
167.01938	1.6
169.03444	0.6
173.02943	1.3
175.04558	1.5
179.00743	0.4
179.04099	0.3
184.04599	0.3
185.02972	5.3
187.04553	0.8
191.04004	0.6
203.04015	11.4
216.93623	1.8
217.01924	0.2
221.01759	0.8
221.05077	8.7
221.97557	0.4
229.97064	0.3
233.05028	0.3
234.94710	0.8
238.98360	1.2
239.06131	5.5
239.95232	1.7
239.98468	9.2
240.97987	0.4
245.01782	0.8
245.05067	0.8
257.96289	0.5
263.00095	1.9
263.03036	4.9
263.06119	100.0
264.06360	0.7
281.07184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.5
68.24525	0.8
70.33327	3.0
70.99838	1.2
72.13032	0.8
73.02852	0.7
77.00910	0.9
82.99825	7.3
85.02880	1.0
89.00890	1.2
94.99871	1.0
96.25880	0.8
97.01337	0.9
97.02891	0.8
98.97574	2.8
101.00881	41.7
108.30325	0.8
109.02891	0.9
112.07915	0.7
113.00867	12.4
115.02442	2.3
116.98660	1.3
117.55695	0.8
119.01052	1.6
119.01917	33.2
127.02351	1.9
131.01907	17.1
133.03441	3.5
135.42422	0.8
137.02922	2.1
139.02419	3.7
143.01900	71.7
145.03433	5.0
145.28435	0.7
149.02882	1.0
155.01900	14.9
157.03470	8.3
159.01413	1.5
161.02957	100.0
162.71005	0.7
167.01909	3.2
173.02966	33.2
175.04524	1.6
176.17853	0.9
179.03966	1.6
184.04530	1.4
185.02960	10.2
187.04584	1.0
191.04007	21.0
203.04002	36.9
215.03928	1.0
221.03128	1.2
221.05055	10.5
233.05046	1.9
237.97931	0.7
239.03917	1.1
239.06038	5.9
245.05156	2.2
248.66805	0.9
263.01578	3.4
263.06131	93.2
264.06207	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14655	1.5
56.21252	1.5
56.96565	6.0
61.02932	1.9
65.19147	1.7
66.82484	1.5
69.97654	7.4
70.98099	1.9
73.02894	1.6
75.70241	1.3
82.11973	1.6
82.99844	6.7
85.02911	4.0
97.02924	2.1
98.21441	1.8
98.97599	14.3
101.00890	43.4
110.97533	1.9
113.00871	7.5
115.02421	4.2
116.98629	4.3
117.48932	1.6
119.01925	31.9
131.01913	13.8
133.03468	10.2
137.03015	2.9
139.02441	3.8
143.01909	70.8
145.03473	6.5
155.01898	12.5
157.03459	8.9
159.01448	2.1
160.55678	1.6
161.02969	96.0
167.01904	2.5
170.96143	2.0
173.01608	2.4
173.02986	31.9
175.10147	1.7
177.00777	1.9
184.04532	2.1
185.02977	8.8
188.97137	2.2
191.03996	21.9
197.02983	3.4
200.04431	1.8
202.98889	2.0
203.02277	3.4
203.04016	34.9
221.05103	11.8
230.98204	2.2
239.06146	6.6
252.90164	1.7
263.02048	13.4
263.06155	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	1.1
60.20443	0.9
62.14468	1.0
63.58549	1.1
69.97840	4.6
70.99854	1.5
72.16209	0.9
77.00898	1.5
82.99850	4.8
89.00900	1.7
91.93816	0.9
98.97588	3.4
101.00882	41.7
108.15857	0.9
113.00872	11.6
115.02410	2.0
119.01913	32.4
127.02415	1.9
131.01910	16.2
133.03462	4.7
137.02943	1.9
139.02446	3.5
143.01900	81.7
145.03484	4.2
155.01903	16.7
157.03444	8.7
158.99644	1.2
159.01349	1.8
161.02957	100.0
167.01884	3.1
173.02954	37.1
177.37152	1.0
184.04572	1.8
185.02971	9.1
187.04546	1.0
191.04002	21.2
203.04016	36.0
211.16043	1.0
215.88974	0.8
221.05072	10.4
233.05089	3.5
239.06071	4.4
245.05122	2.1
263.01587	5.6
263.06131	86.7
281.07324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1801
Annotation	Lycoposerramine K
Peak:m/z	Relative Intensity
50.33922	0.4
51.21268	0.5
51.69186	0.4
55.05508	2.4
56.96566	3.0
65.03937	0.6
65.75214	0.4
67.05495	2.2
69.07067	1.3
70.06587	0.4
71.55932	0.5
71.56407	0.6
79.05500	1.7
79.87318	0.5
81.07070	1.7
84.93816	0.4
85.06525	0.5
91.05481	5.0
92.05004	11.6
93.05804	2.0
93.07072	1.6
94.06581	1.8
95.08611	0.7
97.10191	0.8
105.07053	1.1
106.06560	4.5
106.07314	0.8
108.08935	0.6
109.10207	0.5
117.05754	4.1
117.07022	0.6
118.06543	45.5
119.07325	4.8
119.08623	1.1
120.04475	0.6
120.08142	2.7
120.08910	0.8
120.20454	0.4
130.06511	3.2
131.07329	1.1
132.08092	4.8
133.08949	0.5
133.10049	0.8
134.09633	1.0
144.08110	0.5
146.09602	1.5
160.11186	1.1
175.02786	0.7
193.03773	0.8
201.09769	1.0
202.15913	11.1
212.13437	0.4
215.96291	0.6
230.15402	95.6
231.15656	0.6
239.09517	2.0
239.11510	1.0
257.10336	1.1
262.18027	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1803
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
55.05503	0.3
56.96562	0.6
57.07050	0.4
67.05481	0.3
70.06599	0.8
71.56596	0.4
76.96243	0.3
81.07053	0.7
87.04470	23.8
88.07603	0.5
91.05496	0.4
93.07069	0.4
97.06509	0.7
98.97599	1.5
107.08614	0.6
109.06609	0.5
109.10124	0.4
111.08086	0.6
116.98595	0.3
118.06548	8.9
118.07365	0.6
119.08601	0.4
123.08052	0.3
132.08098	2.4
132.10210	1.0
133.08882	1.2
133.10150	0.8
134.09602	0.6
135.11685	0.5
146.09677	2.7
150.11272	0.9
158.99715	0.3
169.08537	0.4
176.14351	63.7
177.14615	0.4
204.10193	0.5
215.93167	0.3
218.21326	0.4
231.08809	0.4
232.13647	0.3
239.59254	0.4
262.18021	100.0
262.23709	5.0
272.89291	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1802
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
53.19632	0.4
56.96562	0.5
57.07067	0.8
64.21894	0.3
64.42848	0.4
67.05495	0.5
69.03427	1.0
70.06580	2.8
70.90379	0.6
70.90716	0.8
71.08611	0.5
74.45581	0.4
85.02901	0.9
87.04465	27.7
88.07619	3.2
91.05488	0.4
97.02887	1.6
97.06466	0.4
98.97604	0.7
101.00826	0.4
101.38853	0.3
105.07048	0.4
106.08672	0.5
108.11764	0.3
114.09159	1.1
116.98663	0.4
118.06530	9.4
118.08643	0.7
126.50845	0.3
132.08069	2.7
132.10201	5.1
133.08864	1.6
134.09624	0.6
146.09648	3.3
150.11259	3.6
158.44408	0.5
176.14337	66.7
180.02150	0.3
200.20099	0.5
218.11845	0.7
218.21187	1.1
262.18008	100.0
262.23743	22.3
263.18518	0.4
264.13275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1439
Annotation	Ruprechstyril
Peak:m/z	Relative Intensity
51.34041	0.2
56.96576	0.2
60.32772	0.1
67.05477	0.3
69.07075	0.3
69.25909	1.1
69.26332	0.5
79.05478	0.2
81.03411	0.2
85.02900	0.2
87.04456	0.3
91.05491	0.2
94.06577	1.5
97.02857	0.3
97.06552	0.3
98.97588	0.4
103.77604	0.2
105.07011	0.2
112.99131	0.2
119.01788	0.2
122.06033	20.5
126.05894	0.2
126.73802	0.2
126.98196	0.2
131.00156	0.2
133.86584	0.2
137.05965	0.9
146.67967	0.2
148.07568	0.3
150.05508	100.0
151.05792	0.2
161.76347	0.2
162.56071	0.2
165.07872	0.5
176.14384	0.5
177.00726	0.2
196.27412	0.2
230.11736	0.3
241.07213	0.2
252.59570	0.2
262.14389	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	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02354	0.8
53.03938	2.4
55.01863	0.9
55.05263	0.8
55.05511	9.6
57.03431	1.2
57.07076	4.6
65.03933	0.9
67.05505	29.3
69.06721	0.8
69.07069	10.1
69.44577	0.9
69.44982	2.8
70.74727	0.5
71.04986	0.9
71.08635	2.5
77.03860	0.7
79.05495	35.2
81.07059	32.5
81.18692	0.4
83.04971	1.7
83.08628	5.3
85.06554	3.9
85.10165	1.6
91.04909	0.8
91.05482	22.4
93.07046	49.9
95.04992	2.4
95.08609	26.0
97.06532	6.4
97.10139	1.8
99.08079	3.3
103.05503	0.5
105.04510	0.9
105.07030	16.7
107.04974	0.6
107.08597	30.5
109.06496	2.5
109.09460	1.0
109.10158	11.0
111.08086	2.3
113.09644	1.6
116.06230	0.5
117.07028	8.9
119.08578	13.0
121.10146	24.4
121.97037	0.5
123.08054	2.0
123.11708	3.1
125.09611	0.6
129.07010	0.9
131.08574	21.0
133.10130	12.9
135.08032	1.7
135.11696	17.9
137.09581	2.1
137.13246	2.0
139.11246	0.5
145.10126	17.0
147.11690	10.7
149.02347	0.5
149.08502	0.5
149.09616	2.4
149.13271	12.4
151.11180	0.9
151.14804	0.9
153.12726	1.2
157.10074	0.7
159.11691	11.9
161.13266	13.0
163.11198	1.8
163.14830	12.5
165.12701	1.4
165.16359	0.5
173.11765	0.9
173.13264	13.5
175.14821	4.1
177.12750	1.2
177.16377	5.5
179.14276	1.4
187.14825	8.5
189.16333	1.4
191.14328	0.5
201.16408	3.6
203.17903	1.4
205.15846	1.2
215.17892	1.5
217.19501	3.4
231.39531	0.5
233.22606	1.7
243.21088	52.5
261.13080	3.3
261.22134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03951	2.1
55.05509	12.0
56.76688	1.8
57.07076	5.8
65.03940	2.3
65.59224	2.0
67.05502	30.3
68.65372	2.1
69.07059	11.4
71.05004	3.7
71.08637	2.3
75.35441	2.0
79.05492	35.5
81.07065	38.2
82.05334	1.9
83.04981	3.1
83.08617	5.8
85.06538	3.8
91.05486	23.8
93.07047	44.4
95.04972	2.3
95.08602	29.3
97.06522	6.8
97.10178	4.2
98.20728	4.8
99.08095	4.8
105.07050	17.6
107.08607	30.6
109.06507	3.6
109.10161	11.7
111.08054	4.1
114.92057	2.2
117.07024	8.3
119.08595	16.9
121.10143	34.8
123.08059	4.2
123.11709	5.9
124.54134	2.0
126.61523	1.9
130.07767	2.2
131.08563	23.4
133.10138	17.8
135.11703	25.0
145.10135	22.2
147.11690	15.7
148.58261	1.9
149.02309	2.1
149.09633	2.6
149.13264	12.2
159.11694	15.7
161.08269	3.5
161.13246	12.5
163.14842	15.4
168.08607	1.9
173.13280	17.5
175.14847	6.6
177.16373	7.4
187.14848	9.9
189.16289	2.5
201.16382	7.5
215.17902	2.7
217.19470	3.3
243.21075	58.2
261.07678	2.2
261.12869	10.3
261.22144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02374	0.4
53.03940	1.6
55.01882	0.6
55.05513	10.0
57.03435	1.0
57.06871	0.2
57.07080	2.7
59.05008	0.3
65.03944	1.2
65.35980	0.3
67.05507	29.2
69.07069	8.8
69.86103	1.3
71.05012	1.2
71.08637	1.0
75.51192	0.3
77.03919	0.6
79.05495	39.3
81.07059	34.5
83.04974	0.6
83.08617	4.9
85.06542	2.6
85.10187	0.4
91.04897	0.6
91.05482	18.7
93.07046	52.0
95.04969	2.6
95.08607	25.7
95.74952	0.3
97.06533	2.2
97.10159	1.6
98.21460	0.5
99.08092	2.7
105.04526	0.9
105.06305	0.4
105.07033	13.7
107.08598	34.1
108.02735	0.3
108.18422	0.3
109.06524	1.0
109.10159	10.8
111.08092	3.0
111.11728	0.6
113.09639	0.9
114.74059	0.3
117.07017	4.7
119.06084	0.6
119.07928	0.3
119.08583	10.4
121.10145	31.6
123.08060	1.0
123.11701	3.3
125.09642	0.8
129.07008	0.4
130.07773	0.3
131.08575	10.6
133.10135	9.8
135.08070	0.7
135.11696	24.5
137.09653	1.1
137.13264	1.1
139.11165	0.6
143.08510	0.4
145.10132	10.8
147.11693	8.9
149.09625	0.8
149.13263	21.1
151.11180	0.6
151.14842	0.7
153.12794	0.7
157.10060	0.3
159.11702	7.4
159.13031	0.4
161.13263	9.4
163.11172	0.6
163.14822	16.8
165.12788	1.3
165.16449	0.3
173.13266	8.4
175.14835	3.2
177.12753	0.5
177.16391	5.7
179.14325	1.3
187.14821	5.2
189.16376	0.9
201.16379	2.4
205.15921	0.6
215.17958	1.5
217.19557	0.6
219.17393	0.6
233.02780	0.3
233.22635	1.1
243.21086	26.6
261.22141	100.0
262.22443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.01868	0.5
55.05265	0.7
55.05510	9.5
57.03433	1.2
57.07072	3.2
65.03936	1.0
67.05505	29.5
69.07066	8.6
71.04990	1.4
71.08617	1.2
77.03902	0.7
79.05492	38.4
81.07055	33.8
82.65781	0.3
83.04989	0.9
83.08614	5.3
85.06541	2.9
91.05480	19.0
93.07043	51.9
95.04961	2.2
95.08607	26.0
97.06525	2.6
97.10159	2.0
99.08074	2.6
105.04543	0.9
105.07027	13.5
107.08592	34.8
109.06530	1.0
109.10156	11.7
109.69427	0.4
111.08115	2.4
113.09633	1.0
117.07021	4.5
119.06151	0.4
119.08585	10.4
121.10144	31.2
123.08076	1.1
123.11716	3.7
125.09608	1.1
129.07091	0.4
131.08568	11.0
133.10130	10.8
135.08078	0.5
135.11690	26.2
137.09641	1.5
137.13261	1.3
139.11209	0.6
145.10121	12.3
147.11684	9.6
149.09618	0.5
149.13258	21.4
151.11154	1.3
151.14786	0.6
153.12743	0.6
159.11700	7.8
161.13249	8.4
163.11208	0.5
163.14827	16.5
165.12820	0.9
173.13260	8.1
175.14819	4.0
177.12782	0.5
177.16383	4.2
179.14320	1.5
187.14833	5.7
189.16399	0.8
201.16399	2.5
203.17961	0.7
205.15871	0.6
209.38622	0.4
215.17943	1.1
217.19458	0.8
219.17480	1.0
233.22624	0.9
243.21085	27.0
245.62192	0.4
261.22134	100.0
271.25085	0.4
282.53802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03947	1.8
55.01873	0.5
55.05512	8.7
55.83624	0.4
57.03433	1.2
57.07079	2.9
65.03935	1.1
67.05506	30.5
69.07072	8.8
71.04987	1.7
71.08627	0.7
71.56068	0.3
74.76558	0.4
77.03928	0.6
77.42184	0.4
78.97207	0.4
79.05495	40.4
80.24065	0.4
81.07059	34.5
83.04964	0.9
83.08622	5.0
85.06547	3.8
91.05482	20.0
91.66061	0.3
93.07046	56.1
95.04967	2.4
95.08610	26.8
97.06548	2.7
97.10161	2.5
99.08102	3.0
105.04496	0.8
105.06313	0.6
105.07031	14.6
107.08598	36.0
109.06510	1.4
109.10154	10.9
111.08067	2.6
113.09635	1.0
115.05519	0.5
117.07034	5.1
119.08588	12.6
121.10149	34.1
123.08077	0.4
123.11714	4.5
125.09634	1.1
130.07750	0.5
131.08575	11.9
133.10133	10.6
135.08052	0.6
135.11699	27.1
137.09634	1.1
137.13257	1.1
139.11160	0.6
145.10132	11.0
147.11699	8.7
149.13261	21.7
151.11192	0.9
151.14810	0.5
153.12724	0.7
159.11693	7.6
161.13268	9.4
163.11177	0.4
163.14832	16.8
165.12671	0.9
167.15077	0.4
173.13275	8.2
175.14828	3.7
177.12621	0.4
177.16417	5.2
179.14326	1.2
187.14851	5.2
189.16354	0.5
201.00700	0.4
201.16345	2.7
203.17932	0.5
205.15762	0.6
215.05930	0.4
215.17885	1.5
219.17471	0.7
233.22643	1.1
243.21091	27.4
261.22147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.5
53.03932	1.3
55.01858	0.8
55.05273	0.8
55.05511	9.0
57.03420	0.8
57.07082	2.5
65.03931	0.7
66.10435	0.4
67.05502	29.5
69.07069	8.5
69.41418	1.9
69.41836	1.5
71.04983	1.6
71.08620	0.8
72.12268	0.5
77.03889	0.7
79.05492	37.3
81.07054	32.8
83.04959	1.0
83.08620	4.9
83.12718	0.5
85.06525	1.9
89.64312	0.5
91.05480	17.6
93.07042	48.5
94.97955	0.5
95.04957	2.1
95.08603	23.0
97.06528	2.2
97.10171	1.9
99.08080	2.8
105.04509	0.8
105.06305	0.6
105.07024	13.3
107.08593	31.8
109.06535	1.4
109.09467	0.9
109.10162	11.6
111.08076	2.1
113.09623	1.2
117.07021	4.5
119.08584	10.1
121.10142	30.1
123.08038	0.8
123.11684	3.5
125.09674	0.9
131.08565	9.5
133.10126	10.2
135.11688	28.6
137.09570	1.3
137.13213	0.8
141.12720	0.6
143.08768	0.5
145.10118	10.6
146.53955	0.4
147.11690	9.2
149.09546	1.3
149.13251	19.7
151.11246	1.0
151.14839	0.7
153.12753	0.8
159.11693	8.2
161.13245	9.6
163.14816	15.2
165.12726	1.5
173.13257	8.0
175.14833	3.6
177.16402	4.2
179.14304	1.5
187.14825	5.6
201.16357	2.8
203.17949	0.6
205.15880	0.5
215.17972	1.9
219.17465	0.9
233.22516	0.6
243.21088	27.6
261.22128	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.7
55.05505	3.4
56.05027	1.8
56.96569	13.1
57.03443	9.0
57.07068	1.3
58.06582	2.9
60.04512	2.6
60.08157	1.7
61.02919	3.9
63.22705	1.0
67.05491	2.5
69.03433	17.7
69.07068	3.5
70.06588	3.9
71.01352	1.8
71.04990	3.6
71.56097	1.2
72.08157	2.9
73.02912	17.7
74.06089	6.4
79.05513	4.9
81.03420	4.4
81.07054	10.7
83.04971	2.5
83.08615	1.6
84.08153	4.1
84.96022	1.8
85.02908	16.8
85.06538	1.4
86.09711	22.0
87.04462	4.5
89.00741	1.6
90.25823	1.0
91.05479	3.8
93.07037	5.2
95.00758	2.5
95.01338	1.6
95.04980	3.0
95.08623	2.8
96.01547	1.0
97.02893	19.9
97.06516	2.8
98.97591	42.4
99.04440	1.7
101.00785	1.8
102.01540	3.2
104.01290	3.1
105.07033	2.8
107.04906	1.1
107.08595	3.7
109.02880	1.7
109.10172	1.3
110.01274	5.2
110.97561	12.2
112.99138	2.2
113.01778	1.1
115.03957	5.0
116.01279	2.9
116.98629	12.4
117.07087	1.2
118.01050	1.1
119.01814	11.1
119.08547	2.3
120.08103	3.0
121.02851	0.9
121.06504	2.5
121.10159	1.9
123.08062	1.8
124.99133	2.4
125.01820	4.2
127.00620	1.0
127.03921	3.4
127.07545	1.5
128.02330	6.4
128.98616	10.2
130.06500	2.3
131.00151	2.5
131.01813	6.2
132.10233	7.9
133.10156	2.0
134.02289	1.4
134.99631	2.0
135.11754	1.3
137.01826	2.8
137.05972	3.1
138.02606	1.4
140.02310	4.7
140.98570	2.5
143.00186	3.3
145.01678	1.8
145.06419	1.7
145.10159	1.6
146.02295	9.3
146.06026	1.3
146.99643	3.5
147.03183	1.5
149.02380	2.3
149.05946	1.4
150.96942	1.2
152.02237	1.2
152.98593	1.6
153.12782	1.9
154.02040	2.7
155.02838	5.3
158.06047	5.4
158.99657	23.7
161.01241	3.2
161.02879	2.2
163.02643	1.8
164.03490	1.1
165.06627	1.9
167.02835	4.7
167.07118	1.8
167.08527	1.2
170.99640	9.2
172.07515	1.5
173.01274	2.0
173.09636	1.4
176.03368	100.0
176.53520	4.0
177.00723	11.8
185.03903	53.6
185.54095	2.9
186.07268	3.8
189.00679	8.2
189.09190	1.3
194.04396	2.0
195.07799	20.1
196.54718	16.2
199.15250	1.2
200.02321	1.3
201.00783	3.8
201.05461	2.1
202.08966	1.2
204.08250	2.4
207.01756	2.0
207.10225	1.7
215.18192	1.0
215.59148	1.9
217.06143	1.0
217.16345	2.0
219.01794	7.2
225.11302	2.0
227.09550	1.8
231.01758	1.4
237.02840	3.8
240.07021	1.1
243.08011	3.1
244.13249	1.6
245.14810	1.3
245.70662	1.0
249.02713	2.4
261.02838	1.0
261.07599	3.1
261.09930	23.3
261.12604	16.0
261.15271	1.6
261.60077	3.1
262.14334	1.5
269.10614	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	1.5
70.36530	0.3
71.95267	0.3
71.98626	0.1
74.59483	0.1
82.99822	0.5
84.96035	0.3
98.97585	13.5
99.97942	0.3
100.97210	0.4
100.97993	0.3
101.00883	4.3
102.00900	0.1
102.96878	0.8
110.97581	0.3
112.99141	0.2
116.98618	5.3
117.98895	0.1
118.72417	0.1
118.98224	0.2
118.99068	0.2
119.01920	5.2
120.02008	0.2
120.97915	0.6
122.97808	0.2
124.99139	0.1
128.98631	0.3
134.99667	1.2
137.02953	0.5
140.98743	1.1
143.00214	0.6
143.01956	0.1
147.93727	0.1
152.98598	0.2
153.00888	0.1
157.01971	0.2
158.99852	3.0
161.01251	0.2
165.99530	0.2
170.99629	0.4
173.01193	0.4
177.00949	11.5
178.01089	0.1
182.99820	0.9
189.00690	0.3
191.02289	0.2
193.04076	0.2
195.01952	0.2
199.03000	0.3
200.02512	0.1
201.00919	3.4
217.04071	2.1
219.01996	17.2
219.97740	0.1
220.02196	0.2
221.02492	0.2
225.00853	2.5
227.99681	0.2
231.01675	0.1
234.00735	0.2
236.98602	0.2
237.02820	0.4
237.98753	2.0
241.33554	0.1
242.03665	0.2
243.01996	13.9
244.02104	0.2
260.99875	4.7
261.03046	100.0
262.03232	1.1
263.03488	0.4
266.03638	0.2
275.04645	0.2
278.96857	1.2
279.00620	4.6
279.03754	0.3
284.04678	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55705	0.5
56.96565	27.3
57.03437	0.7
60.95858	2.9
64.56297	0.5
66.96078	0.6
70.06586	0.6
70.79250	1.4
70.98123	2.0
71.95281	3.1
72.08150	1.2
74.97601	3.3
75.94552	0.6
82.89850	0.5
82.99834	0.7
84.04507	1.5
84.08157	3.7
84.96037	8.4
85.02921	1.2
85.08462	1.7
86.09709	12.2
86.97590	2.1
92.98662	0.7
94.44814	0.5
94.49397	0.5
97.02889	1.2
97.06528	0.9
98.97586	100.0
99.15144	0.7
99.97929	1.5
100.97212	1.2
101.00871	6.1
102.96871	19.5
103.00669	0.9
110.97575	12.8
112.99146	4.1
113.00867	0.7
115.02467	1.0
116.98627	34.1
119.01925	5.7
120.97907	8.9
121.01714	1.4
124.99120	5.4
126.97066	0.9
127.00697	1.5
128.98596	7.6
129.02277	0.6
129.10245	0.8
130.05019	2.6
130.08672	0.6
131.00172	3.1
131.01895	1.4
131.03795	0.8
133.03438	1.0
134.92641	0.6
134.99652	7.6
136.99129	1.1
138.98964	2.1
140.98601	8.3
143.00166	11.5
143.01932	0.8
144.98091	1.0
145.01697	1.1
145.04926	0.6
146.99608	3.0
147.03203	0.8
147.07652	1.5
148.06059	2.0
149.01201	1.7
149.04863	1.3
152.98630	3.0
155.00156	3.7
155.01883	1.4
157.01779	0.9
158.99673	17.6
161.01233	5.5
161.03014	1.6
165.00703	0.5
170.99663	8.8
172.94377	0.9
173.01241	10.0
173.02827	1.4
174.99142	0.9
175.02818	1.5
175.06406	0.9
176.93674	1.8
177.00783	13.3
178.03967	0.6
179.02220	1.1
182.99687	4.1
183.01149	0.8
189.00706	8.1
189.06093	0.6
190.95329	0.6
191.02283	6.3
193.03908	0.8
194.94688	0.9
194.99617	0.7
195.01646	0.8
196.04980	0.6
201.00775	13.7
201.02472	3.4
201.04291	0.9
203.02307	1.0
203.04053	1.0
205.00172	0.6
207.01811	1.8
209.03279	0.8
213.00821	1.0
214.03821	0.6
217.04095	1.2
218.94772	0.9
219.01799	30.5
219.09152	0.9
221.05064	0.9
225.00912	1.5
229.03317	1.4
231.01805	2.5
236.95839	1.6
237.02786	12.7
237.98688	4.0
242.98567	0.8
242.99167	0.8
243.01930	9.9
243.04393	0.8
249.02792	1.1
250.05823	0.7
260.95935	5.8
260.99710	12.6
261.03043	65.2
261.05844	13.5
261.09244	8.1
261.14279	1.0
263.03717	0.6
278.96875	23.1
279.00632	12.2
279.03912	8.8
284.04675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01855	1.9
55.05508	5.3
56.96563	3.2
57.03445	2.6
59.04986	4.3
67.05513	10.8
69.03411	1.9
69.07072	8.9
69.53372	11.8
70.07394	2.7
71.04985	11.1
71.75441	1.8
79.05130	1.5
79.05497	16.7
80.05807	1.9
81.03049	1.6
81.03427	15.7
81.07062	17.9
83.04963	5.2
83.08611	5.8
85.06562	2.4
87.04478	2.6
89.03915	2.1
91.05486	13.6
93.07049	10.0
95.04968	5.6
95.08591	3.5
97.06534	35.9
98.06853	22.3
98.21397	3.6
98.97580	4.4
103.05454	1.7
105.07051	9.6
107.04934	2.1
107.08602	6.7
108.61910	1.7
109.06522	2.3
111.08091	4.0
116.98653	1.9
118.03712	3.4
119.08537	8.9
121.10138	9.1
123.11621	2.3
124.42828	1.6
129.07007	5.2
131.00143	2.1
131.08606	8.4
133.10120	13.3
135.04431	2.5
136.04796	1.6
146.03253	2.1
147.11710	10.2
149.09654	14.6
157.10172	10.7
160.04814	3.0
161.02307	3.6
162.02673	5.9
163.03951	7.5
164.04251	12.2
167.10716	3.4
168.67703	1.6
173.02359	5.9
174.02669	12.9
175.11192	12.8
180.89439	1.5
181.72354	1.5
193.12242	33.2
197.15398	2.6
199.13300	4.4
211.13309	100.0
215.07085	2.0
216.07394	22.4
225.14877	9.1
238.09619	4.3
260.10016	12.7
260.12866	7.2
260.16608	2.4
265.81003	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	260.1606
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
53.03936	1.1
56.05033	5.8
56.96564	8.0
57.03415	1.4
58.06583	1.0
58.99594	1.1
60.04549	1.1
61.02926	1.2
67.05491	1.8
69.03432	3.5
69.07056	3.6
70.06608	4.2
70.30324	1.8
70.30717	1.6
72.08156	4.2
73.02930	1.2
74.02439	7.0
74.97606	0.9
75.02778	1.6
75.05612	1.7
79.05491	1.3
81.07051	1.4
82.58317	0.8
83.06103	56.2
84.04504	72.9
84.08146	33.1
85.02918	5.7
85.04175	0.7
85.04850	3.2
86.06063	1.1
86.09705	100.0
87.04440	1.2
87.76131	0.9
94.04201	3.2
95.04929	1.4
97.02877	4.3
97.06549	2.3
98.06079	1.0
98.09669	1.5
98.21353	1.0
98.97598	16.0
101.07142	7.1
110.06056	1.7
110.97562	1.4
112.11253	1.4
116.59762	0.9
116.98633	7.3
118.04153	1.6
120.08121	0.9
125.04195	1.4
127.03830	1.0
128.07152	1.1
128.98624	3.8
129.06609	4.0
129.10229	6.1
130.04994	3.9
130.06564	1.0
130.08629	5.1
131.00223	1.0
131.05362	1.9
131.09007	2.2
132.10214	24.8
134.05995	2.0
134.99677	2.7
135.06816	13.3
137.05991	1.2
138.05508	2.0
140.07130	1.4
140.10710	1.0
141.06567	3.0
143.00180	1.7
143.11807	10.3
146.99666	1.7
147.07646	2.5
147.11311	2.9
151.09470	1.2
155.04672	1.3
157.13353	13.4
158.01251	1.5
158.99640	2.4
161.01216	1.1
164.69569	0.8
171.11339	5.0
177.00729	4.2
178.02052	1.0
185.12868	5.0
189.12431	1.4
195.01717	1.4
195.04158	1.1
196.14490	7.0
196.95958	2.1
197.10059	2.0
197.12843	24.7
198.11217	1.2
200.95515	4.9
204.13829	1.4
213.98650	19.2
214.05383	1.2
219.01675	1.7
222.04648	0.9
224.95514	1.5
225.12390	4.0
228.10181	1.9
237.02824	3.1
242.15002	63.2
242.96483	4.5
243.07875	1.0
243.13408	34.4
243.17184	2.0
255.03954	2.1
259.99149	2.9
260.10220	1.8
260.13110	4.6
260.16095	3.5
260.19711	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	260.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	4.6
71.54747	1.7
71.95236	2.0
82.99844	2.0
98.97586	50.6
99.97908	4.0
101.00380	1.2
101.00895	13.4
113.66338	1.2
116.98623	30.6
119.01920	35.9
134.99664	11.7
137.03001	5.6
140.00102	1.5
142.03546	1.3
172.94281	2.9
177.00731	9.2
189.00722	1.2
190.95293	1.5
194.97684	1.6
200.96600	1.7
204.13799	1.5
205.44746	1.3
213.96950	2.0
218.97653	3.4
219.01994	3.2
231.95572	1.4
236.98607	100.0
241.98943	2.2
243.02046	1.8
254.96133	3.8
254.99643	3.0
260.00107	29.0
260.04382	1.4
261.03009	12.6
272.94391	3.3
278.00989	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	260.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91930	0.6
54.98651	1.0
55.05503	1.0
56.05032	1.8
56.96569	16.5
57.03436	0.8
60.43137	0.6
61.02903	0.9
69.03440	0.7
69.07069	1.4
70.10509	0.7
70.55136	1.3
70.55505	1.5
70.98124	1.2
71.95261	2.8
72.08160	16.2
82.99854	0.9
84.04510	2.0
84.08147	42.6
84.96030	1.4
85.02907	2.1
85.21109	0.6
86.09709	11.8
87.04456	0.6
93.08918	0.6
96.04471	0.8
97.02898	2.2
98.09686	0.8
98.97588	100.0
99.97928	7.0
100.97202	1.0
101.00877	4.3
101.10767	1.4
101.97215	1.5
102.00961	1.9
102.96900	3.4
109.02851	0.8
110.97576	3.6
112.11246	1.2
112.99158	1.0
113.01006	0.6
116.98627	42.0
117.99002	1.4
119.01926	7.2
120.02036	2.4
120.97912	0.9
127.03927	1.2
128.98611	3.1
129.10237	5.7
130.01761	0.7
130.05006	3.2
130.08652	3.1
130.93306	0.7
132.97992	0.6
134.03607	0.9
134.99654	10.2
140.00209	1.5
140.98654	1.7
143.00179	1.9
143.11815	12.3
146.99622	1.1
147.07628	4.5
147.11273	5.0
158.01286	1.5
158.99654	5.5
160.00085	0.9
160.02850	1.1
161.01353	1.1
161.02901	1.6
162.03032	0.7
170.99673	2.5
171.11302	6.5
173.01227	1.4
176.01115	1.0
177.00719	12.3
177.04208	0.6
189.00694	2.0
190.02667	1.1
191.02122	1.0
194.97760	0.9
195.01773	3.1
195.05241	1.2
197.16524	0.9
200.02359	1.0
201.00783	0.9
207.01720	1.2
213.98643	1.2
218.02090	2.4
218.97684	1.1
219.01805	7.0
219.05339	1.7
224.08002	0.8
231.95367	0.7
236.03342	1.2
236.95119	1.4
236.98643	22.8
237.02617	6.9
237.06390	0.9
241.98959	1.8
242.07005	0.7
242.22336	0.7
243.17026	3.6
254.96176	3.8
254.99756	0.7
255.03883	2.5
259.99969	28.0
260.04575	2.5
260.15985	1.2
260.19699	10.1
261.00064	1.1
261.03000	3.8
261.05597	1.0
272.97195	0.9
277.94672	0.9
277.97702	2.3
278.00995	22.9
278.04114	1.7
278.96814	2.2
279.00858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59893	1.3
52.39214	1.4
56.05034	2.7
56.96298	1.5
56.96566	21.1
61.02912	1.3
67.05473	1.2
69.03445	3.0
69.48968	8.9
70.06593	4.2
70.98117	3.1
72.08151	5.5
73.02923	1.4
81.03418	1.5
84.04502	2.7
84.08148	48.9
84.96032	3.8
85.02908	4.3
86.09708	8.4
94.02879	1.3
97.02895	3.8
98.06058	1.3
98.09683	2.3
98.97591	100.0
99.97945	3.2
100.02235	1.1
100.97996	1.5
101.00869	1.7
102.43022	1.3
102.96811	2.2
109.02895	1.9
110.97572	8.3
115.00708	1.3
116.98627	40.7
119.01924	2.3
128.98601	5.8
129.10223	8.7
130.04967	2.0
130.08644	4.0
134.99675	11.5
135.06862	1.6
139.07465	1.4
140.00194	1.9
140.03424	1.4
140.98628	2.2
143.00163	4.0
143.08133	2.0
146.02766	1.2
146.99641	2.7
147.07607	1.5
147.11275	7.3
149.01239	1.8
157.07631	1.2
158.01219	2.1
158.99680	7.2
160.00002	2.6
161.01161	1.4
170.99686	3.4
171.01067	1.8
173.01260	2.0
177.00746	16.8
182.01247	1.7
188.02278	1.4
189.00717	3.1
195.01779	5.1
200.02460	2.1
204.07730	1.2
218.01897	1.9
219.01743	8.5
236.98706	9.8
237.02762	14.0
243.16988	3.1
248.86720	1.5
250.26501	1.3
254.96220	3.6
255.03879	8.3
260.00009	10.4
260.04669	3.7
260.19696	12.7
261.02982	1.7
277.98221	1.1
278.00974	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	259.2058
Annotation	Bactacine
Peak:m/z	Relative Intensity
55.01865	0.7
55.05503	4.0
57.07065	2.8
66.53094	0.5
67.05228	0.6
67.05511	7.0
67.08441	0.6
69.07071	6.8
69.32294	0.6
69.88187	1.9
69.88593	1.0
71.04991	3.1
79.05485	4.2
81.05045	0.5
81.07060	25.9
83.08611	1.7
85.06540	1.5
88.41833	0.6
91.05479	9.1
93.07040	10.8
95.04964	3.3
95.08613	17.0
97.06532	1.4
97.10148	0.8
105.07024	11.1
107.08605	7.8
107.94538	0.6
109.06519	5.3
109.10156	9.1
109.59853	0.5
111.08074	2.3
111.11682	0.6
117.07021	8.2
119.08583	32.4
121.10151	7.3
123.08080	2.0
123.11710	62.9
123.91099	0.6
128.06186	1.0
129.07011	3.2
130.07768	1.4
131.08566	8.1
133.10138	8.2
135.08066	13.1
135.11711	2.2
137.09628	13.0
139.11156	0.9
142.07738	0.9
143.08568	3.4
145.10129	20.1
145.11285	1.0
147.08142	0.7
147.11705	8.5
149.09650	3.7
149.13202	0.8
151.11157	0.7
156.09268	1.0
157.10117	5.5
159.11707	16.1
161.09599	1.4
161.13258	4.1
163.11192	1.8
163.14861	0.8
165.12798	1.5
171.11687	5.5
173.13260	5.4
175.11201	1.5
175.14821	6.6
178.34114	0.7
179.14354	0.7
185.13231	6.2
187.14781	1.5
189.12711	2.2
189.16429	1.4
191.14279	1.5
199.14796	2.8
200.71187	0.7
201.16377	6.7
203.14369	2.5
213.16364	0.8
215.17912	2.2
217.19490	1.1
241.19498	8.2
259.20578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05492	11.6
57.07056	5.5
58.94496	2.6
59.06013	2.8
67.05490	12.6
69.07066	35.7
69.24295	27.9
69.24597	2.6
71.04990	32.7
75.73674	2.5
77.09197	3.1
79.05483	3.9
81.07070	17.1
83.04973	7.3
83.08595	10.5
85.06542	21.0
91.05473	11.4
93.07022	16.4
95.04976	3.4
95.08604	17.7
97.06528	4.0
98.20789	5.0
105.07036	30.1
107.08597	22.0
109.06516	9.7
109.10184	16.1
110.01516	2.9
111.08097	18.2
117.07014	6.8
119.08578	63.7
121.10174	15.5
123.08112	3.1
123.11714	30.4
131.08566	18.3
133.10118	46.5
135.08025	14.4
135.11642	6.8
137.09563	4.2
142.07799	3.3
143.08534	7.6
145.10117	32.8
147.11667	20.1
149.09610	2.8
156.09360	4.3
157.10103	10.4
159.11684	32.2
160.12450	5.4
161.13254	44.9
170.10873	3.8
171.11710	17.1
173.13260	8.9
175.11171	4.7
175.14830	100.0
176.15652	6.5
177.12560	3.7
177.16417	5.6
185.13287	17.9
189.12749	4.6
189.16330	6.7
199.14738	4.8
201.16365	27.2
203.14317	8.7
215.17946	3.8
241.19507	14.8
242.25958	3.4
245.81715	2.7
259.20560	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03944	0.7
55.01868	0.7
55.05512	10.7
55.12585	0.5
57.03438	1.5
57.07070	3.0
65.03955	0.9
67.05506	13.5
69.07068	6.6
69.21603	0.8
69.22000	5.2
71.04991	1.3
79.05492	14.6
81.07057	14.7
83.04982	1.0
83.08619	4.7
85.06559	1.0
91.05483	33.9
93.07040	14.5
95.04969	1.5
95.08609	10.6
97.06535	2.1
97.10174	1.3
99.08102	2.4
99.57123	0.5
103.05454	1.6
105.03407	0.8
105.07034	74.2
107.04993	0.6
107.08598	7.6
109.06557	0.7
109.10162	3.6
111.08120	0.6
115.05441	2.7
116.06242	0.7
117.07021	35.4
118.07843	0.6
119.08583	42.0
119.68096	0.6
121.10136	6.0
123.08030	0.7
123.11665	0.8
125.09630	0.9
128.06183	3.9
129.07005	15.0
130.07826	0.8
131.08569	35.7
133.10135	32.9
135.08038	1.3
135.11699	3.8
137.09601	0.9
139.11206	0.8
142.07779	2.4
143.08562	19.7
144.09416	0.6
145.10124	33.9
147.08102	0.7
147.11687	25.1
148.70483	0.5
149.09612	2.1
149.13286	2.7
155.06059	0.6
155.08676	0.6
156.09328	1.0
157.10129	14.4
159.11696	43.7
161.09596	1.1
161.13266	19.3
163.11217	1.0
163.14832	0.8
170.10965	0.9
171.11699	17.2
173.13266	27.2
174.47920	0.6
175.11212	0.9
175.14806	6.3
177.12738	1.4
181.70334	0.6
183.11737	0.8
185.13269	20.5
187.14835	2.5
189.12755	0.8
189.16473	0.9
199.14824	14.7
203.14345	1.1
213.16342	3.7
215.18027	1.7
217.15973	0.6
225.42812	0.7
231.21066	3.2
241.19513	27.9
247.79747	0.6
259.20575	100.0
260.20996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	12.4
57.07059	4.3
62.87740	2.0
65.03954	2.5
67.05502	12.5
69.06738	2.3
69.07071	37.9
71.04995	27.4
71.67921	2.1
79.05477	9.6
81.07059	20.4
82.64979	2.4
83.04967	7.7
83.08598	8.9
85.06544	21.8
91.05460	14.3
93.07050	17.7
95.05013	4.0
95.08605	17.6
97.06516	9.7
97.10141	2.2
105.03369	8.1
105.07036	35.6
107.08596	19.3
109.06511	9.0
109.10176	17.1
111.08086	19.6
117.07019	8.3
119.08588	58.9
121.10162	13.9
123.11724	24.7
129.01897	2.6
129.07021	5.2
130.07774	3.0
131.08577	15.4
133.10123	35.4
133.49667	2.3
135.08064	19.4
135.11661	5.9
137.09613	4.8
142.07684	3.6
142.25017	2.2
143.08577	10.8
145.10123	32.6
147.11699	21.7
149.09532	3.0
156.09335	2.1
157.10101	10.4
159.11702	33.2
161.13260	36.6
163.11081	3.1
171.11694	17.5
173.13213	8.5
175.11229	6.9
175.14833	82.4
176.15611	4.9
177.12737	5.4
185.13266	13.3
189.12703	3.2
189.16391	7.5
190.13510	3.4
199.14810	6.2
201.16380	21.9
203.14253	8.2
215.17931	6.6
241.19576	15.2
259.11267	4.9
259.20569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	(S,S)-traseolide
Peak:m/z	Relative Intensity
52.80699	0.4
53.03933	1.1
55.01859	1.1
55.05512	12.5
57.03432	0.9
57.07074	4.2
64.35307	0.5
65.03915	0.7
67.05180	0.6
67.05508	9.7
69.03406	0.5
69.07069	7.1
70.17796	1.9
70.87589	0.4
71.04977	0.9
71.08635	6.6
72.04512	0.6
75.30745	0.4
76.65250	0.5
79.05490	9.2
81.06581	0.7
81.07058	11.5
83.08154	0.6
83.08614	8.4
85.06538	0.9
91.05481	22.1
93.06493	0.5
93.07047	9.3
95.04982	1.0
95.08603	7.9
97.06524	2.2
97.10150	0.7
99.08096	4.7
103.05483	1.1
105.07032	41.1
107.04947	2.6
107.08595	5.9
109.06489	1.3
109.10143	2.0
111.08051	1.1
111.11704	1.6
112.92346	0.4
115.05428	2.2
117.07018	21.4
117.07851	1.1
119.04943	1.3
119.08586	17.5
121.06495	8.1
121.10154	2.9
123.08050	0.9
123.11666	0.8
125.13239	0.5
128.06223	2.9
129.07002	15.0
130.07790	1.3
131.04924	0.5
131.08568	16.4
131.87965	0.5
133.06494	17.4
133.10132	13.3
135.08040	1.6
135.11716	2.6
136.10999	0.5
137.09596	0.9
139.11185	0.8
141.06978	0.7
142.07790	1.7
143.07495	0.9
143.08559	13.2
145.06502	0.7
145.10126	22.3
147.08061	6.6
147.11684	16.6
149.09587	1.2
149.13219	1.9
151.11205	0.8
156.09404	0.8
157.10129	10.2
159.08243	0.5
159.11685	14.5
161.09608	1.9
161.11972	0.9
161.13260	12.7
163.11169	1.5
163.14798	0.9
167.98410	0.5
169.10155	0.6
171.11690	9.8
171.13130	0.7
173.13260	9.6
175.11200	1.6
175.14871	4.7
177.12685	3.0
180.84447	0.4
185.13269	9.5
187.14786	1.5
187.79532	0.5
189.12741	42.7
199.14819	6.6
201.16420	0.7
203.14308	1.5
213.14713	1.2
213.16431	1.3
215.17972	1.6
231.21060	1.9
231.25125	1.9
239.18237	0.6
241.19518	18.6
241.23308	0.9
256.23755	0.4
259.20575	100.0
259.24396	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	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03940	0.8
55.01874	1.0
55.05509	6.7
57.03436	1.4
57.07074	2.0
59.85212	0.2
65.03940	0.7
67.05505	13.3
69.07067	5.6
69.07453	0.3
69.46349	1.3
70.43582	0.1
71.04998	1.4
71.08621	0.6
73.79720	0.2
77.03934	0.3
78.04710	0.2
79.05492	12.2
81.03403	0.3
81.07056	12.7
83.04981	0.6
83.08617	2.2
85.06536	1.3
85.10166	0.3
85.84998	0.2
86.58510	0.2
89.12405	0.2
91.05480	25.6
93.07042	13.3
95.04955	1.0
95.08610	9.4
95.09244	0.3
97.06522	1.7
97.10175	0.9
99.08088	1.1
103.05461	0.9
104.06269	0.2
105.07030	37.3
107.04943	0.6
107.08591	7.0
108.08066	0.3
109.06550	0.9
109.10157	3.1
111.08085	0.8
111.11708	0.3
113.09634	0.5
115.05447	0.8
116.06213	0.4
117.07018	9.2
118.07809	0.4
119.08581	29.1
121.06504	0.5
121.10136	4.8
122.06055	0.4
123.06371	0.4
123.08087	0.5
123.11704	0.7
125.09593	0.4
128.06215	1.1
129.06998	5.4
130.07787	0.6
131.08569	11.8
132.09352	0.3
133.03474	0.2
133.06523	0.5
133.10129	24.9
135.08052	1.0
135.11697	3.6
136.07547	0.4
137.07895	0.6
137.09615	0.5
139.11186	0.4
142.07780	1.0
142.92046	0.2
143.08557	6.3
143.09685	0.4
144.09355	0.5
145.10121	11.6
147.08051	1.3
147.11684	19.1
149.09692	1.1
149.13261	2.4
151.11171	0.6
155.08522	0.2
156.09280	0.5
157.10127	5.9
159.11688	10.6
161.09660	1.2
161.13255	13.7
163.03896	0.4
163.11162	1.2
163.14839	0.7
165.12784	0.3
169.10178	0.4
171.04543	0.2
171.11690	7.7
172.04810	0.5
173.02382	0.3
173.03975	0.2
173.11746	0.3
173.13261	5.2
175.11247	1.2
175.14827	8.0
177.12718	1.0
177.14737	0.4
177.16243	0.2
185.13263	6.7
187.14804	1.3
189.12679	1.0
189.16370	0.5
191.14304	0.3
199.14809	4.0
201.16397	0.4
203.14345	0.6
203.18057	0.2
213.12506	0.3
213.16383	1.3
215.17950	1.1
217.15900	0.5
217.19482	0.3
231.17409	0.6
231.21051	2.8
241.11855	5.0
241.19510	15.2
242.11203	0.5
259.20563	100.0
260.20868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
53.03946	0.6
53.66964	0.2
55.01869	0.8
55.05511	7.2
57.03432	1.2
57.07077	2.0
60.98479	0.2
61.79381	0.2
65.03933	0.8
67.05503	13.3
69.07069	5.6
71.05000	1.4
71.08632	0.8
71.56908	0.4
77.03928	0.4
79.05492	12.2
81.03371	0.3
81.07056	13.4
83.04984	0.6
83.08619	2.5
85.06533	1.3
89.03953	0.2
91.05480	25.0
93.07043	12.7
95.04971	1.1
95.08604	9.0
97.06538	2.4
97.10174	0.7
99.08094	1.3
103.05448	0.9
104.06216	0.2
105.07029	37.8
107.04960	0.6
107.08597	6.7
109.06517	0.7
109.10152	3.4
111.08105	0.9
113.09700	0.3
114.09421	0.2
115.05483	0.8
116.06260	0.3
117.07016	8.8
118.07795	0.3
119.08579	30.1
121.06515	0.5
121.10141	5.0
123.08073	0.7
123.11710	0.7
125.09618	0.3
128.06242	0.9
129.07007	5.7
130.07796	0.8
131.08565	12.8
132.09361	0.3
133.10129	23.8
135.08041	1.1
135.11702	3.5
137.09616	0.4
137.13231	0.3
139.11185	0.4
141.06973	0.3
142.07762	0.9
143.08559	6.7
143.09695	0.3
144.09354	0.3
145.10126	11.7
146.10910	0.4
147.08038	1.3
147.11687	19.7
149.09625	1.4
149.13269	2.1
151.11177	0.6
156.09361	0.6
157.10126	6.5
159.11687	10.5
160.08868	0.2
160.12416	0.3
161.09666	1.0
161.13252	14.1
163.03900	0.6
163.11180	1.1
163.14803	0.4
165.12732	0.5
169.10257	0.2
171.11691	8.2
173.02301	0.3
173.09583	0.2
173.13258	6.0
175.11188	1.2
175.14824	8.5
177.12766	1.2
179.14258	0.3
184.12521	0.3
185.13258	6.9
186.96846	0.3
187.14815	1.5
188.11862	0.2
189.12758	1.1
189.16396	0.6
191.14337	0.3
199.14821	3.9
201.16447	0.7
203.14265	1.0
213.16356	1.4
215.07018	0.3
215.17969	1.5
217.15862	0.5
217.19545	0.4
231.17584	0.3
231.21051	2.7
241.19507	16.7
259.20563	100.0
260.20883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
52.02226	0.2
53.03942	0.6
55.01868	0.8
55.05511	6.3
55.33595	0.2
56.96542	0.2
57.03434	1.1
57.07072	1.4
59.04997	0.4
63.13075	0.2
65.03942	0.7
66.03345	0.2
67.05506	13.9
69.03417	0.3
69.07070	4.6
69.46268	0.6
69.46687	1.1
71.05002	1.2
71.08624	0.4
72.08146	0.5
77.03922	0.4
79.05494	12.6
81.07059	13.3
83.04988	0.5
83.08614	2.1
85.06545	1.3
85.10182	0.4
90.09187	0.4
91.05481	28.0
93.07043	12.6
95.04985	1.0
95.08608	9.9
97.06538	1.9
97.10171	0.5
99.08098	1.0
100.33236	0.2
103.05467	1.0
105.07030	38.9
107.04945	0.5
107.08594	7.9
109.06535	0.5
109.10159	3.3
111.08092	0.5
113.09628	0.5
115.05444	0.9
116.06226	0.3
117.07018	9.9
117.07846	0.6
118.07826	0.3
119.08584	27.8
121.06498	0.7
121.10139	4.8
123.08058	0.5
123.11717	0.9
125.09617	0.4
128.06230	0.8
129.07010	5.7
130.07773	0.8
131.08571	11.2
132.09306	0.4
133.10132	26.0
135.08041	1.0
135.11713	3.8
137.09610	0.6
139.11191	0.2
142.07767	0.7
143.08569	6.0
144.09335	0.4
145.10126	11.4
146.10835	0.3
147.08058	0.6
147.11691	20.4
148.49626	0.2
149.09625	1.1
149.13255	2.2
151.11180	0.5
155.08563	0.3
156.09286	0.5
157.10127	6.7
158.10840	0.2
159.11694	10.3
160.12424	0.3
161.09669	1.0
161.13258	14.5
163.11148	0.6
163.14828	0.9
165.12785	0.4
169.10132	0.3
171.11693	7.0
173.13269	6.0
175.11185	0.6
175.14832	6.6
177.12746	0.9
178.80254	0.2
179.14366	0.3
183.11653	0.3
185.13263	7.4
187.14812	1.3
189.12759	1.1
189.16367	0.5
199.14828	3.9
201.16325	0.4
203.14362	0.5
212.15567	0.3
213.16382	1.2
215.18028	1.1
217.15877	0.7
231.17480	0.4
231.21080	2.8
241.19518	13.9
259.20569	100.0
259.28052	4.4
260.20947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.02370	0.4
52.02204	0.2
53.03945	0.6
55.01865	0.6
55.05510	6.2
57.03439	1.2
57.07079	1.8
65.03925	0.5
67.05504	14.6
69.03422	0.3
69.07066	5.5
70.75275	0.2
70.80357	0.7
71.04995	1.1
71.08631	0.5
77.03903	0.5
79.05489	12.3
81.07052	14.3
83.04960	0.6
83.08610	1.6
83.55209	0.2
85.06550	1.1
91.05477	28.5
93.07042	14.1
95.04980	0.9
95.08604	9.4
97.06531	2.3
97.10162	0.9
98.20850	0.3
98.21387	0.3
99.08093	1.2
103.05461	0.8
105.07027	40.7
107.04941	0.6
107.08593	6.8
109.06511	0.7
109.10144	3.7
111.08096	1.0
113.09653	0.2
115.05460	0.8
117.07011	10.0
118.07810	0.3
119.08575	29.3
121.06491	0.6
121.10132	4.9
123.08081	0.5
123.11680	0.8
125.09618	0.5
128.06178	1.1
129.06993	5.6
130.07776	0.7
131.08563	13.1
132.09360	0.4
133.10126	25.6
135.08044	1.0
135.11690	3.2
137.09637	0.4
139.11166	0.2
141.06967	0.3
142.07774	0.8
143.07497	0.4
143.08560	6.6
144.09337	0.4
145.10120	13.3
146.10924	0.3
147.08081	1.0
147.11682	20.3
148.88451	0.2
149.09612	1.2
149.13269	2.2
151.11188	0.6
155.08604	0.2
156.09265	0.5
157.10123	6.1
158.10849	0.4
159.11682	11.5
160.12456	0.3
161.09605	1.0
161.13249	15.5
163.03976	0.3
163.11172	0.8
163.14815	0.7
165.12685	0.4
169.10110	0.5
170.10849	0.4
171.11687	8.5
173.13260	5.4
175.11217	1.1
175.14813	8.1
177.12756	1.2
183.11684	0.4
185.05150	0.2
185.13246	7.0
187.14778	1.5
189.12665	1.0
189.16344	0.5
191.14342	0.4
193.15970	0.2
197.74812	0.2
199.14803	4.2
201.16389	1.1
203.14252	0.6
203.73096	0.2
212.15825	0.2
213.16339	1.4
215.17963	1.3
217.15868	0.6
217.19528	0.4
217.92851	0.2
219.22722	0.2
221.87283	0.2
231.17422	0.6
231.21056	2.9
241.19496	16.4
259.20557	100.0
260.20935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0967
Annotation	Isorhapontigenin
Peak:m/z	Relative Intensity
53.03937	0.9
53.63650	0.4
55.01875	4.1
55.05501	1.5
57.03434	2.3
58.76316	0.4
67.05509	3.5
69.03436	1.7
69.07071	14.7
69.89767	2.2
70.39164	0.4
77.03938	0.5
79.05499	12.9
81.03407	0.4
81.07066	0.5
85.02875	0.4
89.03919	5.0
91.05486	0.7
95.04976	1.2
97.02897	0.7
97.06533	100.0
98.97588	0.5
105.03396	0.4
107.04964	1.0
109.10162	0.7
109.69994	0.5
117.03387	6.2
119.04962	0.5
119.08561	0.5
131.08549	0.6
132.02115	0.5
133.02861	4.3
134.03699	0.8
135.04419	7.5
141.07001	0.5
145.02837	5.5
145.08510	0.5
145.10091	0.6
147.04419	0.6
151.00717	0.4
156.96741	0.5
159.04408	3.9
161.02348	13.7
162.03151	0.4
163.03911	44.8
168.58934	0.5
173.02350	34.4
175.03851	0.4
185.06013	1.4
186.03178	0.8
187.03920	0.7
187.07594	0.9
197.06097	0.5
215.07033	43.5
241.08655	1.1
259.09662	30.4
259.20541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36663	0.1
54.98639	0.3
56.96564	6.7
57.97333	0.2
61.72398	0.1
70.73843	0.3
71.95264	2.0
96.71825	0.2
97.00167	0.1
97.64431	0.2
98.97581	100.0
99.97962	0.3
100.97167	0.5
109.27281	0.2
116.98616	34.3
118.98185	0.2
118.99015	0.2
134.39743	0.1
134.44600	0.2
134.99652	5.9
138.26959	0.1
140.00186	0.8
153.00768	0.3
158.01219	0.2
174.97650	0.3
181.97423	0.2
198.97682	0.3
216.98694	0.5
225.96286	0.2
234.99847	0.5
240.98656	3.5
258.99756	49.5
259.99899	0.3
277.00803	43.7
278.00934	0.2
279.01224	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01876	5.4
55.05500	1.5
65.94197	0.4
67.05502	3.7
68.05029	4.0
69.05798	0.4
69.07058	1.4
69.54321	0.4
70.06579	1.7
71.05000	3.6
71.57346	0.6
78.46255	0.5
79.05505	2.1
80.05013	1.5
80.62503	0.4
81.07048	2.9
82.06587	0.6
83.03725	0.5
86.54159	0.4
91.05489	2.2
93.07049	1.3
94.06546	1.4
95.04976	0.4
95.07361	0.7
95.08594	1.0
96.04478	0.5
96.08130	0.8
98.06035	0.6
105.07043	2.0
106.06563	4.8
107.08577	1.2
108.08116	10.0
108.51890	0.4
109.05255	1.2
109.06503	0.5
109.10129	1.4
117.07009	0.9
118.06548	3.1
119.08573	1.5
120.08116	3.4
121.08867	2.5
122.06027	11.5
122.09648	0.6
131.08582	0.8
132.08060	0.9
133.08856	0.5
133.10112	0.8
134.09644	2.8
136.07579	16.4
140.07074	1.0
143.08478	0.5
145.10153	0.8
146.10530	0.5
147.11710	0.9
148.07585	0.4
148.11211	1.4
150.12790	2.0
158.03682	1.0
158.46294	0.4
161.08430	0.5
161.13292	0.6
163.13567	1.7
171.04462	15.4
171.11678	0.7
172.05183	1.3
176.14366	13.8
186.12891	0.8
204.13866	3.7
212.12051	4.4
218.98750	0.5
221.31749	0.4
227.12408	0.5
240.11499	100.0
241.19533	0.6
258.12543	4.2
258.19373	1.4
258.21988	0.8
259.20584	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	258.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63120	1.1
55.01881	2.2
55.05496	1.1
56.05036	1.2
56.96565	61.8
57.03429	5.1
60.08156	1.9
61.02931	5.6
66.00502	1.1
69.03437	10.2
69.48643	8.0
70.06579	3.4
70.98123	56.7
71.04992	2.4
71.95259	2.3
72.08138	1.8
72.96086	1.3
73.02925	7.9
74.97607	2.7
78.88341	1.0
81.03402	3.2
84.04494	6.7
84.08146	27.7
84.96011	2.3
85.02427	1.9
85.02908	23.5
86.03238	1.2
86.09706	4.6
87.04465	3.2
88.98635	2.2
88.99162	32.1
89.00795	1.1
91.03938	1.4
95.04966	1.0
96.04486	1.2
97.02885	12.0
98.01279	1.1
98.21478	2.3
98.97587	100.0
99.04443	3.5
99.97925	6.0
100.99132	2.3
101.00810	2.1
101.02443	1.1
101.10779	1.0
104.10748	18.4
105.03880	2.1
107.00211	5.3
107.01778	1.3
108.75523	1.0
109.02904	2.5
110.01287	4.4
110.97566	10.0
112.99119	3.1
114.12794	8.4
116.98622	40.7
117.98955	4.1
119.01793	4.9
124.99142	1.5
125.00002	3.8
125.07097	1.5
127.03937	6.9
128.00142	1.8
128.02316	5.5
128.98602	6.3
129.10239	37.8
130.01820	1.4
130.04997	1.9
130.08688	1.7
131.00180	3.5
131.01828	1.8
132.02570	1.0
132.04382	2.3
133.03464	2.3
134.99667	15.3
136.06210	1.9
138.04434	1.3
138.05432	1.2
140.00198	2.7
140.02339	2.4
140.98604	2.1
143.00226	2.6
143.01825	2.7
143.03777	2.4
144.03304	1.9
144.98059	1.2
145.01701	1.9
145.04953	3.9
146.01230	3.5
146.02304	2.0
146.99638	3.1
147.03122	2.7
149.01215	3.1
152.02228	1.2
154.02095	2.9
155.04611	4.5
156.03435	2.3
156.98076	3.8
158.01286	1.8
158.99663	7.1
159.04840	1.2
160.97545	1.3
161.01244	1.7
161.02867	3.5
161.04840	1.5
163.02756	1.6
164.02307	3.2
168.02025	1.3
168.03529	3.2
168.05470	13.8
170.03362	1.5
170.99684	3.4
172.02638	1.3
173.01234	2.0
173.02950	2.9
173.04865	1.9
174.99155	27.7
175.00668	1.7
176.55151	1.5
177.00699	4.3
177.02338	4.7
177.04152	4.2
177.05998	14.2
182.03365	5.3
184.07413	2.1
186.04448	2.1
188.56708	1.8
189.00710	2.0
190.95308	1.6
190.98596	2.1
191.02226	3.8
191.03940	8.2
191.05844	2.6
193.00217	51.7
195.19644	1.1
198.00766	1.5
200.04466	4.2
201.00731	2.0
204.05475	1.5
208.99730	3.2
211.01268	9.7
212.05974	2.3
214.98610	1.7
216.01889	1.5
216.98137	1.2
217.00192	20.8
219.01788	2.2
219.05128	2.2
226.07130	1.9
230.07002	3.1
232.99725	5.0
233.05026	1.3
233.07047	2.4
234.92151	2.5
234.99051	1.4
235.01274	17.6
237.02841	1.6
240.13512	1.2
249.05923	1.3
249.08170	1.4
251.00797	2.3
252.96280	2.6
257.96799	2.4
258.02737	1.5
258.06210	2.2
258.08615	1.7
258.11002	2.5
258.14728	3.9
258.99631	1.1
263.00781	1.4
275.97852	12.5
276.07635	7.2
276.10294	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
52.56388	0.7
53.03934	1.2
55.01862	1.2
55.05517	6.0
57.03424	2.4
57.07074	0.8
67.05506	13.4
69.07070	4.2
70.34537	1.7
70.34971	1.2
71.04997	1.1
79.05494	6.5
81.07061	14.7
83.04997	0.9
83.08633	3.4
85.06535	1.6
91.05481	15.3
93.07054	6.3
95.04960	1.1
95.08614	11.7
97.06537	2.0
99.08126	0.7
105.07038	10.3
107.08577	4.3
109.06512	1.2
109.10156	4.0
111.08063	1.2
115.05497	3.2
116.06262	1.8
117.07023	33.4
119.08578	10.3
121.10139	4.1
123.08027	1.2
128.06244	3.6
129.07002	17.7
130.07787	3.9
131.08569	59.1
133.06517	1.7
133.10146	7.5
133.68260	0.6
135.08044	1.9
135.11674	1.1
137.09581	1.4
138.98776	0.7
141.06969	6.1
142.07794	3.2
143.08560	16.5
144.09355	2.0
145.06500	1.6
145.10123	69.0
147.08028	2.9
147.11703	3.3
149.09590	1.4
149.13182	0.8
154.07751	1.4
155.08560	9.8
156.09386	1.6
157.10135	27.0
159.08078	3.0
159.11700	38.3
161.09647	2.1
161.13277	1.3
163.11168	1.2
164.74940	0.8
167.08583	1.5
168.09329	2.3
169.10126	13.8
171.11696	23.5
173.09601	2.0
173.13272	19.3
175.11131	3.8
182.10924	1.4
183.11703	13.5
185.13287	5.2
187.11227	3.1
187.14899	1.3
189.12834	1.5
196.12367	0.8
197.13286	17.6
199.14844	2.9
201.12784	2.8
210.14018	1.6
211.14746	5.1
213.16379	3.7
215.14377	0.9
215.17993	1.8
229.19447	4.5
239.17957	31.3
257.19016	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01860	1.1
55.05304	0.6
55.05516	6.4
56.54611	0.5
57.03439	11.4
57.07059	0.9
57.65479	0.6
59.36270	0.6
63.27167	0.5
65.03936	1.2
67.05505	15.8
69.07069	4.1
71.04993	1.1
79.05503	7.7
81.07061	10.5
81.89341	0.6
83.08612	4.1
85.06529	2.3
91.05480	14.9
93.07054	7.7
95.04994	1.0
95.08607	8.8
97.06561	1.2
97.10177	1.3
98.21516	1.4
98.97524	0.7
99.08105	3.7
103.05468	1.4
105.07028	13.5
107.04935	0.7
107.08596	5.7
109.06513	1.6
109.10145	4.2
110.83175	0.5
111.08065	0.8
113.85667	0.5
115.05445	2.1
116.06232	2.0
117.07018	28.7
119.06187	0.6
119.07817	0.8
119.08596	10.4
121.10157	6.5
123.08057	0.8
128.06238	5.8
129.06027	0.9
129.07005	22.8
130.07803	3.2
131.08569	31.9
133.06485	1.8
133.10132	7.2
135.08026	2.0
135.11691	2.5
137.09601	1.1
141.06956	4.6
142.07803	2.7
143.08568	21.7
144.09331	2.2
145.06454	1.2
145.10123	63.3
147.08038	1.4
147.11684	5.4
149.09630	1.3
154.07782	1.2
155.08546	4.2
156.09290	1.1
157.10141	21.1
158.10803	0.7
159.11696	37.6
161.09653	4.2
161.13263	1.6
163.11110	1.4
168.09384	0.9
169.10127	13.0
170.10989	0.7
171.11685	11.7
173.09641	1.6
173.11772	0.9
173.13257	13.6
175.09721	0.5
175.11148	3.2
177.12794	0.9
182.10954	0.7
183.11690	12.8
185.13258	58.5
187.11217	2.7
187.14812	1.2
197.13261	11.1
199.14801	4.4
201.12769	1.3
201.16402	4.3
210.14095	1.3
211.14841	3.1
213.16397	1.2
215.14398	0.7
215.17911	1.3
229.19482	5.1
232.06918	0.6
239.17958	24.8
257.19006	100.0
257.26620	1.7
258.19366	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.73682	0.7
55.01854	0.6
55.05515	8.9
56.96556	0.6
57.03436	3.8
57.07074	0.9
59.04994	0.6
64.90688	0.6
65.03941	0.7
66.95649	0.7
67.05503	19.1
69.07068	4.6
69.84006	1.6
69.84389	1.5
71.04990	1.0
79.05496	6.1
81.07063	12.4
83.04994	0.8
83.08617	2.7
85.06549	1.9
91.05479	11.6
93.07043	4.5
95.08607	7.8
97.06541	2.6
97.10197	0.8
98.97617	1.2
99.08094	2.9
104.85964	0.6
105.07030	11.1
107.08578	4.2
109.06531	0.9
109.10152	4.2
109.30431	0.6
111.08086	1.2
115.05476	2.5
116.06239	1.3
117.07018	25.0
117.38103	0.6
118.06691	0.7
119.08578	5.8
121.10133	1.9
125.09624	1.0
128.06190	4.4
129.07013	12.1
130.07780	4.9
131.08569	33.5
133.06526	1.0
133.10147	5.1
135.11697	1.1
141.07002	4.3
141.07996	0.6
142.07794	2.5
143.08556	21.8
144.09338	1.4
145.10124	100.0
146.10463	0.7
147.08092	1.1
147.11659	3.3
155.08580	6.1
156.09308	1.1
157.10130	18.6
159.11700	35.8
161.09621	2.2
161.13246	2.0
163.11259	0.9
167.03955	0.7
167.08604	0.8
168.09340	1.4
169.10121	12.8
171.11685	18.3
173.09685	0.8
173.13268	16.7
175.11220	2.5
181.10190	0.9
182.10861	1.5
183.11711	13.0
185.13260	21.4
187.11174	2.6
187.14804	1.4
189.12709	1.4
194.21793	0.7
195.11595	0.9
197.13268	11.7
199.14859	3.2
201.12758	1.5
201.16328	1.4
210.14070	1.0
211.14816	3.2
213.16403	1.8
215.14250	1.5
215.18050	1.0
229.19504	3.2
239.17955	27.8
257.19009	86.2
258.19388	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24761	0.7
50.50566	0.6
50.58565	0.5
51.02381	0.7
53.03928	0.8
55.01876	1.3
55.05507	7.0
57.03419	2.5
57.07067	0.9
59.06128	0.7
67.05177	1.3
67.05508	16.8
69.07072	4.6
69.77355	4.2
71.04987	1.1
79.05147	0.8
79.05500	9.8
81.07059	15.3
83.04987	1.2
83.08608	2.5
85.06547	1.5
91.05484	16.6
93.07033	5.6
95.04943	1.3
95.08612	11.8
97.06512	2.5
97.10155	1.0
98.21506	0.9
99.08094	1.8
105.07031	14.6
107.08590	3.5
109.06504	1.1
109.10142	3.2
115.05413	3.5
116.06234	2.5
117.07019	35.5
119.08586	10.9
121.06536	1.3
121.10165	4.4
123.08051	0.7
128.06180	4.6
129.07013	19.3
130.07809	3.4
130.91528	0.7
131.08569	52.9
133.06516	1.8
133.10129	7.2
135.08067	2.0
135.11671	1.5
137.09615	1.1
138.85068	0.7
141.06972	6.5
142.07776	5.2
143.08560	18.3
144.09264	2.1
145.06474	2.1
145.10124	69.1
147.08031	3.4
147.11679	5.2
149.09615	1.7
153.06949	1.1
154.07738	2.3
155.08565	8.4
156.09387	1.0
157.10135	25.0
159.08060	2.1
159.11694	39.3
159.55394	0.7
161.09660	3.7
161.13246	2.1
163.11150	1.4
165.12790	1.3
167.08598	0.9
168.09402	1.6
169.10135	14.5
171.11690	26.0
173.09637	2.0
173.13271	23.6
175.11206	3.8
178.75662	0.8
181.10091	1.2
182.10883	1.4
183.11705	15.5
185.13254	9.1
187.11194	3.1
187.14816	2.3
189.12759	1.9
195.11572	0.9
196.12473	0.9
197.13266	16.9
199.14833	2.0
201.12785	2.4
201.16377	1.1
210.14075	1.7
211.14799	4.8
213.16319	5.0
215.06882	0.8
215.14349	2.4
215.18002	1.5
229.15834	1.0
229.19456	4.0
239.17960	36.2
257.19012	100.0
258.19403	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01867	0.6
55.05513	9.5
56.96576	0.9
57.03435	1.5
57.07074	0.8
59.05001	0.6
65.03928	1.1
65.47804	0.4
65.88274	0.4
67.05507	20.9
69.07068	2.4
70.80212	0.9
71.04991	1.0
71.19664	0.3
79.05493	4.3
79.13091	0.3
80.56610	0.3
81.07056	7.2
83.04970	0.4
83.08620	2.5
85.06533	0.9
90.57176	0.4
91.05479	7.0
93.07053	1.6
94.31773	0.3
95.04970	0.6
95.08610	4.0
97.06525	1.0
97.10195	0.8
98.97597	0.7
103.05459	0.6
105.07030	8.6
107.08602	2.6
109.06533	0.3
109.10168	5.3
111.08100	0.5
112.20070	0.3
115.05481	1.2
116.06232	0.9
117.07031	9.9
119.08599	3.1
121.10178	1.6
122.39116	0.3
123.08117	0.5
125.09637	1.1
128.06229	5.0
129.07005	6.4
130.07779	3.8
131.08575	23.0
133.06531	0.6
133.10149	3.3
135.08038	0.7
135.11717	0.5
141.06996	2.7
142.07771	1.5
143.08562	21.4
144.09338	0.5
145.10126	100.0
145.28725	0.3
146.10533	0.5
147.08084	0.7
147.11682	2.3
148.22235	0.3
149.09622	0.4
153.06946	0.4
154.07753	0.4
155.08545	3.4
156.09346	0.9
157.10123	6.6
159.07996	0.4
159.11694	7.7
161.09644	1.5
161.13336	0.6
168.09296	0.8
169.10135	5.6
170.10793	0.4
171.11696	15.3
173.09639	0.9
173.13234	3.5
175.11234	1.2
182.10924	0.6
183.11699	10.7
185.13258	2.9
187.11169	1.1
187.14870	0.4
193.12286	0.6
197.13237	7.9
199.14833	0.8
201.12791	0.5
201.41689	0.4
211.14783	1.4
213.16423	0.8
215.14319	0.8
229.19461	1.6
239.17958	12.4
243.08954	0.8
257.19012	50.9
257.30295	2.4
258.19449	0.4
274.97470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
54.43833	0.7
55.05268	0.7
55.05509	7.3
57.03417	2.3
57.07063	1.1
65.03925	0.9
67.05509	14.6
69.07076	4.3
71.05001	1.0
79.05487	8.2
81.06654	0.9
81.07062	13.6
81.24095	0.7
82.05540	0.6
83.04990	0.7
83.08600	3.2
85.06535	1.5
91.05481	13.7
93.07048	6.3
95.04946	1.8
95.08606	10.3
97.06512	2.1
97.10188	0.8
98.20687	1.5
99.08099	1.1
105.07037	10.7
107.08615	4.3
109.06517	1.3
109.10188	4.0
111.08041	1.2
115.05452	2.1
116.06228	2.3
117.07018	31.3
119.08578	11.7
121.10152	4.5
123.08046	1.5
125.09632	0.9
128.06204	2.8
129.07014	14.2
130.07774	2.5
131.08566	53.9
133.06497	1.7
133.10143	9.4
135.08022	2.9
135.11650	2.3
137.09598	1.5
141.06941	4.8
142.07748	3.2
143.08560	16.0
144.09334	1.2
144.74966	0.7
145.06429	1.1
145.10123	64.3
147.08032	1.9
147.11667	4.3
149.09593	2.1
153.06926	1.0
154.07687	1.4
155.08548	7.5
156.09390	1.1
157.10133	23.2
159.08044	1.7
159.11690	33.0
161.09602	3.2
161.13249	2.0
163.11159	1.9
168.09378	2.1
169.10144	13.1
171.11690	20.7
173.09644	3.1
173.11795	0.9
173.13257	14.6
175.11198	4.0
175.14709	0.7
177.12840	1.2
182.10907	1.2
183.11711	13.8
184.12430	0.7
185.13286	6.1
187.11148	3.3
187.14809	2.8
189.12708	1.3
195.11552	0.9
197.13278	12.1
199.14865	4.8
201.12744	3.0
201.16383	1.5
210.14021	1.4
211.14789	5.0
213.16347	3.0
213.47855	0.8
215.14377	1.5
215.17949	2.8
219.79163	0.9
224.15562	0.8
225.45125	0.8
229.19456	3.7
239.17932	30.6
257.19000	100.0
258.19284	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53621	0.6
50.85600	0.6
53.03955	0.9
55.01867	0.8
55.05514	5.9
57.03425	1.7
57.07076	1.1
57.99157	0.7
67.05183	0.8
67.05511	15.8
69.07077	4.9
70.21008	2.4
71.04985	1.8
79.05495	7.5
81.07062	13.9
83.04985	1.5
83.08599	2.3
85.06533	1.7
91.05486	14.0
93.07044	7.6
95.04990	1.0
95.08604	11.0
97.06527	2.3
97.10156	1.0
105.07037	12.6
107.04906	0.9
107.08593	5.9
109.06526	2.1
109.10156	5.8
111.08053	0.8
115.05471	3.5
116.06226	2.0
117.07016	27.7
119.08587	10.9
121.06496	1.5
121.10149	6.9
123.08075	1.3
125.09651	0.8
126.41290	0.7
128.06221	4.3
129.06999	16.0
130.07791	3.1
131.08577	43.8
133.06487	1.7
133.10132	10.0
135.08051	2.9
135.11684	2.6
137.09631	1.9
141.06993	5.0
142.07770	3.6
143.08569	16.7
144.09340	0.9
145.06467	1.6
145.10127	67.7
147.08052	1.9
147.11662	4.9
149.09622	2.1
154.07802	2.0
155.08543	7.2
156.09341	2.1
157.10133	24.6
158.10884	1.0
159.08054	2.7
159.11699	35.6
161.09628	4.1
161.10770	0.8
161.13269	2.2
163.11223	1.8
167.08527	1.5
168.09331	2.2
169.10144	12.6
171.11694	21.9
173.09589	3.0
173.13264	17.6
173.14693	1.3
175.11182	5.6
175.14806	1.5
177.12865	0.9
181.10152	1.3
182.10915	1.4
183.10078	1.0
183.11696	19.2
185.13260	8.3
187.11192	2.4
187.14787	1.9
188.11873	0.8
189.12791	2.1
196.12502	1.3
197.13266	12.4
199.14822	6.4
201.12752	3.2
201.16452	0.9
209.13365	0.8
211.14882	4.0
213.16295	4.3
215.14372	2.3
215.17981	2.5
229.19522	3.7
232.46101	0.8
239.17961	34.7
257.19019	100.0
258.19431	1.0
270.30701	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05505	4.9
67.05508	10.4
69.07054	4.1
69.74317	6.2
69.74678	2.1
71.04971	4.3
79.05501	8.5
81.07062	7.7
85.06540	1.7
91.05487	12.4
93.07058	16.3
95.04942	3.3
95.08609	8.9
97.06533	1.2
103.05454	1.4
105.07032	23.7
107.08609	12.8
109.06520	5.3
109.10171	11.4
111.08083	3.0
115.05451	1.7
117.07008	9.4
119.08588	22.7
121.10150	76.1
122.84028	1.2
123.08078	3.6
123.11716	1.4
125.09680	1.2
128.06230	2.8
129.07050	6.5
130.07826	1.5
131.08578	19.8
133.07594	1.4
133.10136	9.2
135.08069	25.9
135.11719	1.9
137.09634	7.2
141.06950	2.9
142.07765	3.2
143.08559	18.0
145.10124	25.0
147.11687	3.4
149.09665	5.6
151.11111	1.8
155.08591	5.0
156.09389	2.0
157.10133	18.7
159.11699	15.0
161.09676	1.6
163.11179	2.7
169.10130	8.3
170.11008	1.4
171.11678	11.4
173.13255	15.3
175.11206	1.8
177.12790	1.4
182.10889	2.2
183.11690	10.2
184.12408	2.0
187.11235	3.1
187.14813	2.5
189.12759	1.4
196.12505	1.3
197.13255	8.6
199.14832	26.5
201.12761	4.3
211.14705	1.8
213.16348	10.5
215.14355	1.4
215.18005	3.7
239.17941	18.4
257.19019	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
51.49648	0.5
53.03940	0.9
55.01860	1.5
55.05519	3.9
57.03446	0.6
57.07054	1.8
58.74652	0.6
59.04996	0.7
67.05506	6.5
69.03390	0.7
69.07068	3.8
70.16370	2.4
71.05003	4.5
79.05494	7.8
81.07062	6.1
83.04966	0.8
83.08611	2.3
85.06564	3.0
91.05478	7.6
93.07043	18.6
95.04961	5.0
95.08049	1.1
95.08604	10.8
97.06514	1.0
99.08109	1.2
103.05457	1.5
105.07029	24.4
106.07796	0.6
107.08596	16.4
109.05879	0.8
109.06527	7.6
109.10163	10.0
111.08057	2.6
115.05425	1.1
117.07014	5.4
119.06140	0.8
119.08580	20.8
120.05673	0.9
121.06504	1.6
121.10143	77.5
123.08065	3.8
123.11693	1.9
125.09576	0.7
128.06212	2.2
129.06992	4.2
130.07774	1.5
131.08574	12.3
133.06648	0.8
133.07599	2.2
133.10130	10.9
135.08057	27.4
135.11713	3.3
136.08717	0.6
137.09619	7.4
141.06990	1.5
142.07780	4.6
143.08556	17.2
144.09322	2.3
145.10123	15.9
147.08017	1.5
147.11720	3.5
147.41464	0.5
149.09628	4.6
151.11188	2.3
153.06941	0.7
155.08493	2.9
156.09361	3.1
157.10127	20.6
158.10912	2.8
159.08014	1.4
159.11694	15.2
161.09608	2.5
161.13277	1.7
163.11205	4.3
168.09357	1.5
169.10141	9.3
170.10889	2.0
171.10277	0.7
171.11699	10.7
173.09618	2.1
173.13258	21.3
174.14006	1.3
175.11198	2.1
175.14801	1.8
177.12721	2.2
182.10973	1.4
183.11687	8.8
184.12466	2.6
185.13223	2.6
187.11192	4.7
187.14824	3.8
189.12712	2.6
195.11674	1.5
197.13235	7.4
199.14832	36.1
201.12758	7.1
209.13313	1.2
210.14061	0.9
211.14828	1.6
213.16402	10.5
214.17146	2.5
215.14449	3.0
215.17943	6.3
224.15585	1.9
239.17932	12.5
257.19009	100.0
258.19409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.52699	0.3
51.02380	0.4
53.03942	0.8
55.01870	1.7
55.05510	7.1
56.96552	1.0
57.03420	1.2
57.07066	1.0
58.14426	0.3
60.75513	0.3
65.03925	0.7
67.05505	11.7
68.78162	0.3
69.03425	0.6
69.06720	0.5
69.07069	5.2
71.04992	0.6
71.42121	0.5
79.05495	9.1
81.03393	0.6
81.07057	9.3
83.04982	1.8
83.08616	2.3
91.05479	13.5
93.07046	10.0
95.04974	2.7
95.08604	7.4
97.06516	1.7
97.10154	1.4
98.97574	2.6
99.08097	0.3
103.05473	0.8
105.07030	14.5
107.04271	0.5
107.04953	4.2
107.08595	7.2
109.05878	0.3
109.06532	3.0
109.10156	3.6
111.08044	0.7
115.05421	1.9
116.06216	1.2
116.98622	1.1
117.07015	10.7
119.04919	0.5
119.08575	9.1
121.06485	2.6
121.10136	5.4
123.08051	1.3
123.11703	0.7
125.09608	0.3
125.74266	0.3
128.06218	1.8
129.06999	6.2
130.07797	2.1
131.04907	1.2
131.08568	25.0
132.05661	0.4
133.06499	7.2
133.10129	6.9
135.08057	3.2
135.11655	1.6
137.09631	0.8
141.06995	2.9
142.07777	2.1
143.08559	7.7
144.05702	1.2
144.09311	1.0
145.06479	7.2
145.10121	23.1
146.07231	0.9
147.08049	8.0
147.11688	4.0
149.09625	1.5
149.13234	0.7
153.06931	0.4
154.07733	0.6
155.06064	0.8
155.08554	4.9
156.09386	0.7
157.10121	8.0
158.07265	1.7
158.10883	0.4
159.08066	7.7
159.11685	9.6
160.08762	0.4
161.09615	10.0
161.10947	0.7
161.13203	1.6
163.11208	2.2
167.08640	0.4
168.09320	0.6
169.10126	4.2
171.08058	0.4
171.11685	5.9
172.08813	0.5
173.09619	11.9
173.11897	0.6
173.13240	4.9
175.11189	5.5
175.14861	0.9
177.12712	1.1
181.10101	0.5
182.10925	0.6
183.11700	5.0
185.13269	2.2
187.11197	6.7
187.14839	1.3
189.12732	2.4
191.14305	0.4
195.11676	0.6
197.13257	4.2
198.13934	0.3
199.11154	0.4
199.14822	2.0
201.12759	4.6
201.16391	0.3
210.14061	0.4
211.14796	1.4
213.16391	1.5
215.14348	3.1
215.17807	1.4
229.09169	0.4
229.16013	0.8
229.19499	4.9
239.17944	10.0
257.19000	100.0
258.19434	0.7
274.97519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98655	0.4
56.96294	0.5
56.96564	8.9
68.88618	0.3
70.48450	0.7
71.95267	3.2
72.08150	0.6
82.09419	0.3
85.02907	0.4
98.97584	100.0
107.84115	0.3
116.98623	32.9
130.93311	1.0
133.47331	0.3
134.99646	5.5
140.00140	0.6
147.93214	0.3
172.94360	5.4
190.95418	2.2
202.11766	0.3
204.82065	0.3
214.95389	3.0
230.98419	0.3
232.96472	4.3
250.97495	1.4
256.96445	13.2
257.14972	0.4
274.97501	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01892	0.9
55.05509	14.5
55.05757	1.2
56.96562	1.0
57.03436	14.2
57.07074	2.5
59.04993	5.3
65.03936	1.4
66.26900	0.7
67.05502	100.0
69.07064	5.4
70.06591	0.7
70.49715	1.4
71.05000	2.5
71.82911	0.5
79.05487	5.7
81.07053	19.7
81.07526	1.2
83.04993	0.8
83.08612	6.6
85.06550	2.9
86.92054	0.6
88.07628	1.3
91.05476	12.3
93.07042	5.9
95.04957	1.5
95.08607	9.5
97.06517	1.4
97.10177	1.9
98.97593	2.5
99.08091	2.5
102.09165	1.1
105.07034	7.8
107.08591	4.4
109.06509	1.5
109.10153	74.7
111.08081	3.7
115.05437	1.0
116.06211	1.0
116.98617	1.8
117.07016	13.0
119.08579	10.5
121.10139	2.4
123.11725	0.6
125.09636	1.2
128.06247	2.4
129.07004	9.9
130.07756	1.8
131.08562	15.0
133.10153	3.0
135.08011	1.0
137.09601	3.5
141.07013	2.9
142.07784	1.3
143.08546	9.6
144.09375	1.6
145.06450	0.9
145.10118	29.6
147.11694	3.1
149.09634	0.8
154.07761	0.8
155.08575	3.0
155.10651	5.8
156.09294	0.8
157.10141	9.3
159.11678	17.0
161.09645	0.8
161.13254	0.7
163.11163	0.7
169.10123	5.4
171.11700	5.8
173.09624	1.2
173.11749	20.1
173.13277	6.5
175.11195	1.0
181.10094	0.6
183.11688	6.1
185.13249	24.9
187.11067	1.2
197.13206	5.0
199.14879	1.7
200.15601	0.6
201.16405	2.3
211.14816	1.9
213.16452	1.2
229.19496	3.3
239.17938	12.4
257.13831	64.5
257.18982	46.6
257.26614	9.6
258.27921	1.0
274.97614	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	5.2
55.01836	6.5
55.05514	28.9
56.96568	47.4
57.03439	48.8
57.07049	5.9
59.04999	1.8
63.62892	1.8
65.03906	2.3
67.05506	88.6
67.05859	2.8
69.03394	2.8
69.07069	29.1
71.01316	6.1
71.04956	7.7
71.56808	3.0
72.08126	3.0
79.05497	70.7
81.03417	9.2
81.07063	48.3
83.04985	20.4
83.08617	11.7
84.96014	2.7
85.02871	4.0
85.06529	9.1
91.05484	34.2
93.07050	80.3
95.04976	8.7
95.08604	24.5
97.02872	2.4
97.06533	33.0
97.10170	13.2
98.97517	6.4
98.98470	13.3
99.04399	6.0
99.08056	5.0
100.99181	11.1
103.05488	1.8
105.07019	12.5
107.04916	4.5
107.08595	59.2
109.06448	7.2
109.10156	14.8
110.97564	8.4
111.08038	4.7
111.11641	2.5
111.38921	1.6
113.02048	1.9
113.05979	2.7
116.98642	1.7
117.07003	10.2
119.00130	3.0
119.08585	18.3
121.06420	7.1
121.10149	20.5
123.11739	9.1
125.05852	2.9
125.09557	6.6
126.97003	4.6
127.03808	2.3
127.07487	2.6
128.98595	10.3
129.06929	3.0
130.07695	2.2
131.08510	4.9
133.10054	8.1
135.08023	4.4
135.11697	100.0
137.09543	5.7
139.07474	2.2
141.06952	2.3
143.08476	5.5
144.98021	8.1
145.10139	21.2
146.99579	7.5
149.13213	2.8
153.12648	4.6
155.08487	2.0
157.10094	3.4
158.99554	1.8
159.11588	6.1
161.13177	3.6
162.99069	4.2
163.11177	18.9
165.00642	5.7
169.10039	2.6
171.02147	2.3
171.11670	4.0
172.97469	5.6
175.14818	2.9
177.12692	2.6
177.16277	5.9
178.12955	3.4
181.09898	2.2
181.12236	20.6
182.10855	3.2
187.11090	5.9
190.98665	21.4
197.13174	3.9
201.16231	2.3
205.12024	2.3
208.99716	33.1
210.14081	2.0
211.14743	2.6
212.15514	2.0
214.00102	6.7
219.17514	4.0
223.13115	6.1
227.00609	4.8
227.14383	2.1
232.01140	6.4
234.02313	2.6
237.16440	4.0
237.18401	7.7
242.47325	1.9
255.15750	70.9
255.21178	3.2
267.07687	3.1
275.05972	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Russulanorol
Peak:m/z	Relative Intensity
50.34934	1.2
51.02368	1.8
53.03928	3.1
55.01844	2.4
55.05512	22.8
56.96532	1.3
57.03436	44.2
57.07058	3.2
67.05505	75.7
69.03408	2.1
69.07071	20.3
71.01325	3.7
71.04992	6.5
77.22650	1.1
79.05496	64.8
81.03410	10.8
81.07059	31.4
83.04569	1.5
83.04985	21.5
83.08620	7.7
83.69522	1.3
85.02875	1.4
85.06519	5.1
91.05481	24.5
91.62160	1.2
93.07043	73.9
95.04978	6.6
95.08598	11.3
97.06010	1.5
97.06529	19.2
97.09644	1.3
97.10168	15.5
98.98437	3.1
99.08070	5.5
105.04446	1.5
105.07002	6.2
107.04958	3.1
107.07877	2.5
107.08591	49.3
109.06486	2.4
109.10143	6.6
111.08062	3.7
117.06972	5.2
119.08562	9.0
121.06477	2.9
121.10145	11.1
125.09547	3.7
128.57451	1.3
133.10091	5.9
135.11691	100.0
137.09546	3.9
143.08571	1.4
145.10120	14.9
153.12668	3.0
163.10040	1.6
163.11195	16.2
165.12779	1.2
181.12227	20.3
199.13252	1.8
223.13049	1.3
255.15851	77.9
268.82202	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Russulanorol
Peak:m/z	Relative Intensity
50.10361	0.9
51.55788	0.9
53.03925	3.5
55.01854	3.5
55.05511	20.7
56.96566	17.0
57.03440	37.4
57.03701	1.3
57.07056	3.6
65.03939	1.3
67.05505	66.0
69.03410	2.8
69.07069	20.7
71.01360	5.7
71.04988	8.3
71.08621	0.9
71.56502	1.7
73.02880	1.5
75.67420	1.0
79.05496	57.0
81.03419	7.4
81.06601	1.8
81.07055	31.7
83.04981	17.9
83.08624	6.6
84.96053	1.2
85.02879	2.6
85.06544	6.4
91.05483	21.4
93.07045	65.6
95.04984	6.3
95.08608	13.9
97.06531	20.3
97.10175	17.3
98.97547	2.5
98.98456	7.2
99.04457	2.2
99.08066	3.3
100.99156	6.1
101.06033	0.9
105.07056	7.6
107.04935	2.5
107.08596	45.8
109.06510	2.2
109.09605	0.9
109.10162	10.4
110.97541	2.1
111.04429	1.3
111.08065	3.2
111.11713	1.7
116.98624	1.0
117.06993	6.2
119.00172	1.0
119.08585	9.0
121.06485	3.0
121.10149	11.6
123.08040	1.4
123.11748	1.0
124.03689	0.9
125.06012	1.5
125.09623	5.6
128.98567	3.3
130.07822	2.3
131.08485	1.9
133.10118	6.1
134.99500	1.3
135.08022	2.5
135.11694	100.0
137.09615	3.0
143.08562	1.8
144.98085	2.2
145.09042	1.4
145.10124	16.3
146.99580	1.5
147.11630	1.9
149.13289	1.1
151.11150	2.1
153.00497	1.7
153.12711	4.0
157.10072	1.3
158.03229	1.2
158.53339	1.0
159.11644	1.9
162.99185	1.7
163.11169	16.6
165.00766	1.6
172.97552	1.8
181.12233	23.2
190.98637	9.6
193.12109	1.1
195.01292	1.0
195.11765	1.0
199.13254	2.2
208.99690	12.4
214.00258	1.8
223.13367	1.0
232.01215	1.6
232.59779	1.3
237.14716	1.7
237.18463	1.2
255.06541	1.8
255.15874	64.2
255.20386	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85019	0.9
53.03933	3.6
55.01855	3.9
55.02077	1.0
55.05514	31.9
56.05828	1.2
56.96568	16.4
57.03441	48.8
57.07091	4.6
57.07312	0.9
59.04984	1.8
61.02901	1.3
65.03918	2.6
67.05510	70.3
67.75785	0.9
69.03414	4.1
69.07073	32.9
69.49959	2.9
69.50373	4.4
70.07377	1.5
71.01360	5.9
71.04992	9.9
71.08612	2.4
72.08156	4.8
73.02905	2.4
79.05498	63.0
81.03420	9.2
81.06593	2.1
81.07062	39.8
83.04985	18.5
83.08232	1.1
83.08631	13.6
84.08931	2.4
84.96004	2.1
85.02907	4.9
85.06553	7.1
86.00212	1.3
91.04900	1.4
91.05482	25.6
93.07050	75.1
95.04987	7.9
95.08609	16.6
97.02877	4.4
97.06539	21.1
97.10172	19.2
98.03262	1.2
98.21502	1.2
98.97594	21.1
98.98470	8.5
99.04428	2.6
99.08085	4.5
99.97913	1.2
100.99103	3.1
105.04514	1.4
105.07032	9.3
107.04938	2.8
107.08602	51.7
109.06516	3.4
109.09605	1.1
109.10173	12.2
110.97555	6.5
111.08074	4.4
115.05420	1.2
116.98634	5.6
117.07020	7.3
119.00117	1.5
119.08595	11.7
121.06478	3.2
121.10138	13.6
123.08081	1.3
123.11683	2.6
125.05951	2.4
125.09673	4.6
128.02289	1.4
128.06192	1.0
128.98647	5.0
129.06998	1.8
130.07742	1.7
131.08522	1.6
133.10164	7.2
135.08026	3.3
135.11700	100.0
137.09599	3.5
139.07523	2.1
140.02243	1.1
143.08580	2.3
144.98055	1.8
145.10141	17.3
146.52405	1.7
146.99612	3.6
147.11681	2.2
149.13171	1.2
151.11115	1.4
153.12787	4.8
154.66301	1.0
157.10109	2.4
158.99635	7.7
159.11708	2.3
160.00009	1.6
161.13254	1.6
162.99167	1.8
163.11224	13.7
165.00687	2.0
165.12796	1.0
170.99675	2.3
171.11684	2.3
176.03395	8.3
176.53578	8.6
177.00697	5.7
177.03481	2.3
177.12747	1.1
181.10526	1.2
181.12244	24.6
185.03857	2.4
185.09651	1.5
185.54007	3.1
188.59010	1.1
189.00722	2.5
190.98691	7.6
197.04771	2.7
197.09366	2.0
197.13229	2.1
197.59514	3.8
199.13281	2.1
201.16336	1.7
205.12300	1.2
206.60002	1.5
208.99707	12.7
209.10277	1.3
213.16412	2.3
214.00273	1.5
219.01768	1.9
219.17480	2.3
219.20978	1.4
223.13113	1.4
227.00652	1.1
229.42941	1.0
232.01262	1.5
237.02753	1.2
237.18494	2.4
249.02806	2.8
254.58553	1.2
254.61130	17.8
255.06468	2.6
255.11226	8.4
255.15869	65.6
255.21384	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1593
Annotation	Gliocladic acid
Peak:m/z	Relative Intensity
50.29554	1.2
53.03934	4.3
55.01882	5.8
55.02078	1.1
55.05276	1.8
55.05511	27.1
56.96569	28.5
57.03441	42.3
57.07054	5.0
58.21403	1.2
59.04983	1.8
61.02918	2.6
65.03930	2.7
65.83106	1.1
67.05508	72.8
69.03431	6.8
69.07075	34.0
71.01333	5.3
71.05000	14.1
71.49839	1.1
71.56343	1.5
73.02899	2.7
73.06567	1.2
79.05498	62.4
81.03417	9.5
81.07062	45.8
83.04553	1.7
83.04986	17.9
83.08619	8.8
84.95993	1.9
85.02898	7.1
85.06551	15.8
87.04469	1.9
91.05486	30.7
93.07050	79.4
95.04978	8.2
95.08073	1.4
95.08615	20.2
97.02858	4.7
97.06541	24.5
97.09641	1.5
97.10179	18.8
98.97556	30.8
98.98429	12.5
99.04416	2.7
99.08070	4.2
100.99142	6.7
101.02301	1.3
103.05357	1.2
105.07042	15.1
107.04921	5.0
107.08603	51.2
109.02821	1.7
109.06470	4.0
109.10159	14.0
110.97570	6.2
111.04396	4.3
111.08069	3.6
111.11667	3.1
113.09643	1.7
116.98635	10.4
117.07018	11.8
119.00175	1.3
119.01873	1.2
119.08601	17.3
121.06452	5.2
121.10152	20.1
123.04317	1.3
123.05547	2.6
123.08032	3.6
123.11672	4.1
125.05991	2.1
125.09644	7.6
126.97011	1.8
127.03910	1.4
128.02301	2.1
128.98566	5.0
129.05447	1.7
129.06970	3.5
131.08603	6.7
133.10136	13.5
133.15970	1.3
134.99701	1.4
135.08099	7.4
135.11697	100.0
137.05960	2.4
137.09586	5.4
139.07480	1.7
139.11163	1.8
141.30272	1.3
143.00099	1.6
143.01926	1.5
143.08507	3.3
144.98192	2.3
145.09047	2.2
145.10127	24.0
146.99634	3.0
147.11632	4.3
149.09622	3.4
149.13199	2.2
151.11136	3.7
153.09058	4.2
153.12708	4.8
155.08553	1.7
157.10094	4.3
158.99681	11.6
159.07991	3.5
159.11646	4.4
161.09650	1.9
161.13229	1.9
162.99068	2.4
163.11191	20.0
165.00702	2.7
165.12759	1.4
167.07060	1.9
169.10138	1.4
170.01253	1.5
171.11597	2.7
172.97548	1.8
173.09624	2.6
173.13211	3.3
177.00691	7.2
177.09082	7.2
177.12752	3.4
179.10616	2.1
181.10094	1.4
181.10417	1.5
181.12262	21.0
183.01804	1.5
183.08554	1.3
183.11591	2.1
189.16338	2.0
190.98630	7.2
191.14293	3.0
195.06161	1.4
199.11214	1.9
199.13156	1.8
201.12735	2.4
204.09084	1.6
205.08432	1.5
208.99677	18.2
211.14835	2.3
213.11124	1.4
214.00244	2.7
219.01640	3.0
219.13837	5.8
219.17403	2.9
226.08580	1.9
232.01309	2.0
233.15192	1.4
235.09137	2.8
237.11166	1.7
237.14697	5.2
237.18416	3.5
255.15828	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	255.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01863	4.7
55.05514	28.8
56.96548	5.9
57.03156	3.1
57.03436	52.0
57.07073	5.3
58.71164	1.6
65.03944	1.9
67.05505	81.9
69.03413	2.8
69.06730	2.0
69.07069	25.6
69.79002	8.1
71.01340	6.4
71.04988	8.0
71.21706	1.5
74.22395	1.7
77.86389	2.0
79.05494	70.7
81.03416	11.7
81.07059	45.6
83.04989	25.4
83.08635	9.0
85.02889	4.8
85.06528	7.0
91.05479	36.5
93.07043	85.3
95.04971	10.3
95.08597	17.7
97.06534	22.2
97.10157	15.7
98.21153	5.5
98.98472	14.2
99.08064	4.0
103.03906	1.7
105.04515	2.4
105.07032	14.6
107.04943	5.3
107.08596	49.5
108.09855	1.7
109.06509	7.3
109.10146	8.5
111.08095	4.7
113.06046	3.7
117.07032	12.5
119.08569	14.3
121.06471	6.2
121.10152	14.3
125.09596	5.2
128.06233	7.9
129.07013	11.8
130.07780	3.3
131.08582	10.6
133.10130	13.7
135.08025	3.0
135.11694	99.0
137.09622	2.2
141.06976	8.9
142.07758	4.7
143.08560	28.0
143.78305	1.7
145.06413	2.2
145.10127	25.3
147.08089	1.9
147.11682	1.7
153.06935	2.0
153.12723	2.5
154.07782	2.1
155.07433	2.3
155.08536	11.2
157.06546	3.0
157.10149	14.8
159.08047	4.2
159.11685	7.3
161.09627	2.5
163.11208	16.3
165.06966	2.3
166.07811	2.8
167.08548	5.3
168.09235	1.9
169.10182	11.6
171.08060	2.6
171.11693	7.0
173.09647	4.6
175.11105	2.0
177.12683	2.4
180.09274	1.7
181.10152	10.3
181.12198	16.5
183.11674	15.9
185.09639	9.5
185.13268	4.1
187.11165	6.9
190.98703	2.0
195.10175	1.9
195.11661	10.8
197.13200	2.9
199.11147	5.6
199.14835	5.7
201.12833	2.2
208.12427	3.0
209.13242	4.2
211.07596	3.1
211.14862	2.8
213.12762	4.6
218.79970	1.9
223.13274	6.8
227.14265	2.8
227.17928	4.1
237.16516	14.9
255.10226	2.2
255.15552	41.6
255.17444	100.0
256.26337	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	255.1591
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03950	2.7
55.01883	3.2
55.05511	26.3
56.30974	0.6
57.03438	47.1
57.07084	5.0
65.03933	1.9
66.22664	0.7
67.05505	75.6
69.03428	1.5
69.07070	23.6
69.58276	4.3
71.01359	5.9
71.04995	8.0
79.05494	70.7
79.21825	0.7
79.80075	0.8
81.03426	8.7
81.07057	38.0
83.04980	23.1
83.08619	6.1
85.02917	1.4
85.06544	6.4
85.71136	0.6
91.04905	1.4
91.05481	29.6
93.07044	77.6
95.04961	7.3
95.08605	10.2
97.06532	20.3
97.10174	14.4
98.98469	1.8
99.04459	1.6
99.08106	3.3
105.04522	1.1
105.07027	7.9
107.04940	2.0
107.08595	51.6
109.06530	2.2
109.10160	9.4
111.08080	3.9
113.06046	1.0
117.07018	8.1
119.07797	1.1
119.08591	12.2
119.54366	0.6
119.99873	0.6
121.06503	3.5
121.10147	11.7
125.09654	3.8
129.07030	1.6
130.07761	1.8
131.08603	0.9
133.10114	5.8
135.08090	2.7
135.11693	100.0
137.09619	4.0
139.11281	0.6
143.08548	1.9
144.41502	0.6
145.10124	20.6
151.11179	1.1
153.12729	3.8
155.08522	1.0
157.10188	0.7
163.11183	16.9
181.12236	20.1
199.13246	1.2
223.13260	0.8
255.15878	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03925	5.1
55.01848	3.7
55.05264	1.9
55.05510	23.9
56.96544	2.9
57.03437	51.5
57.07062	3.3
65.03926	1.7
67.05505	77.2
69.03413	1.9
69.06735	1.6
69.07070	23.9
69.58157	1.7
69.58499	9.1
71.01334	5.0
71.05004	8.1
76.95860	1.4
77.03933	1.5
79.05495	70.6
81.03411	9.7
81.06587	1.8
81.07055	33.9
83.04980	26.5
83.08600	5.7
85.06544	8.8
91.05476	27.0
93.07044	78.2
95.04976	6.5
95.08601	11.0
97.06022	1.6
97.06541	22.2
97.10164	17.6
98.21591	2.0
98.98454	2.9
99.04430	1.5
99.08087	3.0
105.04478	2.0
105.07030	6.2
107.04939	2.6
107.07890	2.6
107.08595	51.9
109.06502	2.5
109.10147	9.1
111.08060	3.5
111.11683	1.9
117.06982	5.6
119.08565	12.2
121.06507	3.1
121.10139	13.8
125.09605	3.8
130.07658	1.3
130.12302	1.5
133.10095	7.3
135.08031	2.8
135.11690	100.0
137.09563	3.6
145.10124	17.4
151.11217	1.5
153.12708	3.9
159.11652	1.6
163.11182	15.0
181.12245	20.3
190.98676	1.6
197.13205	1.5
200.86792	1.6
211.14735	1.7
237.18613	1.7
237.48820	1.3
248.48625	1.3
255.15863	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79526	1.6
53.03930	3.9
55.01862	3.7
55.05515	26.1
57.03438	45.6
57.03704	1.9
57.07062	4.3
65.03941	1.8
67.05506	83.6
67.15012	1.6
69.03412	1.7
69.07068	23.5
69.80627	7.6
71.01331	4.1
71.04969	7.6
77.03910	1.8
79.05495	70.3
81.03420	11.4
81.07059	31.4
83.04987	24.9
83.08603	5.7
85.06512	5.8
91.05486	30.5
93.07047	87.5
95.04941	6.6
95.08610	10.5
97.06538	22.7
97.10172	16.8
98.98446	2.6
99.08076	3.1
105.07049	8.8
107.04939	2.6
107.08599	46.1
109.06511	1.8
109.10178	8.6
111.08041	4.6
112.05800	2.0
117.07043	10.2
119.08577	12.8
121.06499	1.8
121.10154	9.0
125.09608	5.8
128.06186	1.8
133.10110	5.0
135.11696	100.0
137.09563	3.3
145.10118	18.8
153.12675	2.7
163.11212	14.8
181.11035	1.6
181.12271	18.8
191.10660	1.5
199.13217	2.4
255.15839	90.4
258.13083	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08878	0.2
55.01871	2.0
56.96553	0.7
57.03439	3.6
59.04997	0.2
61.02930	0.4
63.58605	0.2
69.03426	1.9
69.52434	1.4
71.01360	0.9
73.02917	2.2
78.03465	0.9
80.05023	1.9
80.82885	0.2
85.02898	2.6
87.04465	0.3
94.06620	0.2
96.04491	0.6
97.02885	1.0
98.97581	0.9
101.00884	0.3
102.09943	0.2
103.03926	0.4
106.02909	5.7
106.64471	0.2
110.97540	0.4
115.03941	1.3
122.69094	0.2
123.05554	100.0
124.03950	0.2
124.05929	0.3
128.98575	0.3
131.29359	0.2
133.04965	2.7
142.01781	0.3
186.04393	0.6
190.98587	0.2
204.05484	0.3
232.04839	0.3
245.05026	0.3
255.02104	0.3
255.09833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01874	2.1
55.38255	0.2
56.96566	4.2
57.03190	0.3
57.03442	4.2
59.04988	0.5
59.76601	0.2
61.02937	1.4
69.03432	2.7
69.39396	1.7
70.98081	0.2
70.99841	0.3
71.01341	0.9
71.95221	0.2
73.02915	3.1
73.04751	0.5
78.03460	0.8
79.05506	0.2
80.05009	2.1
82.01467	0.2
84.96033	0.7
85.02426	0.5
85.02908	4.6
87.04484	0.6
91.03933	0.6
96.04486	0.6
97.02895	2.5
98.97575	3.2
98.98470	0.8
99.04453	0.8
100.02517	0.2
100.99136	0.7
101.00896	1.0
103.03916	0.4
106.02913	6.3
106.03630	0.4
109.02869	0.4
110.07117	0.2
110.97552	1.6
112.30343	0.2
112.99101	0.3
115.02443	0.3
115.03939	1.8
116.98646	0.9
118.03526	0.2
119.01906	1.1
119.03600	0.2
119.97325	0.9
120.00013	0.2
123.05556	100.0
124.03964	0.5
125.31040	0.2
126.99831	0.3
127.03912	0.9
128.97847	0.5
128.98630	1.7
131.01909	0.8
131.99098	0.2
133.01678	0.3
133.04970	2.8
133.77353	0.2
134.99690	0.3
138.03406	0.3
140.97839	0.9
143.01910	0.4
144.98125	0.5
144.99805	0.7
145.03506	0.6
145.04971	0.7
146.97833	0.5
146.99675	1.3
149.98329	0.6
154.93314	0.4
155.01903	0.6
155.98373	0.7
157.03484	0.5
158.99750	0.2
159.01553	0.3
161.02966	0.5
161.98378	0.4
162.99225	0.3
163.06110	0.3
165.00757	0.5
165.04053	0.3
167.01996	0.4
167.98389	0.4
170.99617	0.8
172.97615	0.5
173.02985	0.9
173.98499	0.2
174.04425	0.4
175.04637	0.3
177.00821	0.5
177.02458	0.6
182.98904	0.9
183.04929	0.3
185.02989	1.0
187.04594	0.5
189.00748	0.8
189.02382	0.3
190.98576	1.5
191.99448	0.8
197.02965	0.5
201.00447	0.2
203.04079	0.3
203.99391	1.1
204.05643	0.3
205.01990	0.4
207.01851	0.5
208.99706	2.2
209.02873	0.3
209.99425	0.7
213.00046	0.5
213.09497	0.3
214.00182	0.3
218.99934	0.4
219.01811	0.3
225.00006	0.5
227.00381	0.3
227.04106	0.8
232.01395	0.4
232.04890	0.3
234.00537	0.5
237.02879	0.8
241.01540	0.3
243.05356	0.7
243.55472	0.8
245.01355	0.3
245.05077	1.4
254.99414	0.7
255.03499	0.6
255.06418	1.4
257.05066	0.3
273.00464	0.5
273.03745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67593	0.3
55.01873	2.1
56.96570	9.4
57.03192	0.5
57.03442	5.8
57.07093	0.4
59.05005	0.7
61.02932	4.3
67.05490	0.4
69.03430	3.0
69.07076	0.4
70.73856	0.3
71.01357	1.4
71.95284	0.4
73.02928	3.6
75.52287	0.3
78.03452	1.1
79.05460	0.4
80.05025	2.7
81.03423	0.7
81.07062	0.7
84.96018	1.0
85.02909	6.6
91.03967	2.1
93.05504	0.7
95.02604	0.4
96.04475	1.0
97.02914	3.2
98.97599	5.1
98.98466	2.9
99.04462	0.8
100.02538	0.5
100.99182	1.9
101.00869	0.7
103.03947	0.5
106.02932	6.3
107.08600	0.4
109.02883	0.8
110.07194	0.8
110.97559	2.9
112.43251	0.3
115.02448	0.4
115.03938	1.7
116.98624	2.1
117.92172	0.3
119.00191	1.0
119.01971	1.8
119.97325	0.7
123.05563	100.0
124.03952	0.4
126.97036	0.5
126.98772	0.5
127.03917	1.9
128.97787	0.8
128.98656	2.8
129.99068	0.4
131.01889	0.8
133.03477	0.8
133.04970	2.8
134.99646	0.7
135.02972	0.4
140.97878	0.5
143.00148	0.5
143.01897	0.8
144.98111	1.5
144.99847	1.1
145.03423	0.6
145.04999	1.8
146.99698	1.9
147.01364	0.4
149.01227	0.4
149.98412	0.9
155.01912	0.5
155.98344	0.6
157.03514	0.6
158.99750	1.7
159.01360	0.4
160.02864	0.4
161.02914	0.5
162.99162	1.5
163.05949	0.6
164.02335	0.5
165.00757	1.6
165.04008	0.5
170.99756	0.9
172.97639	0.8
173.02982	0.7
174.04561	0.8
174.55251	0.7
176.98936	0.7
177.00789	0.5
177.02477	0.5
185.02979	1.3
186.04424	0.7
187.02754	0.5
189.00768	1.4
190.98634	3.6
191.04053	0.5
191.99438	1.5
197.02965	0.5
203.03889	0.6
203.99411	0.8
204.05531	0.6
207.01822	0.7
208.99719	7.4
209.99538	0.5
213.00064	0.8
214.00302	0.6
215.04099	0.4
224.99931	0.5
225.02835	0.4
227.00645	0.9
228.00555	0.5
232.01309	1.1
232.04987	1.0
234.00554	0.6
237.02867	1.5
243.05380	0.8
245.05064	2.1
255.03786	0.6
255.06392	3.4
255.09901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1799
Annotation	Cheimonophyllon C
Peak:m/z	Relative Intensity
50.37791	0.8
55.01869	1.7
55.05515	8.3
56.96557	2.9
57.03417	2.1
57.07059	3.1
67.05180	1.3
67.05509	18.3
69.03433	40.0
69.07067	6.3
69.69149	4.9
71.04999	2.2
73.06541	1.0
74.71777	0.8
79.05498	10.3
81.03416	6.6
81.07063	16.9
83.04975	3.6
83.08640	3.8
85.06552	1.4
91.05482	11.1
93.07047	11.6
95.04977	9.2
95.08607	13.2
95.48426	0.8
97.06547	3.9
97.10159	2.6
98.20673	0.8
98.98472	100.0
99.08090	1.0
105.07042	8.2
107.04923	0.9
107.08598	8.3
109.06490	2.6
109.10165	4.4
111.08067	1.5
116.99519	1.8
117.07001	2.1
119.08595	7.3
121.06502	2.8
121.10118	4.7
123.04350	1.1
123.08060	3.6
123.11670	1.4
125.09612	3.3
129.06960	1.0
131.08549	3.4
133.10132	11.9
135.08029	1.5
135.11691	2.2
137.09601	2.2
141.05428	1.3
143.08572	1.9
145.10146	1.1
147.11685	3.0
149.09608	1.6
149.13243	1.1
151.11171	3.1
157.10115	2.5
159.11665	1.2
161.09673	0.9
161.13245	2.2
174.99197	3.6
175.11162	1.6
175.14795	1.9
176.98941	3.2
179.00363	0.8
183.11594	1.2
185.13245	2.2
189.12680	0.8
189.16333	2.0
193.12314	1.0
197.11685	1.7
197.13312	1.1
203.12759	1.0
207.17322	1.2
211.14653	0.9
211.88254	0.9
217.15866	1.7
221.15378	16.2
229.07553	1.1
230.07808	5.1
235.16940	15.9
253.12079	1.1
253.14320	2.8
253.17809	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	253.1799
Annotation	8,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one
Peak:m/z	Relative Intensity
53.03940	1.1
55.01867	1.7
55.05515	5.2
56.96562	0.6
57.03435	1.9
57.07076	0.8
61.83327	0.5
65.03934	0.8
67.05508	14.7
69.03431	100.0
69.07073	5.1
70.56593	1.0
70.56960	0.9
71.04989	1.7
73.06520	0.4
79.05497	8.5
81.03419	1.7
81.06581	1.1
81.07057	19.8
81.07528	1.0
83.04984	2.0
83.08614	3.3
83.80132	0.5
85.06557	2.1
87.04436	0.6
91.05484	14.2
93.05105	0.4
93.07047	10.5
95.04971	3.7
95.08611	11.2
97.02905	0.5
97.06528	5.9
97.10187	1.7
98.20863	0.6
98.98470	61.9
99.08131	1.1
100.98911	0.7
105.04484	0.5
105.07027	8.9
107.04975	0.7
107.08595	7.4
109.06485	2.8
109.10143	6.7
111.08115	1.6
115.14065	0.5
117.07069	1.2
119.08578	6.1
121.06545	1.9
121.10159	5.7
123.08064	5.3
123.11680	2.5
125.05983	0.7
125.09667	2.1
128.06268	0.7
128.64417	0.6
129.07045	1.4
131.08563	2.8
133.10129	20.6
135.08098	1.2
135.11748	1.7
137.09625	2.9
143.08609	1.2
145.10159	1.7
147.08087	0.7
147.11685	4.7
149.09663	2.1
149.13315	1.9
151.11166	6.4
151.12143	0.5
153.09145	0.5
157.10190	1.8
159.11742	0.7
161.09653	0.8
161.13329	1.6
165.12802	1.4
169.10179	0.7
171.11748	0.6
173.13321	0.8
174.99246	1.7
175.11211	1.5
175.14912	1.6
176.98976	1.9
186.32060	0.6
189.12799	0.7
189.16411	4.8
193.12254	1.0
199.14861	2.6
207.17448	3.0
217.15904	4.1
221.15324	3.5
223.52501	0.5
235.16930	34.2
253.17917	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	253.1798
Annotation	8,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one
Peak:m/z	Relative Intensity
54.82967	0.6
55.01876	1.0
55.05521	4.3
57.03424	1.2
57.07057	0.8
65.87991	0.7
67.05505	13.9
69.03429	100.0
69.07072	3.5
69.80659	2.2
71.04987	1.3
79.05495	8.2
81.07050	15.5
83.04982	2.1
83.08624	2.4
85.06553	1.9
91.05486	14.8
92.53391	0.7
93.07047	9.3
95.04943	1.6
95.08604	9.0
97.06547	5.4
97.10171	1.2
98.20852	0.9
98.98463	14.4
99.08097	0.8
105.07027	7.9
107.08595	7.7
109.06502	3.1
109.10159	5.7
111.04451	0.7
111.08086	1.2
114.07686	0.6
117.07063	0.9
119.08582	5.8
121.06509	2.3
121.10128	4.8
123.08057	4.3
123.11715	1.9
127.89172	0.6
131.08569	2.9
133.10136	18.1
133.11092	1.1
135.08057	1.1
135.11742	1.1
137.09631	2.5
147.11674	4.7
149.09665	3.0
149.13336	1.4
151.11188	5.5
157.10165	2.8
161.13361	0.8
165.12807	1.1
167.14369	0.8
171.11827	1.3
173.13319	1.0
175.11266	2.1
175.14857	1.5
189.16379	4.1
193.12242	1.6
199.14899	2.7
207.17422	3.3
217.15878	4.0
235.16925	33.0
253.18030	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	253.1799
Annotation	8,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one
Peak:m/z	Relative Intensity
51.02375	0.6
53.03951	0.6
55.01873	1.7
55.05508	5.1
56.96578	0.9
57.03431	1.1
57.07069	1.8
65.03946	0.5
67.05506	14.1
69.03431	100.0
69.07072	5.1
70.55933	1.8
71.05008	1.2
77.95502	0.6
79.05495	9.1
81.03423	1.0
81.07055	18.9
83.05008	1.6
83.08616	2.5
83.73219	0.5
85.06548	2.3
87.04484	1.0
90.81599	0.5
91.04913	0.8
91.05479	15.8
93.07047	10.6
95.04960	2.8
95.08604	9.5
97.06525	5.4
97.10175	1.6
98.98469	25.3
99.04457	0.7
99.08109	0.7
105.07023	9.7
107.08595	9.0
109.06530	4.5
109.10147	6.8
110.06670	0.6
111.04440	0.7
111.08118	1.9
114.83881	0.6
116.67070	0.7
117.07049	1.3
119.07793	0.8
119.08586	6.6
121.06554	1.4
121.10148	6.2
123.08083	4.0
123.11724	2.5
125.06033	0.7
125.09596	1.2
129.07018	1.3
131.08611	2.4
133.10133	19.6
135.08092	1.5
135.11722	1.8
137.09668	2.3
139.11240	0.7
141.18175	0.6
143.08585	1.1
145.10114	1.3
147.08073	0.7
147.11693	4.0
149.09673	2.7
149.13295	2.5
151.11189	5.2
157.10120	3.2
159.11751	0.8
161.13251	1.4
165.12808	0.7
171.11678	1.0
173.13316	0.9
174.99277	1.4
175.11229	2.0
176.99046	0.6
189.12869	0.8
189.16389	3.7
193.12334	2.1
199.14836	2.3
207.17474	3.3
217.15863	5.9
221.15533	1.0
235.16937	34.2
253.15891	1.4
253.18002	5.8
253.27328	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1797
Annotation	Bisacurone
Peak:m/z	Relative Intensity
51.83382	0.6
55.01909	1.0
55.05512	3.1
56.96563	4.4
57.06812	1.3
57.07076	31.4
58.99237	0.5
65.91757	0.6
67.05511	4.1
69.03432	3.2
69.07108	2.3
71.05040	2.1
71.56228	1.0
74.41727	0.7
79.05518	2.7
81.03416	3.3
81.07061	4.5
83.05028	2.8
83.08636	0.9
85.06583	0.7
88.48224	0.6
91.05521	2.0
91.13718	0.6
93.07079	2.8
95.04981	9.2
95.05542	0.7
95.08603	3.2
97.02894	20.9
97.06538	1.3
98.98467	51.2
99.04449	5.9
99.08109	0.6
100.98935	1.2
105.07026	3.1
107.07983	0.7
107.08633	2.6
109.06555	2.4
109.10146	2.9
111.08102	1.8
113.06049	2.4
116.99554	0.9
117.07077	0.7
119.08602	2.0
121.06506	0.7
121.10149	0.9
123.04426	13.9
123.08070	1.0
123.11756	0.9
125.06029	3.6
133.10156	2.2
134.73969	0.9
135.08092	0.8
135.11736	0.6
137.09680	2.7
139.07614	0.6
141.05466	41.1
147.11705	1.2
149.94481	0.7
151.11177	7.9
155.08566	0.8
156.09332	0.7
157.06000	0.8
157.10246	0.6
166.06555	0.7
174.99228	2.0
176.98962	1.4
179.10670	19.0
193.12090	0.6
193.15837	0.9
197.11732	100.0
200.09480	1.6
211.11157	0.7
221.15385	1.2
229.07472	0.9
230.07849	1.8
235.16917	1.7
247.08429	0.8
248.08714	0.9
253.13887	1.0
253.15887	1.7
253.17957	20.3
253.21779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03904	0.5
53.03958	0.9
55.05494	1.1
56.96563	3.2
57.03432	2.0
57.07092	0.6
59.05008	2.9
61.02922	2.7
67.05502	1.5
69.03426	6.3
69.07071	1.2
70.06586	1.2
70.23698	1.8
70.98123	0.8
71.04975	1.7
73.02915	1.7
73.06555	100.0
79.05491	0.8
81.03432	2.1
81.07051	1.2
83.08624	0.6
84.04520	1.3
84.08127	1.2
85.02905	24.6
86.09707	0.6
87.04459	1.1
88.99181	0.7
91.03941	0.8
91.05488	0.9
91.07607	5.0
95.05009	0.7
95.08602	0.7
97.02891	7.3
98.97579	3.1
98.98466	35.9
99.04471	1.6
100.98898	0.5
103.03913	0.8
105.07030	0.8
107.08627	0.6
109.02881	1.9
109.05231	0.4
109.06567	0.9
109.10158	0.7
110.97591	0.6
112.07697	0.5
115.03994	0.5
116.98654	1.0
116.99497	1.0
119.04907	0.7
119.08605	0.5
120.08096	1.2
121.10153	0.5
123.04415	0.7
124.07622	1.6
125.26543	0.5
127.03139	0.6
127.03911	3.6
128.98622	1.6
134.06032	1.4
136.07564	0.6
136.52692	0.6
137.05992	0.8
141.05498	0.9
145.04938	2.9
146.06046	0.6
146.99704	1.4
150.05493	0.6
152.07117	1.8
155.04651	0.8
156.77950	0.5
158.99663	0.9
166.96738	0.6
169.21036	0.5
174.99211	1.0
175.11160	0.7
176.98872	0.8
180.26750	0.6
189.00783	0.6
189.16238	0.5
191.03937	0.6
197.11743	1.3
207.11331	0.5
210.99100	0.5
216.09126	0.5
229.00179	0.8
230.00427	0.7
236.09189	0.5
247.01501	0.5
253.08791	0.9
253.12036	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	252.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
56.96568	1.1
57.03432	0.6
59.06551	0.2
67.05496	0.3
69.03432	0.4
69.07066	0.4
69.32092	0.2
69.64892	1.4
74.02443	0.4
79.05499	1.0
80.05826	0.3
81.07060	3.2
84.08141	0.7
85.02878	0.3
88.04009	0.5
91.05481	2.4
93.07052	0.5
94.04048	0.9
97.02873	0.2
97.06544	0.5
98.06080	0.4
98.21487	0.3
98.97586	0.4
98.98470	0.7
99.04468	0.2
105.07043	0.3
109.10158	0.2
116.98602	0.3
119.03557	2.4
130.06528	0.3
134.04498	1.3
136.06190	100.0
137.04654	1.0
137.05934	1.0
138.06293	0.8
146.04086	0.2
149.06010	0.5
150.06277	0.3
168.84969	0.2
176.70346	0.2
185.04880	0.4
189.09084	0.6
190.09378	0.6
203.05887	0.4
205.98874	0.3
206.12617	0.2
211.02646	0.2
216.10706	0.2
229.03819	0.5
234.13521	15.9
235.09650	0.8
235.12337	1.1
247.04787	0.4
252.14565	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1185
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
52.70265	0.4
55.70313	0.4
56.96568	3.2
57.03437	1.4
57.07076	0.9
60.04528	64.2
60.78032	0.5
67.05510	1.3
69.03436	2.6
69.07088	0.6
69.79874	1.7
69.80282	0.8
70.02963	0.8
70.06596	1.1
71.05021	0.4
72.08147	0.4
73.02908	2.2
73.06584	1.0
79.05508	1.3
81.03415	0.8
81.07050	1.1
84.08156	0.6
85.02897	3.1
87.05583	2.6
91.05492	1.6
91.34581	0.5
93.07062	1.4
95.04975	0.6
95.08617	0.7
97.02901	1.9
98.97577	2.5
98.98471	34.9
103.05449	3.8
105.07034	1.4
107.04939	1.5
109.10181	0.6
110.07207	0.5
110.97530	0.7
111.04404	0.5
116.98634	2.0
116.99452	0.8
120.08110	100.0
121.10022	0.5
124.99103	0.4
127.04030	0.5
128.98579	0.8
131.04936	2.2
132.08089	0.8
133.10156	0.5
133.34311	0.5
136.06183	0.8
137.02339	2.0
137.05994	0.7
141.09282	0.4
144.08095	2.5
144.09114	0.5
144.10431	0.5
146.09673	0.7
146.99675	0.6
149.05975	2.5
152.07033	0.5
152.98524	0.6
158.99719	0.7
160.07559	0.5
162.09145	2.8
166.08644	69.5
167.00188	0.7
170.78439	0.4
170.99629	0.8
174.99255	1.0
176.03354	1.2
176.98972	1.0
177.00543	0.5
185.01207	0.8
187.02606	1.0
189.00760	0.5
190.08864	0.6
196.03128	1.0
197.11746	2.3
206.08160	0.7
207.11296	18.1
209.12581	0.5
210.99182	0.6
229.00240	3.7
235.10817	5.4
235.13226	0.8
247.01221	0.7
252.99980	0.9
253.06313	0.7
253.09045	0.9
253.11856	17.8
253.14476	1.1
271.01212	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
51.75246	0.7
53.03934	1.2
55.01867	1.4
55.05514	3.8
56.96552	2.9
57.03435	1.6
57.06880	0.6
57.07080	5.9
59.05005	3.5
67.05506	7.8
67.95401	0.7
69.03425	4.5
69.07082	5.4
69.19741	5.2
69.20161	2.5
71.04993	70.3
79.05491	8.8
79.52388	0.8
80.05806	0.7
80.17601	0.7
81.03411	3.0
81.07056	14.7
83.04987	12.5
83.08608	3.9
85.02903	1.4
85.06522	1.9
91.02431	0.7
91.05474	7.8
93.07038	9.5
95.04965	14.4
95.08597	9.9
97.06529	16.2
98.06856	2.4
98.20750	2.0
98.98468	57.2
99.04454	1.6
105.07026	9.3
107.04942	3.6
107.08600	10.5
109.06516	3.3
109.10161	7.3
111.08064	2.7
113.06000	2.4
113.09614	1.3
116.99483	1.3
117.06996	3.0
118.39587	0.8
119.08584	8.0
121.06474	3.2
121.10146	19.5
123.08057	6.9
123.11720	4.0
125.05998	38.2
131.08585	5.8
133.06445	1.2
133.10150	4.0
135.08035	3.4
135.11688	4.8
137.05966	3.5
137.09610	2.4
138.06299	2.3
139.07513	0.9
141.09178	0.8
143.08545	2.2
145.10129	9.8
147.08005	2.3
147.11708	3.6
148.08757	0.7
149.08546	1.1
149.09622	9.8
149.13199	0.8
151.07545	9.1
151.11183	1.5
153.09073	1.6
155.10648	1.4
157.10091	1.3
158.99612	1.1
159.08032	0.9
159.11710	2.8
161.09642	1.3
161.13164	0.9
163.11179	47.9
165.09093	1.7
167.10664	2.0
173.13286	2.4
174.99220	3.2
175.11153	2.2
177.09111	3.9
177.12726	0.9
180.96429	0.8
181.12242	23.6
187.14830	2.4
189.12715	3.2
191.14293	3.4
193.12292	3.2
195.10164	3.5
197.13258	1.1
203.10628	1.0
205.12053	0.8
205.15935	1.0
207.13774	1.2
215.14339	4.3
233.08058	0.8
233.11778	1.3
233.15338	14.8
233.18924	1.4
234.12076	6.6
251.12698	9.1
251.16425	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
53.03934	2.5
55.01856	2.6
55.05510	10.3
56.96571	3.4
57.03426	1.8
57.07078	9.4
59.04996	10.0
60.57954	1.3
67.05234	1.5
67.05508	15.7
69.03428	10.6
69.07068	11.4
69.45544	3.8
69.45963	7.2
71.04993	66.3
72.33013	1.5
79.05494	15.1
81.03422	3.4
81.07058	15.9
83.04969	13.7
83.08628	10.5
85.06545	11.0
91.05485	18.1
93.07039	17.7
95.04964	19.8
95.08611	19.0
97.02878	1.7
97.06541	21.0
98.06863	2.6
98.97537	2.7
98.98468	44.0
99.04451	2.9
99.08093	1.5
103.05497	1.5
105.07027	18.0
107.04951	5.4
107.07882	1.6
107.08596	21.6
108.14880	1.5
109.06519	10.3
109.10161	14.2
111.08085	8.3
113.05994	9.5
113.09682	1.7
115.07568	2.5
117.07010	6.3
119.08583	42.5
121.06503	5.5
121.10143	36.1
123.08073	14.6
123.11704	8.1
125.05996	22.7
125.09656	1.7
127.07564	1.7
129.06989	2.1
131.08559	12.8
133.06529	2.1
133.10135	10.6
134.05103	1.4
135.08026	5.7
135.11697	10.8
137.05978	3.5
137.09613	50.3
143.08594	1.5
145.10114	26.0
147.08049	75.8
147.11678	18.4
149.09610	18.0
151.07538	7.3
151.11171	6.0
151.14844	2.8
153.09102	4.8
155.10677	5.1
157.10146	4.2
159.08070	3.8
159.11664	2.6
161.09570	2.9
161.13261	2.1
163.11186	63.3
163.14853	3.3
165.09084	4.0
171.10211	1.4
171.11636	3.0
172.12383	1.7
173.09622	3.3
173.13293	8.9
174.99149	1.9
175.11192	20.0
177.09149	3.7
179.14308	20.7
181.12216	16.4
187.14816	9.2
189.12752	3.9
191.14294	12.6
193.12260	8.5
195.10167	4.0
197.13312	2.7
205.15891	7.1
207.13780	7.5
215.14284	17.2
233.04388	1.7
233.15378	64.7
234.11923	1.9
251.12701	11.9
251.16428	100.0
255.93166	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	Deodardione
Peak:m/z	Relative Intensity
53.03940	1.4
55.01854	0.7
55.05512	6.5
56.96564	2.3
57.03432	0.9
57.07074	0.8
59.04987	1.0
67.05498	3.8
69.03415	1.8
69.06727	0.9
69.07071	12.5
69.97546	2.2
70.07404	0.8
71.04987	1.2
79.05496	6.9
81.07059	6.6
83.04984	10.1
83.08611	1.0
85.06527	0.5
91.05482	6.5
92.05797	0.6
93.07047	23.4
95.04974	2.3
95.08617	5.2
97.02877	1.0
97.06534	6.2
98.06857	1.7
98.97574	3.0
98.98467	18.3
104.44736	0.6
105.07023	6.6
106.07821	0.5
107.04961	0.8
107.08601	4.7
109.06534	3.2
109.10148	2.0
110.97573	0.7
111.04445	11.2
111.08065	0.6
111.11729	3.2
116.98579	1.1
117.07004	0.7
118.44599	0.5
119.04958	1.2
119.08578	2.9
120.05260	0.6
121.06516	3.0
121.10144	36.8
123.08053	2.1
123.11698	1.8
125.05915	0.9
125.09628	1.1
127.03849	0.5
129.06987	0.9
131.00157	1.7
131.08565	2.2
133.07616	0.7
133.10126	1.4
135.08051	1.5
135.11646	1.1
137.05991	6.7
137.09619	0.5
137.13245	0.5
138.06325	5.5
139.11200	1.4
143.00159	0.8
145.06587	0.7
145.10117	2.6
147.08003	0.9
147.11685	1.0
149.01183	1.2
149.09628	13.4
149.13190	0.5
151.11266	0.5
157.10106	0.7
158.99675	1.1
159.08063	0.8
159.11723	1.1
163.11217	1.4
167.10678	100.0
170.05919	0.6
173.09641	1.3
173.13228	1.2
174.99168	0.9
175.11058	0.8
177.09155	0.8
179.06569	0.8
187.11192	2.0
187.14828	0.5
189.12720	0.8
205.12253	0.7
205.15918	0.7
209.15204	0.7
215.10751	1.2
215.14319	1.3
215.17920	0.7
219.01636	0.6
231.08743	1.0
233.11717	1.1
233.15356	2.5
234.12080	10.3
249.02850	1.1
251.08693	6.7
251.12640	1.4
251.16423	13.7
251.20209	0.8
251.58734	0.7
254.95888	0.4
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	Sterpuric acid
Peak:m/z	Relative Intensity
53.03949	8.7
55.01854	6.1
55.05513	23.3
56.96559	8.1
57.03431	5.0
57.07080	2.1
65.03925	3.8
66.37531	1.5
67.05507	90.2
69.03428	2.8
69.07071	20.0
70.68436	4.9
71.04975	5.9
73.06551	4.3
79.05497	73.4
81.03429	12.2
81.07062	94.5
81.17731	1.7
83.04983	6.4
83.08617	7.5
85.06569	3.0
86.30135	1.7
91.05484	100.0
93.07050	47.1
95.04977	21.1
95.07995	3.2
95.08608	58.5
97.06527	8.2
97.10156	3.3
98.98471	92.4
103.05459	5.8
105.04526	3.6
105.07035	78.9
107.04950	24.7
107.08598	21.4
109.06528	22.8
109.10164	23.9
110.33245	1.9
111.08087	3.2
115.05495	2.7
117.07024	31.1
119.08587	56.6
121.06510	9.2
121.10133	12.5
123.08053	4.8
123.11708	7.5
128.06223	2.6
129.06978	11.7
131.08575	56.0
133.06503	6.7
133.10136	13.6
135.08055	6.6
135.11687	2.9
135.18977	1.8
137.05991	2.1
137.09595	4.9
141.06955	5.1
143.08546	5.9
145.06531	1.9
145.10132	19.5
147.08047	6.2
147.11710	4.1
149.09645	4.7
155.08580	7.3
159.08043	3.2
159.11685	7.1
163.11221	2.8
169.10133	7.5
171.11693	12.3
173.09567	2.0
173.13274	15.8
174.99217	3.6
187.11153	2.9
187.14778	13.9
197.13248	10.6
205.15875	9.0
215.14360	11.9
233.04623	2.0
233.15369	69.3
251.09177	1.9
251.12610	3.0
251.16422	30.2
251.20073	12.8
261.03040	2.1
269.10593	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	251.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.05504	1.0
56.96554	1.1
57.03424	0.5
57.07066	0.5
62.30606	0.3
67.05501	3.9
69.07050	1.1
71.04985	0.9
72.38778	0.4
79.05502	2.5
81.03400	1.1
81.07063	4.6
83.04977	0.7
83.08590	0.4
85.02882	0.4
85.06561	0.5
91.05474	2.0
93.07058	3.0
95.04934	1.7
95.08606	2.4
97.06529	2.0
97.40706	0.4
98.06861	0.5
98.21527	0.8
98.98467	26.6
102.62751	0.4
105.07024	1.7
107.04961	0.4
107.08598	1.7
109.06538	0.5
109.10152	1.1
111.00581	3.5
117.07005	1.1
119.08597	1.1
120.05231	0.3
121.10143	1.5
123.08047	0.6
123.11722	0.4
125.06030	0.6
131.08597	1.6
133.10112	1.1
135.08029	1.0
135.11699	0.7
137.05940	0.4
137.09642	0.4
138.06281	0.5
145.10124	0.7
147.07973	0.7
147.11670	0.8
149.09642	1.7
149.13229	0.9
150.10405	0.4
151.07552	0.5
157.10098	0.4
159.11694	1.3
161.15849	0.4
163.11099	0.8
173.09589	0.6
173.13329	0.7
174.99228	1.2
186.06731	0.7
187.14888	0.4
213.73415	0.4
215.14273	0.8
233.11705	1.1
233.15352	2.1
234.12074	1.5
250.59665	0.4
251.12549	100.0
251.16205	4.3
252.12946	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
53.47524	0.6
55.01862	1.9
56.73649	0.6
56.73936	0.6
57.03426	0.7
57.04409	0.6
63.23457	0.6
67.05500	1.9
69.03423	0.9
69.07067	18.0
69.68386	3.7
69.68789	1.3
79.05492	9.3
79.55750	0.6
81.41357	0.7
91.05477	20.0
92.51866	0.7
97.06531	76.2
109.06490	1.3
115.36340	0.6
119.04939	14.9
135.04448	1.2
136.05191	1.3
137.05978	100.0
147.04427	2.9
149.05977	1.2
163.03922	1.6
189.07632	0.6
189.09090	3.8
215.10625	1.2
233.11720	85.3
250.14388	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	250.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
59.70506	0.5
65.03928	0.6
67.05502	1.6
67.67022	0.7
69.07072	27.4
69.71703	2.9
70.21047	0.5
79.05496	5.4
91.05486	20.3
97.06540	24.3
109.06529	1.9
119.04945	16.3
119.05789	1.1
132.51709	0.5
136.05196	2.4
137.05983	100.0
149.05977	1.5
163.03889	1.8
163.69673	0.6
191.06844	0.7
215.10715	1.2
221.49171	0.5
233.11728	74.2
246.19409	0.6
250.14325	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	250.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.4
55.01868	0.5
57.03447	1.0
65.47790	0.3
67.05513	0.6
69.03423	0.6
69.07072	3.7
69.84536	1.7
71.50042	0.3
73.06576	0.3
79.05504	1.0
79.92194	0.3
84.08200	0.5
91.05499	1.2
93.07059	0.6
94.04065	0.5
95.05005	0.4
97.02902	0.4
97.06538	3.1
98.97574	1.1
98.98457	0.4
103.05461	0.4
105.07062	0.8
107.04984	1.0
109.02879	0.3
110.97603	0.4
115.05473	0.7
117.07011	1.7
119.03542	1.6
119.04931	0.6
121.06487	1.7
128.06210	0.9
131.04951	0.4
133.06491	3.6
133.10091	0.5
135.04494	0.4
135.08069	0.4
136.06186	92.0
137.04553	0.9
137.05923	0.4
143.08553	1.4
145.06520	0.8
147.07997	0.4
149.05977	7.2
152.05664	1.0
154.07668	0.3
157.06499	0.4
159.08043	0.6
159.11754	0.3
161.09604	2.0
163.07533	3.5
167.07037	1.7
169.10059	0.8
171.08025	1.0
174.07761	1.1
177.09155	0.7
182.07335	0.4
187.11102	1.1
189.09106	18.3
197.09642	0.6
205.12245	2.4
206.11780	0.4
209.01688	0.5
209.05653	0.9
214.10883	0.4
215.10690	3.0
233.11726	29.0
250.12941	100.0
251.13126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.01865	7.2
55.05489	3.4
56.96294	2.6
56.96566	41.4
57.03438	21.9
61.02922	15.1
67.05490	2.6
69.03429	30.6
69.07061	5.7
70.06593	4.6
70.09119	7.4
70.98135	11.6
71.04992	6.9
71.95258	4.3
72.08173	2.0
73.02921	27.6
81.03418	12.9
81.07047	2.4
83.00790	3.2
84.04506	2.4
84.08147	45.9
84.96034	5.5
85.02904	62.3
86.06068	26.4
87.04467	32.9
88.07625	9.9
88.99158	7.2
89.00795	2.5
91.03951	3.1
91.05443	2.7
91.87971	1.7
93.07037	2.0
97.02899	32.2
97.06545	8.3
98.01299	4.8
98.97586	100.0
98.98471	3.2
99.04457	6.4
99.97917	4.3
100.99147	2.5
101.00817	6.7
102.01575	2.3
104.01293	3.5
106.02908	1.7
107.00186	1.9
108.01558	1.7
109.02908	8.9
110.01279	18.3
110.07175	2.5
110.09671	3.4
110.97556	23.7
111.97941	1.7
112.99143	4.8
115.03969	2.8
116.01299	2.3
116.03075	1.6
116.98614	28.5
117.01992	2.6
118.02751	1.6
119.01825	23.9
123.04426	5.3
124.99132	3.2
125.01804	2.7
126.02554	3.4
127.00700	5.3
127.03917	21.0
128.01428	1.6
128.02328	10.2
128.07153	2.0
128.37262	1.6
128.98604	20.1
131.00157	5.8
131.01817	6.6
134.99652	6.7
136.06181	26.7
137.02797	2.9
137.05959	3.4
138.09164	3.7
140.02293	9.1
140.98590	4.4
143.00186	7.7
143.01836	4.7
144.02664	1.9
145.01715	5.9
145.04948	8.1
146.02269	9.2
146.99625	10.6
147.03165	4.1
148.01961	2.3
149.01213	3.6
149.02852	3.2
152.02330	8.4
153.03200	2.0
155.02866	8.3
156.03546	2.1
156.10210	45.9
157.01659	1.8
157.03479	2.3
158.99695	14.5
160.02054	1.9
160.02687	1.7
160.03893	6.9
160.06564	8.2
161.01352	3.1
161.02853	12.8
163.02821	3.6
164.03262	1.8
164.07132	2.3
165.00739	2.7
169.02745	11.2
169.04378	21.2
170.03395	4.8
170.08165	1.8
170.99664	14.8
173.01221	6.0
173.02867	5.9
174.11261	61.2
174.97592	1.8
174.99178	5.4
175.02875	3.7
177.00667	11.1
177.04262	3.2
177.05960	2.0
177.07924	6.1
178.03101	2.4
182.01767	3.0
182.03343	34.9
182.99660	5.3
185.03008	5.1
186.04462	3.9
187.02745	2.8
188.09163	3.0
189.00754	12.3
189.09087	1.8
190.01126	4.4
190.06931	1.9
191.02275	5.8
191.03868	45.5
193.00215	6.0
193.03912	2.7
200.04398	24.8
200.12798	6.0
201.00644	8.4
202.54596	1.6
203.02194	2.2
203.03979	2.6
205.03851	3.2
206.11804	43.3
207.01689	1.9
208.02051	3.9
209.03178	2.1
209.05037	5.0
217.00262	6.9
217.03798	2.9
217.07394	1.8
218.13921	7.7
218.17569	4.0
219.01736	13.4
227.00912	5.5
227.04027	3.0
235.01219	15.0
237.02898	8.4
241.06544	6.7
245.02045	3.6
250.07047	5.0
250.14772	33.0
250.20107	3.5
255.03964	4.5
261.02814	5.6
265.02313	4.3
266.71954	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.185
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
53.03946	5.3
53.21039	0.8
54.96778	0.7
55.01860	2.2
55.05274	1.0
55.05512	13.2
56.10580	0.9
59.05001	4.7
65.03932	2.8
67.05504	30.7
67.08657	0.9
69.03426	1.0
69.07068	13.5
69.76756	0.7
71.04976	2.2
73.06540	3.1
77.03931	1.6
78.85767	0.9
79.05495	82.3
79.71719	0.7
81.03416	1.4
81.07059	41.3
83.04950	2.5
83.08610	6.8
85.06541	8.2
87.08120	0.9
91.05482	45.2
92.06210	0.8
93.07045	100.0
95.04971	5.7
95.08609	29.6
95.27940	0.8
97.02885	1.2
97.06536	3.4
97.10148	2.1
98.21651	1.1
98.98515	1.0
99.08108	4.0
101.06001	2.9
105.04520	2.3
105.07034	27.3
107.04990	1.4
107.08595	67.7
109.06507	3.3
109.10152	8.8
111.04461	0.8
111.08063	2.5
115.07536	2.7
117.07023	8.2
119.08582	39.2
121.06482	3.4
121.10146	88.3
123.08044	3.7
123.11707	0.9
127.07594	1.0
128.06186	0.8
129.06992	4.2
131.08565	13.9
133.06438	0.8
133.10132	44.3
133.64098	0.8
135.08049	9.3
135.10692	1.3
135.11685	19.6
137.09647	4.7
139.07521	1.2
142.07744	1.2
143.08556	7.3
145.10123	6.8
147.08040	1.5
147.11684	6.9
149.09610	3.3
149.13339	0.9
151.11218	3.7
153.09084	1.0
155.10680	0.9
157.10129	9.2
159.11691	2.0
161.09566	4.1
161.13289	2.0
167.10645	1.6
171.11674	7.3
173.13269	7.6
175.11209	6.0
175.14838	24.5
179.10571	1.0
189.09074	1.0
189.12727	3.4
189.16388	14.3
193.12260	1.8
199.14810	30.0
207.11450	0.9
207.13600	1.0
217.15883	30.8
231.17422	3.0
249.18501	98.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1851
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.03942	1.2
53.25376	0.7
55.01861	0.8
55.05266	0.9
55.05515	11.8
57.07067	3.3
59.05018	1.2
60.00802	0.7
67.05505	6.7
69.03434	1.4
69.07068	7.2
71.08637	1.0
71.57500	1.0
79.05491	6.6
81.03444	1.8
81.07057	8.6
83.04964	1.2
83.08613	5.4
85.06551	1.2
91.05482	7.2
93.07044	14.5
95.04974	3.0
95.08605	20.3
97.06526	0.9
97.10191	3.8
102.11370	0.7
105.07029	13.3
107.08607	18.8
109.06465	1.4
109.10152	12.3
111.08082	2.0
117.06999	1.0
119.08588	24.7
121.10158	15.2
123.08046	1.2
123.11749	3.7
125.05997	1.1
125.09647	1.8
131.08633	1.1
133.10138	31.1
135.08076	1.2
135.11722	6.9
137.05988	1.2
139.07520	2.0
145.10117	2.2
147.11696	19.6
149.13269	5.0
151.07457	0.8
151.11176	2.8
153.09113	8.8
157.10081	0.9
159.11671	1.3
161.09616	1.2
161.13268	9.9
163.11241	0.9
163.14833	2.5
165.09103	2.2
165.12781	1.0
167.10648	7.4
175.11215	1.8
175.14856	3.3
179.10667	2.1
181.12259	0.9
189.16328	1.1
193.12273	2.5
199.14868	1.3
203.17961	100.0
204.18312	1.1
205.19553	14.2
207.13791	1.2
217.15863	1.2
221.15549	0.8
221.19073	6.7
231.17387	5.1
249.11087	1.9
249.15755	3.2
249.18538	22.8
249.22057	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	249.185
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
50.01598	0.2
51.02383	0.7
51.03069	0.3
53.03946	5.7
55.01884	0.7
55.05513	3.7
57.03428	0.4
59.05001	0.9
65.03934	1.3
67.05502	24.2
69.07066	4.1
70.81588	0.7
71.04990	0.5
73.06556	0.7
76.62465	0.3
77.03932	1.7
78.04690	0.3
79.05492	39.3
81.03401	0.9
81.07056	11.4
83.04983	1.4
83.08614	2.1
85.06538	2.8
91.05481	41.4
93.07042	100.0
94.07341	0.4
95.04969	7.4
95.08605	7.9
97.06528	1.3
97.10147	0.7
99.08098	1.0
105.04504	3.1
105.07028	7.6
107.04960	0.5
107.08595	19.3
109.06538	0.7
109.10158	3.2
111.08090	0.4
115.07568	0.9
117.07024	3.8
119.08585	11.2
121.06526	1.1
121.10142	32.7
123.08052	0.8
123.11739	0.5
124.52406	0.3
125.09654	0.4
127.07584	0.5
128.06279	0.4
129.07013	2.4
131.08566	5.8
133.10132	15.2
135.08043	3.8
135.11694	7.7
137.09633	1.8
142.07852	0.3
143.08548	2.0
145.10104	1.8
147.11676	1.8
149.09647	1.9
151.11179	2.9
157.10161	3.5
159.11729	0.5
161.09654	0.9
161.13234	0.4
167.10686	1.4
171.11696	2.4
173.13289	2.0
175.11191	0.5
175.14818	5.8
183.13705	0.3
189.12740	1.0
189.16412	3.2
199.14812	10.8
217.15883	8.5
217.51500	0.3
249.18501	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	249.1851
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
51.02374	0.6
53.03944	5.8
55.01863	0.8
55.05509	4.3
56.96556	0.4
57.07076	0.5
59.04992	1.5
63.91994	0.5
65.03948	1.5
67.05503	25.4
69.07069	4.6
71.51841	0.4
73.06551	0.8
77.03926	1.7
79.05490	39.5
81.07051	11.3
83.04978	1.0
83.08618	1.7
85.06541	2.6
91.05478	42.2
93.07040	100.0
94.07357	0.6
95.04958	6.3
95.08605	9.5
97.06507	1.0
97.10193	0.9
99.08084	1.0
105.04501	3.4
105.07025	8.5
107.04951	2.1
107.08590	21.4
107.68118	0.4
109.06506	1.1
109.10158	2.5
111.46966	0.4
115.07577	1.0
117.07008	4.0
119.08582	11.6
121.06506	2.3
121.10140	32.5
123.04448	1.4
123.08109	0.5
123.11684	0.7
128.06186	0.5
128.83218	0.5
129.07005	1.9
131.08574	5.6
133.06494	0.9
133.10123	14.7
135.08060	4.5
135.11681	7.8
137.09598	1.5
139.46205	0.5
143.08574	2.8
145.10135	1.8
147.08081	0.8
147.11723	2.6
149.09589	1.0
151.11192	2.8
157.10115	3.6
159.11647	0.9
161.09665	1.0
167.10623	0.6
171.11674	1.9
173.13245	2.4
175.11282	1.0
175.14818	7.0
179.65546	0.5
187.78609	0.4
189.12694	1.5
189.16380	4.7
199.14799	9.6
203.10680	1.0
203.14304	1.3
217.15884	8.2
231.13887	0.5
233.15393	3.4
249.14731	1.6
249.18486	32.5
253.42500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1851
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
51.02367	1.3
53.03950	9.2
55.05507	5.8
55.05716	1.0
57.07061	1.8
59.04982	3.2
65.03928	1.7
67.05504	26.8
69.07067	5.7
71.56882	1.9
79.05492	39.3
81.03403	2.1
81.07059	12.4
83.04990	1.2
83.08616	1.9
85.06530	2.8
88.42529	0.9
91.04895	1.8
91.05480	45.7
93.07044	100.0
95.04964	8.6
95.05954	1.0
95.08605	9.3
98.98495	1.0
104.99219	1.0
105.04514	3.3
105.07023	9.4
107.04922	2.5
107.08603	21.6
109.06493	1.7
109.10155	3.4
111.08051	1.5
115.07613	1.1
117.07002	3.9
117.73670	1.0
119.08583	12.1
121.10147	33.5
123.06675	1.2
123.08015	1.4
125.09644	1.4
129.06955	1.6
131.08582	5.9
133.06464	1.6
133.10130	16.3
135.08028	3.0
135.11703	8.1
137.05975	2.0
137.09613	1.9
143.08527	2.3
145.10133	2.2
147.07970	1.7
147.11690	1.9
149.09598	2.3
151.11174	2.6
157.10095	3.4
161.09637	1.3
161.13280	1.1
166.87798	1.2
171.11659	3.5
173.13289	2.1
175.11230	1.6
175.14787	5.4
189.09151	1.9
189.16391	3.3
199.14830	9.5
216.00159	1.0
217.15887	9.5
219.18706	1.1
227.82324	1.1
249.11354	1.7
249.14613	2.1
249.16560	1.1
249.18515	25.7
249.22314	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
50.08406	1.2
53.03947	5.8
55.01864	2.6
55.05507	15.9
56.96553	4.7
57.07074	2.1
59.05000	1.6
62.19452	1.3
65.03912	1.5
67.05177	1.9
67.05505	23.7
69.07065	11.6
69.78569	6.7
70.40952	1.2
71.04984	2.3
77.03948	1.6
79.05492	83.2
80.47462	1.1
81.03426	2.8
81.07053	34.7
83.04995	2.7
83.08620	7.2
85.06544	3.1
91.04905	1.5
91.05478	33.9
93.07044	100.0
95.04979	7.6
95.05479	1.2
95.08601	22.1
97.06524	4.9
97.10141	2.5
98.20834	1.7
100.01659	1.1
105.04479	2.4
105.07030	25.8
107.04954	7.5
107.08593	87.4
109.06509	5.5
109.10158	9.9
111.08050	1.4
112.39294	1.0
117.07008	5.0
119.06099	1.8
119.08578	16.9
121.06512	2.9
121.10143	54.2
121.93319	1.5
123.04488	1.3
123.08067	3.6
126.03302	1.3
129.06992	3.3
131.08553	7.0
133.10132	18.8
135.08081	3.1
135.11682	23.7
137.05977	1.5
137.09676	1.4
143.08531	3.4
145.10097	6.7
147.11652	8.5
148.08624	1.3
149.09625	2.9
149.13258	4.5
151.11282	1.7
157.10114	5.6
161.09549	2.2
161.13231	2.5
161.34621	1.2
167.10744	2.7
171.11694	6.9
175.11179	2.4
175.14781	1.1
179.10448	1.1
185.04845	2.0
185.13278	2.5
187.14734	1.5
189.09178	1.7
189.12733	3.0
189.16400	3.6
193.12224	2.8
203.05913	2.6
203.14326	3.2
203.17897	2.9
207.13831	2.1
213.12749	1.3
213.16318	6.6
217.15950	2.3
228.66478	1.7
231.13867	2.7
231.17427	5.7
238.35172	1.2
242.51437	1.3
249.14735	7.0
249.18506	72.6
267.09030	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	249.1847
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
53.03949	7.0
55.01860	0.9
55.05513	3.4
56.96578	0.9
59.04994	1.2
65.03934	0.9
67.05504	24.5
69.07066	3.5
70.95324	0.8
70.95655	0.8
73.06562	1.0
77.03931	1.5
79.05497	34.5
81.03411	1.2
81.07063	11.4
83.05019	1.0
83.08614	2.0
85.02945	0.7
85.06540	2.4
91.05484	42.3
93.07045	100.0
95.04962	8.3
95.08610	7.7
97.06528	1.7
99.08110	0.9
105.04528	2.8
105.07041	7.6
105.40413	0.5
107.04946	0.7
107.08597	18.2
109.06551	0.7
109.10162	2.9
111.08102	0.6
115.05483	0.5
115.07580	0.9
115.43183	0.5
117.07018	3.7
119.06034	0.6
119.08587	10.6
121.06520	1.2
121.10147	30.7
123.08097	1.0
123.11720	0.6
129.07031	1.4
131.08575	5.2
133.10132	13.5
135.08072	3.4
135.11694	7.4
137.05908	0.7
137.09602	2.2
143.08575	2.0
145.10127	1.9
147.11716	1.1
151.11182	2.4
153.09137	0.7
153.32982	0.6
157.10176	2.5
160.77699	0.6
167.10741	0.6
171.11702	1.8
173.13272	1.9
175.11194	0.8
175.14815	5.2
189.12750	1.1
189.16364	4.3
199.14825	9.2
217.15866	6.6
249.14804	1.6
249.18515	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	249.1486
Annotation	[R-(E)]-6-(4-Formyl-3-cyclohexen-1-yl)-2-methyl-2,6-heptadienoic acid
Peak:m/z	Relative Intensity
53.03939	7.1
53.74837	1.4
55.01875	3.5
55.05514	12.2
56.96561	18.4
57.03439	4.5
57.07071	4.2
59.04988	2.8
60.55411	1.6
62.71711	1.6
65.03939	2.1
67.05501	27.8
68.14034	1.7
68.99774	2.2
69.03429	31.8
69.07066	15.2
69.77158	8.7
71.01363	1.7
71.04987	5.2
71.95277	2.1
75.04470	5.1
77.34325	1.4
78.58189	1.8
79.05491	27.9
80.78999	1.7
81.03422	17.5
81.07057	41.2
81.07525	3.1
83.04980	14.1
83.08618	4.8
84.96041	2.3
85.02907	15.7
85.06551	3.7
87.00816	3.6
90.56110	1.6
91.05478	42.6
93.07039	100.0
95.04964	18.1
95.08602	38.7
95.09168	3.2
97.02885	8.0
97.06516	15.5
97.10154	1.9
98.20760	2.2
98.97578	33.0
99.04499	2.4
103.05463	3.7
105.04512	1.8
105.07025	39.3
107.04938	10.6
107.08586	44.3
108.05692	2.5
109.02882	7.6
109.06506	20.0
109.10149	17.7
110.07325	2.6
110.97549	3.1
111.04434	4.0
111.08096	14.2
112.99178	2.0
115.05465	2.1
116.98637	10.1
117.06996	4.9
119.01772	2.7
119.04971	5.4
119.08574	53.4
121.06505	35.0
121.10143	42.7
123.04437	3.2
123.08093	8.6
123.11700	4.1
125.06034	3.6
127.03929	6.4
128.06236	2.8
128.98563	2.0
129.07005	5.8
131.08522	9.0
133.06529	8.2
133.07404	1.8
133.10126	26.3
135.04431	2.4
135.08051	14.3
135.11684	11.6
137.05951	14.1
137.09584	9.8
139.07579	3.3
142.07800	2.9
143.08549	8.3
145.03387	1.8
145.06499	3.6
145.10094	9.8
147.04434	2.2
147.08051	47.5
147.11673	14.4
149.06006	5.4
149.09628	8.2
149.13216	4.1
151.07558	3.2
153.05490	2.0
157.10136	5.8
158.99657	7.9
159.08061	2.5
159.11713	5.4
161.06024	5.4
161.09602	10.6
161.13237	12.0
163.04109	2.0
163.07623	2.0
163.11180	2.9
163.14801	11.3
165.05479	14.5
165.09189	2.6
170.10828	2.5
171.08022	3.3
171.11690	4.8
173.01277	3.2
175.07562	13.9
175.11191	4.5
175.14833	22.8
176.07094	7.1
177.00725	7.1
179.07071	3.4
185.04897	18.2
185.06357	2.6
185.13304	6.3
189.05521	2.6
189.09096	7.4
189.12691	13.7
189.16370	2.8
195.11653	2.7
203.05870	28.7
203.14345	18.1
205.08728	3.2
205.10817	2.0
208.06433	2.2
213.12686	12.2
218.60912	2.4
220.10574	2.5
221.07045	1.8
226.07610	3.2
228.10150	6.1
229.07318	3.6
231.10257	3.2
231.13783	25.4
231.17348	3.4
233.11795	6.1
244.99765	3.6
249.09134	3.4
249.11177	14.8
249.14900	66.4
249.18463	10.8
267.09052	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	249.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52686	1.0
56.96295	1.7
56.96567	27.3
70.02988	3.3
70.98125	81.9
71.24013	1.0
71.90355	0.9
71.95280	1.0
74.97606	3.3
85.63490	0.9
85.64075	1.0
86.97585	1.9
87.57207	0.8
88.99165	51.6
98.21413	1.5
98.97586	100.0
100.99115	0.9
106.53079	1.0
107.00203	6.8
116.98625	26.0
128.98615	78.8
131.00165	6.9
131.00970	1.1
134.99673	2.9
146.99657	97.0
149.01224	3.8
158.99664	3.2
165.00725	37.6
170.01265	1.5
173.12387	1.0
177.00800	1.9
180.09167	1.0
183.01826	1.3
189.00716	89.3
207.01784	61.0
225.02866	6.4
230.03342	1.7
249.02838	16.9
267.03873	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	249.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	47.0
57.03430	1.0
61.02935	1.1
61.24022	0.8
68.44734	1.0
69.03412	0.9
69.36270	4.9
69.36688	2.5
70.98124	64.2
71.95261	1.3
72.08140	2.6
74.97599	3.1
84.96066	1.0
85.02895	2.4
86.97608	4.1
87.23958	0.9
88.99163	38.4
89.16950	0.8
97.02887	2.4
98.21512	1.8
98.97585	100.0
100.99150	5.0
101.00879	2.0
107.00198	5.2
110.97559	4.5
112.99109	5.4
116.98619	31.3
119.00198	1.4
119.01865	1.5
126.96986	1.0
128.98608	50.1
130.08594	1.0
131.00179	29.1
131.01848	1.2
133.03423	1.8
134.99635	3.9
143.00140	2.1
143.01880	1.5
144.98051	1.4
146.99652	69.2
149.01225	38.1
156.03613	2.4
156.98125	4.2
158.38548	0.8
158.99686	12.0
161.01231	1.0
161.02890	1.0
163.02678	1.4
164.99333	1.5
165.00725	23.7
167.02301	7.4
172.02847	1.2
174.99138	8.0
177.00726	7.4
177.02278	1.3
183.01797	1.2
189.00723	62.2
191.02310	1.3
193.00223	7.2
195.87306	1.0
205.03793	1.6
207.01779	47.3
212.34851	0.9
217.00218	1.9
225.02849	6.4
228.05748	3.5
230.03328	2.0
231.01717	1.1
235.01205	2.4
249.02792	19.5
249.12915	2.0
267.03833	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	248.1283
Annotation	4-Epiphyllanthine
Peak:m/z	Relative Intensity
51.72396	0.4
55.01867	1.2
55.05504	0.3
56.96555	1.5
57.03423	0.5
63.21560	0.3
69.03442	0.7
69.07066	0.4
70.06595	0.6
70.98107	0.8
71.55554	0.5
72.08145	1.1
79.05475	0.6
81.03371	0.5
84.04506	2.8
84.08144	1.5
85.02900	0.7
87.04447	0.6
91.05482	3.6
93.07030	0.6
97.02890	0.6
97.06523	0.6
98.97591	2.2
101.00887	1.5
103.05460	0.7
105.07040	3.2
106.46944	0.3
107.08568	0.4
110.37075	0.3
110.97554	0.4
116.98581	0.7
117.07010	1.9
118.03490	0.8
119.01940	3.6
119.04942	0.8
119.08582	6.5
120.08116	2.4
121.06449	0.4
123.04483	0.4
128.06215	1.2
128.98647	0.6
129.07024	6.8
131.04919	0.8
131.08598	2.5
132.05745	1.6
132.08054	0.5
133.06487	0.5
136.06203	0.4
137.05965	0.6
141.06950	0.5
142.07780	0.7
144.05656	0.8
145.06485	0.7
145.08975	0.4
145.10049	0.7
146.99615	0.5
147.04410	0.9
147.08058	14.7
147.09238	0.7
149.05986	0.6
149.09631	2.6
150.05472	0.4
157.06514	3.7
157.10152	1.3
158.98462	0.4
158.99667	0.4
159.08080	2.5
160.05191	1.1
161.04764	0.5
161.06017	1.6
164.07091	3.4
165.09157	0.5
166.01083	0.5
167.08563	0.5
172.09669	0.5
173.09615	0.9
174.06746	0.7
174.12791	1.7
175.07558	11.5
176.10738	0.7
177.00719	0.5
177.09105	6.0
185.06021	0.7
185.09645	1.1
187.07599	0.7
189.05824	0.4
189.09117	0.5
202.07170	0.5
202.12262	2.0
203.07130	3.4
203.10632	1.3
204.10254	0.7
205.08661	0.7
206.00554	0.4
211.73663	0.4
213.09076	0.7
220.13341	0.9
227.06833	0.5
230.11787	3.1
231.10094	0.7
248.07664	2.4
248.12840	100.0
249.13226	0.7
266.08743	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38665	0.6
56.96567	28.1
57.03423	1.1
61.02935	0.7
61.27843	0.6
61.46133	0.6
66.67667	0.7
69.03432	1.8
70.06593	2.0
70.98128	3.2
71.55146	1.0
71.95265	2.7
72.96043	2.5
73.02932	1.4
83.97636	0.8
84.04496	1.3
84.08145	2.2
84.96035	1.8
85.02901	3.3
86.09700	4.8
88.99168	2.0
91.05494	1.1
97.02883	2.2
98.97587	100.0
100.11245	1.1
101.00861	1.3
102.29041	0.8
102.96849	1.4
105.07053	1.2
109.02835	0.7
110.97574	2.1
115.00701	1.0
116.00257	1.4
116.98623	37.4
117.07008	0.9
119.01895	1.9
119.08571	2.0
120.02007	1.2
120.97955	0.8
121.01675	0.8
123.11353	0.7
126.02290	2.3
127.00683	1.1
128.95137	0.7
128.98604	3.1
129.07001	1.8
130.05070	0.7
130.08682	0.7
131.00198	1.0
131.08566	1.3
134.01323	1.3
134.99664	10.0
136.06181	2.0
140.03822	2.5
142.05409	2.4
145.01659	1.0
145.26132	0.7
146.91846	1.9
146.99687	3.8
147.08064	4.3
154.03888	2.2
157.06450	1.0
158.04913	2.8
158.99599	1.6
159.08029	1.0
160.06474	3.9
164.07094	0.9
164.92868	0.9
165.00731	1.8
170.04903	2.0
171.03317	4.0
175.07550	3.0
177.09140	1.5
187.54100	1.1
188.02374	1.0
188.05948	3.7
189.00706	2.8
189.04343	11.4
197.03082	0.9
202.07500	1.2
203.05774	0.8
206.07036	9.3
207.01778	3.3
207.05391	3.4
224.08067	7.1
225.02589	0.9
228.05757	1.1
230.07014	40.4
231.05447	2.2
233.53419	1.0
248.05766	2.8
248.08086	58.7
248.12871	28.2
266.09171	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2055
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03937	1.6
55.01857	2.2
55.05270	0.9
55.05510	11.0
56.96569	2.5
57.03414	0.8
57.07050	2.2
65.03941	1.0
67.05503	20.6
69.03410	1.0
69.07063	12.2
69.68257	1.5
69.68645	1.2
71.04976	2.0
79.05492	20.0
81.03402	1.7
81.07056	23.3
83.04983	3.1
83.08617	4.9
84.96021	0.9
85.06507	1.7
91.05473	15.5
93.07040	29.3
95.04974	6.9
95.08608	16.0
97.06556	2.6
97.10168	2.6
98.21478	0.9
98.98440	1.4
103.05500	0.8
104.99251	1.2
105.04510	0.6
105.07030	14.1
107.04955	5.0
107.08597	17.8
109.06519	6.1
109.10158	8.6
111.08071	1.9
117.06997	3.7
119.07813	0.7
119.08590	10.3
121.06509	7.1
121.10144	14.6
123.08047	2.9
123.11703	3.6
125.09591	1.3
129.07004	1.0
131.08572	8.0
133.06483	0.5
133.10136	10.1
135.08073	4.9
135.11679	10.8
137.05969	0.8
137.09610	3.0
137.13260	1.0
139.11177	0.6
143.08551	0.8
145.10120	8.0
147.08052	0.5
147.11688	6.3
149.09581	4.7
149.13249	7.9
151.11157	4.4
153.12761	0.7
159.11658	5.5
161.09467	0.6
161.13203	3.2
163.11174	6.1
163.14825	1.6
165.12737	2.1
171.11705	0.8
173.13280	4.9
175.14803	1.5
177.12729	2.2
179.14313	1.0
187.14833	3.3
189.16437	1.2
191.14334	3.3
201.16359	1.2
203.18076	0.6
205.15880	2.3
215.06464	0.6
219.21063	0.8
229.12222	0.8
229.15857	0.9
229.19482	8.9
247.06061	0.6
247.16963	8.9
247.20570	100.0
248.20909	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
50.14102	1.4
53.03954	3.6
55.01856	4.6
55.05506	10.4
56.96566	11.9
57.03422	4.2
57.07085	8.7
59.04998	3.9
62.79293	1.4
67.05227	1.5
67.05512	17.0
68.91485	1.9
69.03439	9.9
69.07073	15.5
71.04996	4.6
71.56306	1.9
73.02914	5.5
79.05497	15.0
81.03415	5.6
81.07060	25.6
83.04995	8.3
83.08627	8.6
84.96024	2.3
85.02904	8.5
85.06552	8.5
91.05482	24.0
93.07047	29.5
95.04980	21.1
95.08614	37.7
97.02915	3.4
97.06551	3.6
98.97598	13.7
103.05457	2.0
105.07037	36.1
107.04993	2.9
107.08601	37.6
109.02894	5.5
109.06535	19.4
109.10168	20.2
110.97549	3.4
115.05466	2.9
116.98620	4.3
117.07038	17.8
119.01823	2.1
119.08589	41.4
120.22121	1.6
121.06534	7.9
121.10143	30.5
123.08041	5.5
123.11697	5.6
125.02374	2.8
125.05943	1.5
125.09611	5.0
128.06169	4.1
128.98624	2.1
129.07021	8.5
130.07805	7.8
131.08574	25.9
133.06485	2.7
133.10130	24.0
133.13266	1.5
135.04390	2.1
135.08055	21.7
135.11664	8.2
137.02711	1.8
137.05994	3.6
137.09599	4.2
139.11223	3.2
141.06952	2.2
142.07736	2.3
143.08543	8.6
144.09323	5.7
145.05116	1.7
145.06468	2.9
145.10124	61.5
147.08063	19.7
147.11711	12.7
149.09604	20.0
150.06792	6.4
151.11177	2.9
153.09085	1.7
154.07877	2.0
155.08572	4.0
156.09358	3.3
157.10133	9.1
158.07285	2.6
158.10901	3.1
158.99745	1.8
159.08040	6.1
159.10464	2.3
159.11708	32.0
161.09650	9.9
161.13287	6.1
163.11217	9.8
165.09146	3.3
169.10172	9.6
170.10921	4.8
171.11725	13.8
173.09627	27.0
173.11873	3.4
173.13216	9.7
175.11220	2.5
175.14772	2.6
177.09148	1.9
180.60199	1.9
181.10056	5.0
183.03351	2.7
183.04881	4.5
183.11729	2.3
185.13310	9.2
187.11221	8.0
187.14839	9.2
189.12781	8.7
191.10669	12.8
192.05400	3.9
192.55588	1.8
196.12514	8.1
199.11180	6.4
201.00690	2.5
201.04298	3.3
201.12697	3.7
201.16388	20.5
203.14299	3.7
205.15866	2.3
206.02563	6.9
211.14818	17.2
212.13733	1.8
213.05937	2.7
214.13535	14.6
214.53540	3.7
219.17416	2.6
224.03551	11.4
225.03940	2.0
226.04826	6.1
229.12418	2.8
229.15907	54.9
235.05450	10.0
239.05881	8.1
242.04674	1.9
246.56291	2.6
247.09830	2.7
247.16936	100.0
247.20636	6.5
247.24069	2.5
257.06952	2.4
262.07385	1.9
263.05981	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	247.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82178	0.4
60.08165	66.5
70.13728	1.6
75.33014	0.5
91.05460	0.7
98.20787	0.5
104.59011	0.5
107.13901	0.5
115.05450	1.2
117.07012	2.2
118.06544	30.6
142.06544	2.2
143.07338	2.9
144.08095	18.5
146.06015	82.5
160.07559	0.9
170.06015	6.6
188.07074	100.0
189.07451	0.7
247.14458	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	247.1329
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03934	3.9
55.01860	1.4
55.05522	4.4
56.88391	0.8
56.96556	2.0
57.03424	1.6
57.07069	1.0
59.11436	1.0
60.43308	0.8
62.88364	0.8
63.22823	1.0
65.03953	4.9
67.05499	7.1
69.03429	18.8
69.07054	2.0
70.84321	2.7
71.04990	1.4
79.05498	8.1
79.68425	0.9
81.07050	10.1
83.04978	16.4
83.08604	1.7
85.02879	1.2
91.05479	16.9
93.03394	4.1
93.07048	12.4
95.04963	5.3
95.08589	3.0
97.02900	7.5
97.06496	1.3
98.97581	3.6
103.05463	1.2
105.07043	13.1
107.04963	2.5
107.08601	15.6
109.02881	22.9
109.06526	13.0
109.10155	5.9
111.04445	7.0
111.05080	1.2
111.08041	1.1
113.05889	1.0
114.25356	1.0
115.05453	3.0
117.07009	8.1
119.07793	1.7
119.08585	19.1
120.08141	1.4
121.02873	3.0
121.06509	20.9
121.10149	6.7
123.08054	2.2
125.05996	1.3
128.06235	2.4
129.07022	6.9
130.07791	1.6
131.08586	19.1
132.05699	2.4
133.06483	1.1
133.10146	13.7
135.04388	1.1
135.07115	1.9
135.08060	26.3
137.05984	8.8
137.09613	3.9
139.03906	2.8
141.06975	2.6
142.07764	2.0
143.08551	10.9
144.05760	1.2
144.09363	10.4
145.06494	11.3
145.10129	13.8
147.08026	3.8
147.11728	1.5
149.08400	1.7
149.09622	23.8
150.10402	3.3
151.11235	5.4
153.07004	2.3
153.09085	2.6
155.08525	4.5
156.09283	2.3
157.06522	1.5
157.10120	6.3
158.07352	1.4
158.10901	13.7
158.99675	1.8
159.08073	11.3
159.11690	27.2
160.08795	2.1
161.09572	4.5
163.07553	20.4
163.11172	3.6
165.09117	2.3
167.08711	1.0
168.09338	3.0
169.10127	4.3
170.10895	5.6
171.08047	6.5
171.11702	1.2
172.08850	13.3
173.06012	2.1
173.09622	24.0
173.11758	1.9
173.13255	39.4
173.46744	1.0
175.07394	1.3
177.09123	1.5
181.06503	2.0
183.11671	9.6
185.09651	2.0
185.13271	4.3
186.10411	21.6
187.07597	2.7
187.11186	100.0
189.09094	2.4
191.07040	28.5
193.10201	1.6
196.08821	5.2
199.07458	2.0
201.12746	70.4
203.10789	1.1
203.14352	2.2
205.12224	8.6
211.11211	13.3
214.09961	2.5
219.13805	5.2
219.75302	1.7
229.12242	70.0
247.13303	68.1
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
54.15618	0.6
55.05529	0.6
56.96566	7.9
61.02906	0.6
69.03424	1.1
70.37176	2.1
70.75249	0.7
70.98106	1.5
70.99868	1.0
72.08161	8.9
76.51284	0.6
81.03410	0.9
82.99847	2.0
84.04490	1.3
84.96040	0.8
85.02919	1.6
86.09708	2.4
88.99155	1.4
90.32565	0.6
97.02882	1.3
98.97576	8.8
101.00885	22.5
103.00635	4.0
103.02402	0.7
110.97540	1.5
113.00842	1.1
115.02424	1.9
116.98608	3.3
119.01925	29.8
121.01653	4.2
122.12431	0.7
126.98796	1.4
127.03870	0.9
131.00198	0.7
131.01889	3.6
133.01678	0.7
133.03442	4.4
134.99657	0.9
137.02977	3.3
143.00159	1.1
143.01912	2.1
144.99821	3.4
145.01636	1.7
145.03429	0.9
146.99673	1.7
147.01419	1.0
147.03244	1.8
148.06046	2.1
149.01225	1.0
157.01714	1.5
158.99681	1.8
159.03241	1.6
161.01225	0.9
161.02957	3.2
163.02713	1.8
165.00751	1.1
167.03242	1.2
168.99855	3.9
169.01492	1.1
172.99454	0.9
173.02939	1.5
175.02769	1.8
177.00841	0.9
179.02159	1.3
182.99704	1.2
186.99287	0.9
187.00916	9.1
187.02707	4.7
189.99861	0.7
191.04008	0.9
193.00208	1.1
196.99323	3.8
197.00969	0.8
199.02768	2.1
201.00723	1.3
201.02461	3.7
205.00256	2.0
205.01981	2.7
205.03813	1.8
215.00381	14.3
215.02298	1.3
219.03542	1.9
223.01286	1.4
223.04890	1.7
224.03911	0.8
229.03264	25.5
229.11906	1.0
233.01430	1.7
247.04308	100.0
247.12971	2.0
265.04126	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09721	0.6
56.04385	0.5
56.96568	29.0
57.03437	0.7
65.46391	0.8
67.05490	0.8
68.45988	0.6
69.03408	0.9
69.07058	2.0
70.06585	2.6
70.08661	2.7
70.98125	59.4
71.62976	0.8
72.08154	1.8
73.02890	0.6
74.97604	4.7
81.03420	1.2
81.07070	0.9
84.04522	0.8
85.02911	2.0
85.06541	0.9
86.09708	10.6
86.97592	1.0
88.04004	4.2
88.99164	39.9
90.86103	0.6
94.78964	0.7
96.08151	1.1
97.02900	0.7
97.06547	0.7
98.21440	0.5
98.97585	12.8
98.98450	2.6
100.99129	0.9
101.75789	0.6
107.00204	6.5
110.02478	0.7
110.97573	1.6
112.00745	0.6
116.98631	4.4
118.08647	0.7
119.00136	0.7
119.01967	0.8
121.10200	0.6
124.07601	4.2
127.03896	0.9
128.98615	40.6
132.10190	3.6
134.99628	0.7
137.06046	0.6
141.10231	1.8
146.99658	100.0
157.03465	0.7
158.04393	0.8
158.99625	1.4
165.00728	64.8
166.08638	1.1
170.01277	2.1
173.02234	1.0
174.99184	0.8
179.02338	0.8
182.99738	0.9
183.00017	1.0
183.01762	6.3
184.09747	0.7
186.99104	4.7
187.07605	0.7
187.10858	1.4
188.02350	1.9
188.08232	0.8
191.11841	1.8
201.00694	1.0
201.12329	4.8
203.10690	0.9
205.00218	61.1
212.09207	1.1
219.01695	1.5
223.01263	43.0
228.01860	1.9
241.02386	0.9
247.01315	4.2
247.04123	0.8
247.09813	0.8
247.13087	2.0
248.12738	1.2
265.02353	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	245.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.5
57.07061	3.7
67.05508	9.2
69.06754	1.5
69.07065	12.4
79.05492	6.6
80.94841	2.5
81.06647	1.7
81.07054	19.1
83.08619	8.9
85.01012	1.3
91.05512	6.5
93.07049	12.3
95.08615	25.8
97.10165	5.0
105.07037	14.7
107.08586	19.5
109.10159	19.9
119.08582	17.6
121.10147	18.0
123.11711	9.7
133.10107	9.9
135.11681	15.5
137.13234	6.4
147.11705	9.3
149.13257	21.5
161.13261	12.3
163.14806	18.4
175.14819	21.5
187.14819	2.9
189.16379	19.4
192.21594	1.3
203.17992	8.2
245.18910	3.1
245.22652	100.0
265.20914	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1862
Annotation	Ile Ile
Peak:m/z	Relative Intensity
55.05518	0.2
56.96560	0.5
57.03456	0.3
61.54552	0.2
67.05508	0.2
69.03439	0.3
69.07069	1.0
69.59779	0.5
69.60205	0.8
70.06602	0.3
72.08176	0.4
72.93772	0.3
79.05483	0.3
81.07058	0.4
82.58810	0.2
85.02900	0.2
85.06566	0.2
86.09710	100.0
91.05478	0.7
93.07070	0.2
95.08598	0.2
97.02859	0.3
98.20860	0.3
98.97585	1.3
107.08599	0.4
116.98598	0.4
121.10166	0.3
132.10197	3.3
134.99759	0.2
142.03204	0.3
158.99678	0.5
171.03293	0.2
172.97658	0.4
173.55031	0.2
190.98628	0.2
199.18068	1.7
211.31305	0.2
224.09320	0.3
224.99718	0.2
227.10760	0.2
227.17691	0.2
245.18633	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	245.1861
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
55.05505	0.2
56.05025	0.2
56.96563	3.3
57.03440	0.5
57.05819	0.2
57.07080	0.9
58.06608	0.3
59.05014	0.2
61.02934	0.3
67.05487	0.3
67.36407	0.2
69.03436	1.2
69.07069	11.0
70.02724	0.7
70.98125	0.3
73.02916	0.3
79.05489	0.3
81.07056	0.3
83.64417	0.2
84.96003	0.2
85.02913	0.8
86.09707	100.0
87.04471	0.7
91.05464	0.2
95.08626	0.3
97.02898	1.4
97.06528	1.0
98.97585	8.5
99.61462	0.2
110.97585	0.6
112.99132	0.5
115.03939	0.5
116.98629	2.9
119.01900	0.2
125.01793	0.2
127.00661	0.3
128.98561	0.4
132.10202	1.9
134.99654	1.1
140.02321	0.4
141.02235	2.1
142.03235	0.2
143.00142	0.4
146.02325	0.4
153.02211	1.1
158.02289	0.2
158.99652	0.6
159.03325	0.7
159.80460	0.2
167.02853	0.5
170.99696	0.6
171.03296	5.4
171.97974	0.2
176.03403	0.2
177.00764	0.2
182.99626	0.2
185.56807	0.2
189.00711	0.4
189.04343	3.4
194.04738	0.2
195.15730	0.2
199.18018	0.9
201.00682	0.5
204.06459	0.5
213.04353	0.8
213.07045	2.1
213.57104	0.2
215.05927	0.3
219.01747	0.5
222.07445	0.9
227.18204	0.4
231.05371	0.9
233.06749	0.3
245.06953	1.6
245.18622	6.2
249.02719	0.3
255.07088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1385
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
55.01875	23.2
55.05515	64.0
56.96566	44.6
57.03438	13.7
57.07065	8.3
57.59799	4.2
61.02927	5.9
62.09425	5.0
67.05507	57.2
69.03435	23.5
69.07071	41.9
69.63841	22.7
71.04980	11.1
72.93799	4.9
79.05491	28.0
81.03415	10.7
81.07062	53.0
83.04982	38.8
83.08628	9.7
85.02919	26.9
85.06560	32.1
86.09700	16.9
87.00837	20.1
91.05499	26.1
93.07043	77.8
95.04968	9.6
95.08615	65.9
97.02888	16.9
97.06533	45.7
97.10172	39.3
98.20799	9.4
98.97600	59.8
99.04446	30.9
101.06026	6.5
105.01862	5.8
105.07037	51.5
107.08609	100.0
109.02885	5.9
109.06516	16.2
109.10168	12.4
111.08078	11.1
113.06000	11.4
113.09694	5.4
115.05464	5.6
116.98644	11.6
117.07030	14.7
119.01825	5.6
119.08619	24.3
121.06540	25.8
121.10143	62.7
123.08087	58.0
125.09626	10.2
127.03966	5.6
127.31602	4.5
128.06209	5.4
129.06990	7.1
131.08592	10.2
135.08066	14.5
135.11697	17.9
141.09109	22.4
142.03258	13.1
143.08580	6.4
145.10110	44.0
147.11717	8.2
149.01245	5.7
149.09645	16.9
149.96057	6.8
151.07567	13.3
152.06206	5.2
156.03682	6.2
157.10204	7.7
158.99652	10.9
159.08055	5.8
161.09673	5.4
163.11176	94.1
167.10680	35.2
169.08600	86.0
171.08023	5.7
171.11742	5.4
173.09628	10.7
177.00758	6.3
181.12254	44.0
185.11729	19.6
185.13214	10.4
189.00725	6.6
190.98686	7.2
191.10677	68.2
201.00684	5.6
208.99747	11.2
209.11725	37.6
219.01790	6.4
224.08032	24.5
227.12666	30.7
233.08754	7.0
237.03201	4.9
241.07452	7.1
245.04572	5.7
245.08295	11.0
245.11916	11.0
245.15443	19.4
245.19029	15.1
249.02754	8.0
257.35379	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	245.1384
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
53.03946	1.4
55.01877	6.4
55.05512	71.5
56.96551	2.4
57.03438	23.9
57.07073	1.6
59.04987	2.2
62.68502	0.8
67.05507	24.0
69.03136	0.9
69.03432	9.0
69.07063	11.5
71.04987	1.7
71.26785	1.5
74.36434	0.9
77.01588	1.0
79.05496	20.2
81.03377	0.8
81.07058	21.8
83.04984	6.4
83.08622	44.7
85.02954	0.9
85.06525	2.5
85.63788	0.7
87.04467	0.9
90.94837	1.0
91.05482	5.9
93.07043	9.0
95.04991	1.0
95.08618	4.0
95.46474	0.9
97.10174	93.7
98.97571	2.5
101.09660	2.2
105.07032	5.8
107.08598	27.0
109.06545	2.1
109.10181	5.9
111.08069	3.1
116.98624	1.3
117.07022	5.2
119.08604	5.3
121.06429	0.9
121.10155	1.7
123.11682	1.3
125.09635	90.5
129.07011	1.6
131.00151	0.9
131.08560	3.4
133.10103	3.4
135.08038	8.5
135.11617	1.4
142.07751	1.1
143.08525	2.3
143.10735	4.7
145.10170	6.6
147.11676	2.1
149.01256	2.3
149.09547	0.8
153.09131	6.6
153.10277	1.2
157.10120	2.6
159.11693	3.0
161.09669	1.0
161.13213	1.5
163.11232	1.1
171.08014	0.8
171.10153	8.3
171.11676	2.2
173.13193	1.4
178.88409	0.8
185.13245	2.2
187.13286	1.3
187.14780	6.1
189.11229	90.1
190.11624	0.8
203.14337	1.2
224.08067	1.6
227.12767	17.2
227.17938	4.1
244.59700	3.0
245.13828	100.0
245.19008	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	245.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09451	0.8
53.03941	1.2
55.01868	6.8
55.05511	56.8
56.96301	0.8
56.96566	10.0
57.03438	22.6
59.05003	1.9
61.42557	0.9
67.05507	21.5
69.03426	7.8
69.07072	11.4
69.22916	7.6
71.05008	1.5
79.05070	1.2
79.05499	20.6
81.03421	1.1
81.07054	18.4
83.04974	5.6
83.08618	37.5
83.09119	1.8
85.02878	1.1
85.06532	2.5
86.09679	1.3
87.04459	1.0
91.05482	6.2
93.07048	10.2
95.04958	1.4
95.08598	4.5
97.02844	1.3
97.06513	2.4
97.10169	79.0
98.97559	2.0
101.09643	2.2
105.07027	7.4
107.04980	0.9
107.08591	21.4
109.06518	1.8
109.10175	4.7
110.97562	1.1
111.08083	3.0
117.07025	5.3
119.08566	4.0
121.10118	5.3
125.09631	81.0
128.06157	1.2
129.07018	1.6
131.00150	1.7
131.08566	2.9
133.06468	0.9
133.10109	4.5
134.04877	1.4
135.08081	7.1
135.11688	1.5
139.11198	1.0
142.04617	1.0
143.05389	2.5
143.08514	1.7
143.10672	4.1
145.10182	4.0
147.08057	2.3
147.11684	2.2
148.04634	2.3
149.01205	2.5
149.96051	1.1
153.09097	5.6
157.05159	3.4
157.10114	1.5
158.99574	1.0
159.11699	2.8
161.09619	1.9
163.11217	1.4
164.57930	0.8
165.07523	0.8
166.05745	7.1
168.55911	1.3
169.08865	0.9
171.10201	10.0
171.11641	1.9
171.83452	0.9
173.13197	1.1
174.08049	2.5
175.11279	1.5
183.08559	6.4
183.58719	1.6
185.13214	2.3
189.11217	72.8
190.11600	1.0
192.09085	9.8
192.59291	1.9
194.59361	1.2
201.09610	4.4
203.59834	1.9
212.60345	1.4
224.07945	1.1
224.58008	0.8
227.12752	17.3
227.17973	2.2
244.59846	4.6
245.13820	100.0
245.18988	14.7
246.24277	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0955
Annotation	Benzo[c]phenanthren-2-ol
Peak:m/z	Relative Intensity
50.87421	1.1
50.90657	1.2
53.03949	1.4
55.01861	1.8
55.05503	4.3
55.93524	2.8
56.33407	1.5
56.96558	10.3
57.03435	1.8
58.99590	2.8
61.02912	2.2
65.03947	10.2
67.05502	5.2
68.05019	3.0
69.03422	4.5
69.07066	2.9
69.80018	8.3
70.02979	1.5
70.06581	4.2
72.08148	3.2
72.93793	12.9
73.02926	2.3
76.02235	1.8
79.05480	6.5
81.03419	2.3
81.05788	1.5
81.07066	6.9
82.06602	2.8
83.04998	2.5
84.04507	5.2
84.08144	31.0
84.96030	1.8
85.02911	6.4
86.06068	2.1
86.09707	2.7
86.99078	2.6
87.04471	2.5
88.04019	1.4
89.94073	1.6
90.94826	14.8
91.05482	4.5
93.07052	2.9
94.04202	2.7
94.06577	2.6
95.05003	3.0
96.08140	17.7
97.01110	3.9
97.02898	5.4
97.06496	1.5
98.97591	8.1
99.02683	26.3
99.75522	1.4
100.02223	1.6
100.11261	5.4
101.00881	3.3
102.05541	1.5
105.07072	1.7
106.06527	2.1
108.08125	6.1
108.95861	2.5
109.06555	1.7
109.08891	2.2
110.97604	1.6
113.03499	2.6
113.96435	3.8
114.05534	1.7
115.03928	1.9
116.01698	7.9
116.05296	2.4
116.98627	4.3
117.03687	1.3
119.01925	5.4
124.07595	100.0
125.04214	25.5
129.10291	1.4
130.05038	4.8
131.01920	3.7
131.08441	1.3
137.05972	1.9
138.09169	1.3
139.07587	1.3
142.06868	24.2
143.01945	4.0
145.03470	2.7
149.01265	1.7
149.96103	10.8
153.03722	1.7
153.05525	1.6
155.01921	1.7
156.04791	13.0
157.03488	3.2
159.03348	1.5
161.02994	6.8
162.02263	4.1
166.78143	1.5
167.97163	12.6
172.97688	13.9
173.02960	3.1
175.04491	1.6
182.11737	1.5
184.09717	2.4
185.03000	4.1
190.98790	5.6
197.03047	1.8
198.95757	1.7
199.09033	7.8
201.12442	5.6
202.95284	3.1
203.02339	2.9
203.04077	3.6
219.28404	1.5
227.14078	2.1
228.06903	8.4
229.00177	1.4
245.05164	10.0
245.09627	98.1
245.15083	5.0
245.18726	3.2
263.06250	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
56.96565	73.4
57.03427	4.4
58.99858	4.1
60.08162	1.7
61.02930	6.0
68.98281	2.6
69.03433	7.6
70.06580	3.6
70.98122	11.8
70.99835	3.5
71.05019	1.9
71.55431	2.1
71.95268	10.3
72.96026	4.1
73.01416	1.2
73.02924	5.8
74.00237	1.8
74.97602	3.2
77.00911	2.9
81.03412	3.1
81.07025	1.9
82.99819	6.8
84.04498	1.7
84.08142	3.5
84.96042	7.9
85.02900	8.9
86.03234	1.3
86.99326	2.2
87.50691	1.1
88.99138	5.2
89.00876	2.6
90.94802	1.5
91.02445	2.8
97.01388	1.8
97.02890	11.0
98.97585	63.5
101.00884	67.8
102.60684	1.2
102.96902	2.5
103.00615	2.7
103.02410	1.5
104.01225	1.3
104.10754	23.3
105.00370	1.9
109.02859	2.9
110.01282	4.1
110.97549	7.9
112.05103	19.7
112.99153	2.3
113.00870	9.7
113.03497	22.2
113.04753	2.2
113.05435	13.9
115.02453	7.0
115.03983	1.6
116.07050	1.6
116.98624	32.2
117.03968	2.0
118.01013	1.4
119.01920	100.0
120.01992	1.8
120.97962	2.4
121.01663	5.7
124.95511	9.1
126.97003	3.5
127.02404	8.0
127.03913	1.6
128.98598	10.1
129.00331	2.8
129.03996	3.2
131.00179	4.5
131.01906	28.5
133.00717	2.2
133.01666	1.6
133.03485	14.3
133.05049	1.6
134.99661	12.4
135.03207	2.5
136.52608	1.3
137.00824	3.0
137.02992	11.3
139.02412	6.1
140.00229	1.4
140.02391	2.2
140.98587	4.4
141.03992	1.5
142.01765	1.5
142.03467	2.1
142.96518	9.8
143.00195	1.5
143.01898	32.9
144.98114	7.0
144.99788	2.3
145.01694	2.6
145.03467	28.7
146.99619	6.4
147.01372	3.7
147.05006	2.4
148.97736	1.3
149.01222	7.4
149.02942	5.1
149.96101	1.5
151.04497	6.0
152.94922	1.7
155.01874	30.9
155.03076	2.3
156.02481	1.2
156.53836	1.5
156.98114	2.0
157.03481	27.3
158.99640	8.0
159.01405	2.1
159.03212	1.6
159.05023	6.3
160.97574	4.3
161.02959	53.3
161.98312	1.4
162.03026	1.5
162.99178	6.9
163.00861	1.8
163.02748	3.6
163.04550	6.0
163.05708	1.3
165.00677	4.1
167.01881	20.7
169.01976	2.2
169.03453	5.6
170.03333	4.1
170.96025	12.0
171.05089	5.7
172.97650	2.7
173.01404	2.4
173.02948	34.6
174.01006	1.3
174.99103	9.2
175.04515	12.8
177.00691	8.5
177.02463	5.7
177.04074	2.4
177.05992	1.7
178.04691	1.9
179.01869	7.7
179.03897	3.3
181.00163	2.4
181.03416	1.7
182.51855	1.4
182.98904	2.7
183.01437	2.3
184.04614	2.7
184.97632	6.8
185.02950	91.8
187.04472	12.6
188.97076	36.0
189.00676	3.2
189.02402	2.5
189.06055	2.1
190.98653	2.8
191.02310	2.4
191.04068	4.4
191.99417	2.7
193.00208	11.2
195.01750	2.6
195.03461	2.9
197.02963	26.7
199.04614	5.7
200.04227	2.0
201.00737	1.5
201.06073	3.4
202.98630	14.5
203.02258	2.2
203.03998	31.4
204.02650	2.4
205.00276	1.6
206.05667	1.8
206.98119	13.3
207.01715	1.4
208.04485	2.0
209.00002	1.4
211.01259	1.7
213.02277	1.4
215.04007	11.1
217.05559	2.8
219.07127	1.4
220.97745	1.8
220.99677	12.8
221.03177	2.7
221.05057	12.8
222.00838	2.0
222.03638	4.7
226.05605	1.6
227.00381	1.2
227.04025	9.9
227.07568	1.4
230.98096	5.5
232.99753	1.3
233.05026	2.7
239.00690	2.2
244.57237	1.4
245.05058	84.3
245.09087	2.3
245.11783	1.9
248.99181	1.8
263.00717	1.5
263.06158	4.7
263.10495	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53998	0.2
53.12141	0.2
56.96554	0.3
59.21888	0.2
60.95852	0.4
68.98274	0.2
69.03408	0.5
71.54855	0.2
75.94530	0.2
81.03406	0.3
82.99809	0.9
84.99585	0.3
86.99291	0.3
97.02858	0.7
97.99072	0.2
98.97588	2.0
99.04452	0.3
100.97134	0.3
101.00881	9.1
102.00960	1.0
102.96869	5.0
103.00040	0.2
103.00647	2.8
103.01292	0.4
113.00867	0.8
115.02436	0.8
116.98657	0.9
118.98612	0.3
119.01920	12.9
120.02008	1.8
120.97900	2.3
121.00858	0.4
121.01666	4.5
121.02456	0.3
124.97585	0.2
127.02419	0.5
127.03986	0.4
129.00323	0.2
129.04005	0.3
131.01915	2.4
133.03450	0.8
134.99660	0.3
136.99634	0.5
137.02936	1.4
138.03029	0.4
138.98927	0.6
139.02507	0.9
142.03441	0.5
142.98560	1.1
143.00185	0.3
143.01892	4.8
143.03583	0.4
145.03461	1.9
147.01254	0.2
149.06563	0.2
155.01894	1.4
157.03467	3.2
158.99850	0.3
159.01451	0.2
159.04996	0.2
160.00052	0.3
160.99654	3.7
161.02957	11.7
162.03065	0.7
167.01921	0.4
167.99432	0.2
169.03461	0.7
170.48769	0.2
171.05058	0.3
173.02940	2.6
175.04521	2.8
177.00908	0.7
177.02707	0.7
177.09746	0.3
178.01045	0.6
179.00713	17.9
179.03964	0.7
179.49405	0.7
180.00977	0.2
180.04007	0.4
181.03436	0.3
181.49907	0.2
181.99684	0.3
184.99606	1.0
185.01337	0.4
185.02946	4.5
187.04544	1.5
189.06123	0.3
190.50333	0.6
190.80304	0.2
191.00195	0.7
191.04001	0.7
197.02989	0.9
198.94223	0.3
198.96745	0.2
199.00885	0.4
199.02792	0.2
199.04527	1.0
201.02792	0.3
202.02412	0.2
203.00713	2.8
203.03981	4.6
203.05684	0.2
204.99438	0.3
213.99974	0.2
214.95557	0.3
215.03995	1.5
215.95830	0.3
216.95253	0.9
217.05508	0.6
219.01965	0.7
219.03873	3.0
220.02087	0.5
221.01764	23.6
222.02010	1.2
227.00537	2.0
227.03964	1.5
230.48779	0.2
233.05098	0.9
234.96317	0.4
236.00552	0.3
239.96823	0.5
244.03354	0.2
245.01816	11.5
245.05043	9.8
245.12401	0.9
257.96851	0.2
261.03033	0.8
263.02869	100.0
264.03107	1.0
265.03149	0.3
268.03586	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10640	0.3
56.96555	0.8
58.59949	0.2
65.08331	0.3
69.92847	0.8
72.67107	0.2
82.99845	0.7
87.39214	0.2
98.97591	3.0
99.59566	0.2
99.97922	0.5
100.07590	0.3
101.00882	8.2
102.00961	2.7
103.00617	0.3
116.98616	1.3
117.98930	0.6
118.70860	0.3
119.01924	19.1
120.02011	5.0
121.01673	0.9
124.02480	0.4
134.99684	0.5
135.99960	0.5
137.02966	3.7
138.03055	0.8
140.98845	0.3
141.98915	1.1
142.03506	2.9
143.01898	0.5
158.99837	0.4
159.99998	2.8
161.02957	7.0
177.00946	2.9
178.01044	16.9
179.00665	1.5
179.04013	7.4
179.95435	0.3
184.00038	0.5
184.04547	0.9
184.07236	0.3
185.03021	0.5
187.92160	0.3
202.01022	3.4
202.05487	0.6
203.00659	0.4
203.04051	1.0
218.04216	2.8
219.02005	2.5
220.02116	23.3
220.94226	0.5
221.01704	6.1
221.05048	1.1
226.00977	2.1
235.00832	0.4
238.98315	1.2
243.03894	0.4
243.95680	0.3
244.02087	11.1
245.05000	1.1
262.03201	100.0
263.02881	5.7
264.03525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1593
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
53.03938	5.9
55.01856	6.0
55.05272	2.1
55.05511	27.8
56.96555	3.3
57.03416	5.7
57.07073	3.0
59.05004	22.8
61.02917	3.0
65.03892	2.2
65.34804	1.4
67.05506	55.8
68.99802	1.6
69.03416	3.3
69.07066	25.0
69.73277	8.4
71.00681	1.4
71.01334	4.8
71.04993	43.4
73.06554	3.1
73.73313	1.3
79.05491	51.3
80.27971	1.3
81.03416	37.9
81.07059	74.8
83.04980	16.6
83.08624	13.9
85.02885	5.3
85.06545	11.9
87.04465	9.1
87.04907	1.3
91.05482	67.3
93.06486	2.4
93.07044	42.0
95.04975	18.7
95.08059	2.4
95.08610	32.7
97.02874	2.9
97.06529	18.7
97.10158	3.4
98.21430	2.6
98.97562	5.6
99.04430	2.1
99.08067	2.5
105.07036	38.9
107.04932	5.8
107.08597	48.7
109.06514	12.9
109.10158	7.6
111.04449	3.1
111.08092	11.0
113.06022	7.4
115.05440	3.2
116.98598	2.1
117.06972	2.0
119.08579	28.3
121.06491	2.3
121.10135	32.7
123.08076	10.5
123.11672	6.3
125.05998	2.2
125.09627	1.9
127.07504	3.8
129.07016	15.8
131.00110	1.8
131.08571	30.6
133.06448	3.4
133.10136	46.0
135.11664	2.8
137.09615	2.3
137.13165	1.6
139.11118	1.7
142.07779	3.2
145.10126	4.5
147.08037	5.6
147.11684	57.8
149.01212	2.1
149.09627	47.1
149.13234	3.9
151.11157	4.8
156.03537	2.3
157.10129	32.0
158.99635	2.6
159.11594	3.2
165.12813	7.1
167.10680	9.7
173.13271	2.0
175.11192	35.2
177.00737	2.0
179.14326	3.8
181.12196	2.5
187.14760	1.9
193.12242	49.7
197.15392	23.1
199.13197	7.3
207.13824	2.4
211.13300	37.2
225.14854	100.0
243.06503	2.6
243.08673	13.7
243.15787	2.9
243.21040	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	243.1592
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
53.90578	1.2
55.01865	3.7
55.05262	2.1
55.05511	20.2
56.96574	1.5
57.03437	7.4
62.13985	1.1
65.03964	1.2
67.05508	22.7
68.71921	1.1
69.03413	3.8
69.07074	7.3
70.28127	3.2
71.04975	4.5
79.05500	20.1
80.38770	1.1
81.03419	69.4
81.06588	1.7
81.07057	29.5
83.04981	21.7
83.08619	27.7
83.21739	1.2
85.02904	12.2
85.06528	2.9
91.05490	23.5
93.07062	11.7
95.04973	24.0
95.08614	8.3
97.02880	3.4
97.06525	4.4
97.10165	4.3
98.97561	1.7
99.08053	1.4
105.07037	19.6
107.04977	5.7
107.08586	7.7
108.08146	1.1
109.06515	6.5
109.08490	1.4
109.10160	3.5
111.04438	3.0
111.08073	12.4
117.06995	3.1
119.08572	16.2
121.10165	6.7
121.10981	1.2
122.06062	1.5
123.08076	3.2
123.11707	2.5
125.09661	1.5
129.07008	9.0
131.08583	9.7
133.06470	2.9
133.10130	10.9
136.07539	2.1
137.07919	2.9
137.09610	2.6
142.07767	2.6
145.10103	2.4
147.08070	3.3
147.11688	15.8
149.09619	5.4
151.11185	2.0
157.10135	12.1
159.08015	1.8
165.12782	4.9
174.04575	2.0
175.11191	21.9
177.14688	3.1
183.11639	1.3
191.74382	1.1
193.12247	100.0
211.13295	96.7
225.14845	15.7
239.05746	1.3
243.11615	21.1
243.13962	1.6
243.17549	3.6
243.20857	5.0
243.28879	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	243.1592
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
53.03938	2.6
55.01867	3.4
55.05265	1.7
55.05511	20.7
56.96558	3.7
57.03438	7.0
57.07067	1.1
58.52986	1.2
61.77490	1.1
65.03921	1.3
67.05501	21.0
69.03416	4.6
69.07061	7.8
70.30022	2.2
70.30370	3.1
71.04980	4.7
79.05497	17.9
81.03414	68.1
81.07059	25.5
83.04975	19.5
83.08618	23.9
85.02905	9.1
85.06539	2.5
91.05482	21.7
93.07050	14.8
95.04965	25.3
95.05568	1.9
95.08089	1.5
95.08599	8.3
97.02891	2.4
97.06528	4.9
97.10183	6.2
98.97590	2.6
99.08075	2.2
105.07029	16.8
107.04955	5.2
107.08601	8.0
109.06554	5.6
109.10168	3.7
111.04440	3.5
111.08074	13.0
117.07004	2.2
119.04916	1.3
119.08581	16.0
121.06506	2.5
121.10156	8.9
123.08064	2.8
123.11694	2.3
125.05988	1.7
125.09592	1.4
129.06989	10.0
131.08571	11.3
133.06520	2.4
133.10127	12.5
137.09631	1.5
142.07793	1.7
142.15915	2.0
145.10204	3.1
147.08052	3.9
147.11667	16.1
149.09625	4.8
151.11215	2.4
157.10141	14.5
163.11038	1.2
165.12776	4.0
169.10109	1.3
175.11206	19.0
184.20566	1.4
185.13197	1.3
187.13434	1.5
187.97595	1.1
193.12241	100.0
211.13287	91.7
211.82306	1.4
225.14801	15.6
225.16592	1.6
242.28445	1.3
243.13818	1.9
243.15747	1.9
243.17786	1.8
243.21133	2.0
243.28719	16.4
244.09610	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90578	1.2
55.01865	3.7
55.05262	2.1
55.05511	20.2
56.96574	1.5
57.03437	7.4
62.13985	1.1
65.03964	1.2
67.05508	22.7
68.71921	1.1
69.03413	3.8
69.07074	7.3
70.28127	3.2
71.04975	4.5
79.05500	20.1
80.38770	1.1
81.03419	69.4
81.06588	1.7
81.07057	29.5
83.04981	21.7
83.08619	27.7
83.21739	1.2
85.02904	12.2
85.06528	2.9
91.05490	23.5
93.07062	11.7
95.04973	24.0
95.08614	8.3
97.02880	3.4
97.06525	4.4
97.10165	4.3
98.97561	1.7
99.08053	1.4
105.07037	19.6
107.04977	5.7
107.08586	7.7
108.08146	1.1
109.06515	6.5
109.08490	1.4
109.10160	3.5
111.04438	3.0
111.08073	12.4
117.06995	3.1
119.08572	16.2
121.10165	6.7
121.10981	1.2
122.06062	1.5
123.08076	3.2
123.11707	2.5
125.09661	1.5
129.07008	9.0
131.08583	9.7
133.06470	2.9
133.10130	10.9
136.07539	2.1
137.07919	2.9
137.09610	2.6
142.07767	2.6
145.10103	2.4
147.08070	3.3
147.11688	15.8
149.09619	5.4
151.11185	2.0
157.10135	12.1
159.08015	1.8
165.12782	4.9
174.04575	2.0
175.11191	21.9
177.14688	3.1
183.11639	1.3
191.74382	1.1
193.12247	100.0
211.13295	96.7
225.14845	15.7
239.05746	1.3
243.11615	21.1
243.13962	1.6
243.17549	3.6
243.20857	5.0
243.28879	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	243.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40381	1.2
51.70313	1.1
55.01870	7.8
55.05511	9.9
57.03430	2.7
59.05001	1.4
63.08468	1.0
63.13307	1.2
64.17902	1.1
67.05505	28.6
69.03413	1.6
69.07074	13.2
71.04987	3.4
71.26729	1.7
73.06545	2.3
78.59242	1.2
79.05501	13.8
81.03403	1.3
81.07057	90.0
83.04974	6.6
83.08629	6.5
85.06549	5.5
91.05484	25.2
92.28954	1.0
93.07043	11.5
95.04963	3.2
95.08604	16.2
97.06534	10.6
99.08088	5.5
101.06080	1.2
105.07034	33.4
107.08591	14.1
109.06515	5.1
109.10130	1.4
111.08097	1.4
117.07038	1.4
119.08586	27.8
121.10150	22.5
123.08080	3.7
123.11714	27.7
127.07513	2.3
129.07002	3.0
131.08609	2.4
133.10133	5.2
136.19289	1.0
137.13255	4.3
141.09100	1.2
145.10080	1.5
147.11690	100.0
148.69803	1.1
155.10710	1.8
157.10083	5.1
165.12759	78.2
175.11156	7.5
175.39003	1.1
181.04881	1.3
193.12254	14.6
197.15384	14.5
211.13304	2.4
219.65955	1.0
229.14340	8.4
243.15970	3.1
243.28856	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	243.0866
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
50.03276	1.4
53.03932	5.3
55.01865	3.1
55.05523	3.7
56.96571	14.6
57.03442	7.2
57.07051	1.6
61.02928	13.0
65.03944	10.6
67.05495	6.7
68.99822	1.7
69.03432	10.2
69.07045	5.6
70.06582	4.5
71.55656	2.9
72.08149	2.2
73.02905	4.8
79.05493	8.5
81.03414	7.9
81.07049	9.9
83.04982	2.6
83.08640	2.4
84.08134	6.0
84.96055	2.4
85.02905	14.4
86.09709	3.6
87.04449	1.9
91.05477	22.2
93.03393	4.0
93.07043	3.5
93.58232	1.8
95.04969	19.2
95.08602	3.0
97.02879	17.3
97.06524	6.1
98.97584	27.6
99.04430	3.5
99.08084	3.3
105.03407	3.0
105.04552	1.9
105.07036	5.0
107.04955	10.5
107.08580	1.7
109.02851	2.6
109.06522	18.7
110.03622	4.7
110.97569	3.7
111.04425	6.8
113.62189	1.5
116.98624	13.1
117.06959	1.8
119.04952	8.4
119.08563	3.9
121.06519	2.3
121.10127	2.3
122.03625	1.9
123.03681	2.1
123.04437	19.8
123.08055	3.0
124.07539	2.5
125.02324	8.7
125.05999	8.0
126.09191	2.6
127.03921	3.2
128.98592	4.0
131.00156	1.7
131.04945	1.9
131.08604	1.9
132.04388	1.7
133.02847	11.9
133.10133	2.7
134.99646	4.0
135.04395	6.7
137.01855	2.2
137.05989	24.9
138.03183	2.2
139.52876	1.7
140.04688	100.0
142.02614	3.8
143.00168	3.0
143.54013	1.6
146.99715	2.3
147.04366	7.4
147.11700	1.6
149.09488	2.1
151.03908	4.6
152.04672	2.2
153.05434	4.0
153.06645	1.5
155.07034	90.5
158.99670	9.5
159.03171	2.7
161.13335	2.3
162.99081	2.0
163.03932	4.1
165.05498	22.6
165.09129	2.3
167.06958	2.2
169.04985	8.6
170.99664	1.8
171.06528	4.9
173.01259	2.0
173.08150	7.3
177.00705	6.9
179.07065	12.2
179.10747	2.9
180.04176	18.1
181.04959	76.9
183.06554	2.8
189.00658	1.6
189.05533	2.2
192.03847	2.0
193.00354	1.6
193.04971	27.5
195.06534	15.5
197.01289	2.4
197.02948	8.9
197.06230	2.3
197.08058	11.5
197.12895	2.0
201.00624	4.7
201.04202	2.1
203.07745	1.7
207.06537	29.4
207.10234	2.7
207.13684	2.1
208.05032	4.0
212.08539	3.5
213.07668	4.0
218.08089	1.6
219.01799	5.9
220.04549	4.7
222.04674	18.4
222.08316	3.2
222.54782	3.8
225.07579	26.1
231.05225	47.5
231.55269	8.8
235.99878	2.5
237.02899	4.1
242.55986	5.3
243.01752	1.6
243.06363	6.2
243.08597	26.0
243.11371	2.2
243.12166	2.9
254.01114	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	243.0864
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
50.92068	1.5
53.03942	4.7
55.01857	2.6
55.05503	3.1
56.96562	13.2
57.03439	6.6
60.47514	1.4
61.02934	12.3
63.51685	1.2
64.31156	1.3
65.03949	8.8
67.05494	5.7
69.03438	9.1
69.07056	3.8
69.38638	1.3
69.65516	8.0
70.06596	2.2
71.04967	2.7
72.08147	1.5
73.02902	3.9
76.56599	1.3
79.05498	11.9
81.03412	4.7
81.07067	11.1
82.04169	2.7
83.04987	2.3
83.08620	1.9
84.04497	1.6
84.08142	2.7
84.96020	2.6
85.02910	12.3
85.06540	2.1
86.09699	3.4
87.04476	1.5
91.04962	2.2
91.05486	23.7
93.03384	5.0
93.07019	3.2
94.04189	1.9
95.04963	15.6
95.08593	2.3
97.02876	14.0
97.06519	3.8
98.20786	1.5
98.97584	21.9
99.04429	2.9
103.05442	2.4
105.03363	4.7
105.04494	1.8
105.07007	4.4
107.04964	10.7
109.02876	1.5
109.06528	16.1
109.10191	2.2
110.03639	3.1
110.97570	3.9
111.04443	4.8
113.05958	1.6
115.03925	1.5
116.98655	9.7
117.06945	1.8
119.04928	8.1
119.08586	4.1
121.06483	3.0
121.10104	2.4
123.04446	18.3
123.08049	1.8
124.07581	1.5
125.02344	5.9
125.05967	4.1
127.03929	2.1
128.98584	2.3
131.00165	1.3
133.02846	11.2
133.10074	1.4
134.99675	2.5
135.04428	7.4
135.07999	1.4
136.05147	1.7
137.05977	27.2
138.03105	1.6
140.04688	93.7
143.00206	1.4
146.99661	2.1
147.04361	7.0
147.08044	2.7
147.11707	1.9
147.96756	1.3
148.02908	3.6
149.01201	1.9
151.03903	3.2
151.07549	2.3
152.04678	2.7
153.05464	3.7
155.00043	1.8
155.07033	100.0
158.99646	6.7
159.03178	2.4
161.01270	1.9
163.03915	4.1
165.05481	23.1
167.07010	3.9
168.03661	2.0
169.04938	4.9
169.06192	1.4
170.99577	1.4
171.06526	1.8
173.01241	2.4
173.08089	4.4
177.00685	4.2
178.03845	2.7
179.07048	16.9
180.04164	17.3
181.04956	73.6
182.05701	1.7
183.04436	1.8
183.06496	4.1
189.00659	1.5
193.03186	2.3
193.04987	23.8
193.12193	2.0
195.06528	16.8
197.02962	3.5
197.08073	15.9
201.00661	2.6
207.06516	27.5
207.13824	1.4
208.05029	7.9
213.07674	1.8
219.01778	4.4
220.04524	4.1
222.04642	14.8
222.08307	4.7
222.54854	3.0
225.07567	24.0
231.05200	32.7
231.55287	8.3
235.99881	3.2
237.02794	3.7
242.55975	3.5
243.01637	2.4
243.06462	3.3
243.08626	23.9
243.11342	2.7
254.01006	7.1
254.55453	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37355	1.3
53.62370	1.5
56.96567	8.5
57.03438	2.8
61.02921	2.4
64.01073	1.2
69.03426	3.6
70.40718	4.3
73.02908	2.9
73.26878	1.3
75.69736	1.1
82.01427	1.6
82.99858	9.0
84.96016	1.5
85.02905	4.9
96.05472	1.4
97.02905	4.6
98.09691	2.5
98.97582	12.6
101.00886	82.0
110.97589	2.1
113.00865	3.0
115.02426	16.5
116.98606	2.6
119.01923	100.0
124.02479	1.4
127.03942	2.5
128.02328	1.7
128.98540	1.4
131.01894	6.9
133.03473	96.1
137.02945	10.5
140.98570	1.6
142.03497	2.1
143.01912	1.9
151.04535	15.7
156.05107	1.4
157.03458	4.4
158.99683	4.4
161.03033	2.1
170.99760	1.6
173.02980	4.6
174.04507	1.5
175.04544	30.8
177.00743	1.7
177.02589	1.6
191.03972	1.8
193.05574	7.8
195.56221	1.4
196.00938	1.7
201.00858	2.8
201.02449	70.2
219.01845	5.0
219.03522	92.1
237.02757	2.4
242.04880	2.6
263.38885	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2164
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
51.14478	1.5
55.01867	2.4
55.05515	24.4
56.96557	2.5
57.03423	3.0
57.07077	10.3
59.04976	1.9
62.19661	1.3
65.03925	1.7
67.05170	2.5
67.05509	28.9
67.81564	1.5
69.03426	4.4
69.07067	28.5
69.69583	9.7
71.04991	12.3
71.08633	1.6
79.05492	17.3
81.03412	3.2
81.07058	51.5
83.04977	4.7
83.08622	15.5
85.02914	2.6
85.06546	100.0
85.10182	1.9
91.05483	9.6
93.07052	21.5
95.04953	4.4
95.08611	59.4
97.02873	3.8
97.06520	6.3
97.10171	9.1
98.76232	1.5
98.97592	12.8
99.04462	2.9
99.08105	16.1
105.07034	6.2
107.04962	16.9
107.08598	21.4
109.06499	3.0
109.10162	41.2
111.04429	6.8
111.08070	3.2
111.11727	3.0
113.09637	5.3
116.98624	6.9
117.07019	3.4
119.08578	3.8
121.06496	3.2
121.10122	19.7
123.11713	37.1
125.05999	1.9
125.09684	2.3
127.11169	4.2
129.06958	1.9
131.08545	6.0
135.08026	4.4
135.11700	15.4
137.13263	4.2
139.11189	2.3
141.12730	11.4
143.08554	1.8
145.06464	2.4
145.10103	6.2
147.04410	1.9
149.06003	2.1
149.09628	4.2
149.13235	13.5
151.14832	1.7
158.99719	2.1
159.11780	1.9
163.03929	3.1
163.07567	3.5
163.11188	5.8
163.14801	4.1
166.29109	1.8
167.07062	2.5
171.11646	2.5
173.09616	5.9
177.00780	3.0
177.16351	2.9
179.17914	2.1
185.13319	2.2
185.48695	1.8
191.10674	12.5
197.19072	1.6
199.07578	5.3
199.14815	2.5
205.12227	2.3
205.19562	11.7
209.11740	14.5
223.13286	7.6
223.16982	2.9
223.20601	10.0
227.12785	2.8
241.08621	6.4
241.12219	6.5
241.14355	6.1
241.19450	4.6
241.21603	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	241.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.3
55.05520	4.2
56.02655	1.3
57.07080	0.9
67.05508	23.9
69.07078	5.0
70.51975	1.6
71.04995	100.0
73.06557	0.6
79.05495	13.2
81.07057	35.9
82.94559	0.6
83.04988	2.3
83.08627	2.3
83.45377	0.5
85.06551	6.7
91.05485	8.3
93.07047	22.3
95.04987	2.1
95.08611	19.8
97.06526	4.1
98.97584	2.3
99.08111	2.3
105.07038	4.2
107.04951	1.0
107.08594	7.6
109.06522	1.8
109.10201	2.0
111.04457	0.8
111.08075	2.1
116.98662	1.4
117.07026	7.5
119.08615	2.0
121.06509	1.4
121.10173	3.3
129.07050	0.7
131.08569	7.7
133.10130	7.9
134.15291	0.6
134.99681	0.6
135.04495	0.9
135.08061	1.7
135.11696	17.3
143.08586	0.8
145.10127	2.0
149.09619	0.8
149.13271	9.0
157.10164	1.0
159.11700	19.0
163.04030	0.6
163.11212	2.4
167.07088	0.7
171.11765	1.4
177.12759	11.9
185.13292	1.0
199.14824	0.6
209.15355	3.9
213.16396	0.6
223.16862	1.0
227.12833	2.5
241.19778	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	241.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.05511	5.1
56.02649	1.3
57.07088	0.9
59.05003	0.9
65.03944	1.5
67.05505	22.6
69.07056	4.8
71.04994	100.0
71.57238	1.0
73.06570	0.6
79.05493	11.9
79.16904	0.6
81.03410	0.7
81.07058	37.8
83.04990	2.7
83.08633	3.1
85.06541	7.7
85.07006	0.7
87.80309	0.5
91.05476	8.9
93.07046	25.4
95.04985	2.4
95.08611	16.6
97.06538	5.2
98.97605	2.9
99.04428	0.8
99.08089	2.3
100.98450	0.6
101.06042	0.6
105.07047	4.1
107.04959	1.6
107.08594	8.1
109.06537	2.6
109.10169	2.1
111.08089	3.7
116.98668	1.0
117.07033	6.9
119.08583	3.0
121.06528	0.9
121.10139	3.4
123.08067	0.9
125.09727	0.9
127.07556	1.5
129.06943	0.9
131.08575	8.0
133.10133	7.2
135.04411	0.6
135.08090	1.3
135.11697	18.5
143.08511	1.2
145.10167	1.9
147.11693	0.7
149.09663	1.2
149.13263	11.9
151.11217	1.0
153.12756	0.7
154.12187	0.6
157.10162	1.7
158.01289	0.7
159.11697	21.8
161.13324	0.9
163.04005	0.9
163.11220	1.2
171.11705	2.0
177.12747	12.5
177.14206	0.6
181.12263	0.8
185.13358	1.0
194.92455	0.7
199.14992	0.9
209.15350	3.5
227.12915	2.7
241.15829	1.4
241.19963	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	241.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49154	0.3
52.93671	0.4
53.00300	0.6
53.03941	1.7
53.16714	0.4
53.64087	0.5
55.01867	0.6
55.05512	4.0
56.02654	1.3
56.96559	1.3
57.03439	0.6
57.07072	1.6
59.05003	0.5
62.85389	0.4
63.83098	0.4
65.03951	1.2
67.05506	23.4
69.03417	0.8
69.07067	5.2
69.91808	1.9
71.04995	100.0
71.08627	0.4
73.06580	0.7
79.05496	13.0
79.05966	0.7
81.03412	0.7
81.07059	37.4
83.04975	2.6
83.08629	2.7
85.02858	0.4
85.06548	5.9
91.05479	9.2
93.07047	26.1
95.04970	2.4
95.08607	18.4
97.02889	0.5
97.06533	3.8
97.10209	0.6
98.97586	5.0
99.04436	0.5
99.08112	3.1
101.06029	0.5
105.07034	5.6
107.04977	1.2
107.08596	9.0
109.06535	1.8
109.10188	2.2
111.04457	0.9
111.08091	2.8
115.07600	0.9
116.98663	2.3
117.07022	9.8
119.08610	2.4
121.06542	1.1
121.10134	3.3
123.08069	0.7
125.09633	1.0
127.07564	0.9
128.06232	1.0
129.07004	4.8
129.09190	0.6
131.08565	10.2
133.10130	7.7
134.99658	0.9
135.08112	1.4
135.11691	17.8
140.00223	0.5
141.07022	0.5
142.07835	0.6
143.08585	5.3
145.10152	2.8
147.11707	1.6
149.09636	1.0
149.13272	11.4
151.11105	0.6
157.10109	3.4
158.01328	1.2
159.11696	21.1
161.13284	1.2
163.03929	0.6
163.11214	2.9
169.10201	0.6
171.11710	5.2
173.13275	3.6
177.00739	0.8
177.12744	11.1
181.12238	0.9
185.13264	5.1
187.14891	0.6
191.10678	0.7
195.01801	0.6
199.14801	4.7
209.11800	1.7
209.15327	3.4
223.13312	1.4
227.12790	4.4
241.08810	0.6
241.12248	0.6
241.14258	0.6
241.19601	19.2
255.49370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.3
53.03945	1.4
54.59981	0.4
55.01875	1.0
55.05511	3.5
56.02654	1.1
56.96564	2.5
57.03428	0.5
57.07069	1.0
59.05005	0.6
60.65748	0.3
65.03943	0.7
67.05506	21.4
69.03429	0.3
69.07067	4.0
69.65613	1.7
71.04995	100.0
73.06564	0.5
77.54661	0.3
79.05495	11.7
81.03435	0.6
81.07057	34.4
82.94538	0.4
83.04977	1.9
83.08627	2.2
84.59354	0.4
85.06549	5.5
91.05476	7.3
93.07045	22.5
94.07417	0.3
95.04959	2.1
95.08609	18.0
97.06525	4.1
97.99191	0.5
98.97582	3.7
99.08089	1.8
101.06021	0.5
105.07022	5.3
107.04972	0.8
107.08599	7.7
109.06506	1.6
109.10143	1.5
111.04490	0.5
111.08081	2.4
115.07607	1.0
116.33292	0.3
116.98622	1.5
117.07023	7.0
119.08585	2.0
121.06539	0.9
121.10136	3.1
123.08047	0.7
125.09632	0.4
127.07571	1.1
129.07040	0.8
129.09154	0.4
131.08568	7.2
133.10133	7.7
134.99707	1.1
135.04463	0.4
135.08078	1.3
135.11691	16.9
140.00146	0.4
143.08588	0.8
145.10175	1.3
147.11732	0.5
149.09660	0.8
149.13272	9.1
151.11243	0.5
157.10219	0.8
158.01247	0.9
159.11694	18.0
163.11203	2.1
171.11713	0.9
177.00771	0.6
177.05772	0.4
177.12762	10.0
177.14258	0.6
179.07458	0.3
182.09663	0.4
185.09833	0.4
185.13339	0.8
187.14740	0.3
195.01730	0.4
195.13762	0.4
199.07793	0.4
199.14886	0.7
199.28328	0.3
209.11841	0.7
209.15364	3.5
214.31670	0.3
218.11656	0.5
223.13292	0.4
227.12762	3.6
241.08913	0.6
241.12204	0.4
241.16077	0.5
241.19838	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	241.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73403	0.4
53.03931	1.3
55.01870	2.8
55.05257	0.6
55.05511	6.5
57.03426	1.2
65.03922	0.7
67.05508	9.2
69.03427	1.6
69.07068	4.9
70.68371	0.6
70.68710	1.1
71.04984	1.4
73.02923	0.9
79.05496	14.2
79.05963	0.8
79.07465	0.5
81.03415	2.2
81.06581	0.9
81.07060	11.9
83.04970	1.8
83.08628	4.7
91.05479	3.9
93.07046	21.5
93.07635	1.0
95.04972	2.9
95.08607	23.8
97.02895	2.2
97.06524	2.2
97.10181	0.6
99.04456	2.2
105.07033	3.5
107.04959	5.7
107.08598	16.1
109.06528	1.3
109.10137	1.7
109.69216	0.4
111.04448	1.2
111.08091	0.8
114.02840	0.4
117.07011	5.6
119.08585	7.2
121.06524	3.4
121.10133	9.0
125.05980	1.9
130.07761	1.1
131.08644	0.9
133.10109	1.5
135.08072	0.9
135.11693	29.1
139.07536	1.3
143.08475	0.5
145.10126	17.4
147.01295	0.5
153.12709	0.7
163.11183	40.3
165.47469	0.5
173.09590	1.1
178.27911	0.5
181.12245	9.8
191.10669	0.5
209.11667	3.2
227.12785	100.0
241.14349	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35246	0.4
56.96301	0.5
56.96565	9.2
58.45267	0.4
65.13920	0.5
69.88382	1.8
71.95281	2.8
91.29735	0.5
98.20846	0.9
98.97587	100.0
101.00887	3.0
103.00651	1.9
105.71444	0.4
110.97562	0.5
116.98624	36.2
119.01927	4.3
121.01659	2.6
130.94023	0.5
134.99649	7.7
140.00208	3.5
142.03470	0.7
145.03552	0.6
157.03407	1.0
158.01312	3.0
158.99785	0.9
177.00737	5.5
194.97678	3.6
195.01691	0.9
199.01588	0.9
203.96931	1.2
206.47322	0.6
208.01971	0.7
209.87151	0.5
214.96706	0.6
217.02599	0.6
217.99129	1.9
219.01999	1.1
222.97086	0.6
229.52145	0.6
236.98572	3.1
238.52489	0.6
239.06267	0.5
240.98154	12.0
241.01242	1.0
241.03413	0.6
254.93326	0.9
258.99805	22.0
259.02417	1.9
259.10132	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.4
56.96564	7.1
58.06588	5.0
70.27303	3.2
70.27668	3.3
71.95258	1.7
79.00783	1.3
84.08143	3.8
97.02849	2.4
98.55290	1.6
98.97585	100.0
110.97569	2.4
115.88109	1.5
116.97832	2.5
116.98630	38.6
119.01862	2.1
134.99684	5.6
140.00194	7.3
146.99611	1.4
158.01245	9.6
158.99625	5.3
177.00734	14.4
195.01770	4.3
196.09641	1.5
200.02289	1.8
208.55138	3.4
213.73978	1.7
216.28860	1.7
219.01654	1.7
241.11441	3.3
241.15462	32.8
258.99887	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	240.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.1
54.19778	0.1
55.05516	1.1
56.96569	0.2
57.07076	12.9
58.06599	2.6
67.05507	2.1
67.81228	0.1
69.07076	0.7
71.05006	0.1
71.08633	6.9
71.56570	0.1
79.05486	0.8
81.07060	2.7
83.05015	0.1
83.08617	2.0
85.06548	0.3
85.10184	4.5
89.22137	0.1
91.05487	0.3
93.07057	0.8
95.08609	6.3
95.86751	0.1
97.10169	0.8
98.09669	0.1
99.11750	0.3
101.00897	0.4
105.07053	0.1
107.08607	0.4
109.10156	3.8
112.07709	0.1
116.98650	0.1
119.01919	0.4
119.08533	0.1
121.10159	0.3
123.11726	0.9
125.00002	0.1
129.06978	0.1
131.01950	0.1
135.11653	0.2
137.06023	0.1
139.03931	0.2
143.01926	0.3
145.10127	0.2
156.09325	0.1
161.02997	0.4
162.96130	0.1
165.16376	0.5
168.08904	0.2
171.11653	0.2
180.04303	0.1
180.10722	0.4
183.17455	4.6
184.12045	0.1
189.11223	1.9
196.69566	0.1
198.11813	0.1
198.13586	0.1
200.61966	0.5
201.06107	0.1
215.07738	0.1
215.11346	0.1
217.06265	0.2
229.09245	0.2
229.12866	0.1
240.23216	100.0
241.19550	0.4
241.23528	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1596
Annotation	R-Salbutamol
Peak:m/z	Relative Intensity
53.03953	0.4
54.03465	0.3
55.01874	5.1
55.05513	1.6
56.05036	1.2
56.05845	0.4
56.96554	1.9
57.07089	0.7
59.04990	0.4
63.34831	0.4
67.05511	4.7
68.05035	2.5
68.05847	0.8
69.03429	1.5
69.07071	13.6
70.02968	1.2
70.06596	14.6
70.07404	0.7
71.04996	14.9
71.56287	0.4
72.04549	0.4
72.08154	0.7
79.05498	4.4
80.05014	1.1
80.05821	0.4
81.03419	0.6
81.07056	5.9
82.06596	0.9
82.07402	1.1
83.03740	0.5
83.04993	1.2
84.02133	1.7
84.04512	0.8
84.08152	0.8
85.02898	0.7
85.06554	2.4
86.06065	3.3
86.06882	1.1
91.05486	1.8
92.05801	0.8
93.07067	2.7
94.06570	1.5
94.07384	0.9
95.04986	0.8
95.08616	6.0
96.04482	2.4
96.08138	18.3
96.08938	3.3
97.02859	0.6
97.05287	1.1
97.06548	2.3
98.06049	1.5
98.09704	6.7
98.97581	5.4
99.08117	1.0
100.07654	0.6
100.08412	0.4
105.07037	2.4
106.06565	3.4
106.07311	0.8
107.04987	0.5
107.08593	3.8
108.08124	4.3
108.08921	1.5
109.06528	1.0
109.10154	3.0
110.06030	0.5
110.10497	1.4
111.04461	0.7
112.07619	0.6
112.51344	0.3
116.98637	1.4
117.07011	0.7
119.08569	2.0
120.04440	0.4
120.08103	1.3
120.08944	1.5
120.96471	0.5
121.10138	2.2
122.06044	9.0
122.09711	0.7
122.10502	2.1
123.08028	0.8
123.11688	0.7
124.07599	56.4
124.11230	1.0
125.00000	0.8
125.08397	4.3
125.09717	0.4
126.09174	1.3
126.10001	0.5
129.07039	0.5
133.10139	0.6
134.09601	0.7
134.10486	0.9
134.99681	0.5
135.08066	0.6
135.11684	0.7
136.07582	1.2
137.05963	1.4
137.09647	1.0
138.05470	0.5
139.11163	0.5
140.07066	8.3
146.99812	0.4
147.11676	0.9
148.07492	0.7
148.12015	1.3
150.12761	4.4
152.07048	2.7
152.10730	1.6
153.07851	9.0
153.09093	0.7
154.08557	0.7
158.99693	1.8
162.13615	0.8
164.15201	1.0
166.08640	1.0
166.12778	0.4
175.04510	0.5
176.14302	2.8
177.00706	1.4
178.16721	0.8
186.12726	0.4
194.15419	7.2
204.13866	5.8
204.18286	2.9
205.25383	0.4
208.05904	0.4
220.10419	1.4
222.14897	100.0
223.15160	0.4
240.09343	1.6
240.15982	4.8
240.19913	0.7
252.93465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.83933	2.5
55.01860	2.5
55.05512	27.0
56.96569	7.9
57.07078	18.7
59.05000	20.9
59.86161	2.3
66.06577	2.6
67.05510	31.1
69.03420	3.1
69.07068	45.1
71.04993	12.8
71.08635	4.1
71.56500	2.7
79.05502	18.0
81.07062	90.4
83.04981	9.3
83.08627	24.8
85.02921	20.8
85.06540	11.4
86.09698	14.2
91.05490	13.7
93.07047	31.3
95.04977	6.6
95.08613	100.0
97.06538	25.1
97.10169	21.2
98.97608	6.3
99.08119	7.8
105.03408	2.6
105.07029	27.3
107.08605	50.6
109.02869	3.2
109.06537	9.4
109.10171	49.1
111.04438	5.0
111.08102	12.0
111.11729	15.5
113.09644	5.7
115.07583	4.2
119.08578	32.7
121.10158	28.2
123.04421	4.4
123.08099	6.2
123.11731	34.2
125.09625	24.9
129.07077	3.8
131.08580	3.6
133.02907	3.9
133.10161	30.2
135.08064	3.8
135.11690	40.4
137.06006	4.7
137.09665	15.9
137.13269	68.0
139.07536	4.1
139.11179	19.1
143.08452	2.9
143.10693	10.0
147.11708	26.7
149.13248	18.6
151.11230	10.7
151.14816	3.6
153.09099	4.3
153.12744	6.1
155.08551	3.5
155.10678	5.1
157.12253	5.8
161.09590	9.0
161.13263	16.4
163.14825	31.5
165.09166	4.1
165.12808	5.7
171.11739	7.2
175.03587	2.6
175.14836	6.2
177.16455	7.7
179.10683	8.0
193.15909	3.2
193.19531	5.6
197.11781	3.9
203.17969	50.0
207.02776	5.4
210.43910	2.4
213.08043	3.8
221.11787	10.2
221.15413	7.4
221.19022	59.4
221.22411	2.8
226.63141	2.7
231.09042	3.3
239.06651	5.0
239.08919	83.4
239.10599	3.5
239.12764	6.7
239.18108	11.1
239.20111	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.01870	5.2
55.05513	37.5
56.96547	6.8
57.03437	5.6
57.07072	22.9
59.04760	2.4
59.05002	25.7
67.05236	3.1
67.05508	32.2
69.03430	5.6
69.07072	47.9
71.04977	10.9
71.08631	4.8
77.12238	2.9
79.05489	18.6
81.06596	5.1
81.07060	96.9
83.04966	8.9
83.08623	27.5
85.02901	7.9
85.06544	11.1
85.49745	2.6
91.05466	15.9
93.07050	44.6
95.04985	10.3
95.08611	100.0
97.06513	21.4
97.10165	21.0
98.97578	8.7
99.04459	2.7
99.08078	7.1
105.03397	3.1
105.07034	22.8
107.08591	59.0
109.06503	9.5
109.09451	5.1
109.10156	55.1
111.04466	2.7
111.08063	11.9
111.11727	17.9
113.09612	4.9
115.07584	5.4
117.07008	4.6
119.08584	39.5
121.06490	3.1
121.10140	38.5
123.08057	12.6
123.11707	35.1
125.09635	14.9
127.11179	5.1
131.08502	3.6
133.10139	36.8
135.08083	4.9
135.11681	44.3
137.05943	4.1
137.09679	6.3
137.13257	68.8
139.11137	21.6
143.10657	9.1
144.26352	3.0
145.10110	5.3
147.11659	29.5
149.13264	16.9
151.07652	3.0
151.11177	13.0
153.12718	5.4
157.12206	6.0
161.09608	3.9
161.13283	17.7
163.14839	28.8
165.09184	7.6
165.12784	8.3
169.12260	2.9
175.14830	11.7
177.16394	8.4
179.10580	4.4
193.19507	7.9
203.14323	4.6
203.17969	62.1
207.02837	6.7
217.07663	2.8
221.11685	4.2
221.15367	8.1
221.19020	72.1
239.08891	83.3
239.12445	13.1
239.16283	5.9
239.18201	3.6
239.20070	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03934	1.8
55.05509	8.6
56.96566	1.7
57.03437	3.0
57.07072	2.8
65.03957	1.3
66.78315	1.3
67.05172	2.2
67.05505	25.0
69.03416	1.4
69.07069	19.0
69.63567	5.3
71.05000	8.0
79.05481	8.0
81.07056	32.0
83.04971	3.7
83.08625	8.6
85.02894	5.2
85.06544	45.1
91.05475	7.9
93.07050	23.5
95.04970	3.1
95.08609	100.0
97.06540	6.5
97.10149	3.7
98.97559	1.9
99.08099	12.9
105.07037	17.4
107.08596	35.9
109.06532	3.1
109.10158	27.2
111.04440	1.8
111.08086	4.8
112.17527	1.1
113.09637	8.5
119.07793	2.2
119.08581	26.4
119.09373	2.2
121.10145	47.2
123.04459	1.6
123.08064	2.5
123.11716	12.9
125.09612	5.9
127.11194	7.1
133.10115	13.9
135.08063	1.5
135.11690	10.5
137.05986	1.5
137.09601	4.1
137.13254	4.2
139.07529	1.4
139.11174	4.0
145.10106	2.2
147.11681	16.3
149.13231	2.3
151.11157	2.3
153.09151	1.3
153.12744	1.4
159.11737	1.2
161.09685	2.6
161.13298	7.3
163.07651	1.2
163.14850	17.3
165.12856	1.5
175.14841	5.8
177.16362	8.7
179.10652	3.3
181.15865	2.9
183.11621	1.6
191.17979	1.4
198.18674	1.1
203.17961	26.5
205.95074	1.1
220.23218	1.2
221.11722	1.7
221.15437	1.9
221.19016	14.5
239.06664	1.5
239.08914	25.6
239.12587	2.3
239.18172	2.4
239.20155	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	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03935	2.0
55.05514	13.7
56.96557	1.3
57.03434	3.0
57.07060	3.7
59.04990	3.4
67.05180	1.4
67.05509	24.2
69.03429	3.1
69.07066	19.3
69.18988	6.5
69.19419	7.0
71.04990	8.2
76.92817	1.2
79.05499	10.2
81.07060	42.0
83.04975	2.7
83.08615	6.9
85.02909	4.9
85.06549	37.0
87.17096	1.3
89.06027	1.2
91.05493	8.8
93.07045	28.0
94.03803	1.4
95.04983	1.9
95.08611	100.0
96.79473	1.2
97.06540	9.0
97.10166	5.7
98.20774	2.6
98.97558	2.2
99.08093	12.3
105.07029	17.3
107.08599	36.6
109.06516	1.9
109.09470	2.4
109.10160	32.3
111.08078	4.8
111.11710	4.4
113.09639	4.7
115.07556	1.6
119.08586	27.5
121.06451	1.9
121.10143	44.6
123.11708	16.7
123.45016	1.3
125.09631	7.2
127.11179	6.5
133.10135	15.4
135.11696	14.8
137.09636	4.1
137.13278	10.1
139.07582	2.0
139.11172	5.2
147.11703	19.5
149.13251	3.7
151.11186	2.9
153.12779	3.0
161.09616	3.4
161.13231	9.0
163.14824	16.9
165.12755	2.4
175.14807	6.4
177.16394	8.6
179.10686	2.1
181.15897	4.2
196.08614	3.9
203.17976	37.8
221.11670	2.0
221.15579	1.7
221.19011	22.6
233.11562	1.3
239.08900	19.7
239.12601	1.8
239.17929	3.4
239.20067	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	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03947	2.2
55.01855	1.2
55.05513	11.9
56.96558	2.9
57.03433	3.6
57.07071	5.5
59.05004	1.7
67.05508	28.3
69.07071	17.7
69.50692	4.5
69.51109	4.3
71.05000	9.0
71.08648	1.4
79.05499	11.2
81.07060	41.7
83.04984	2.4
83.08614	7.7
83.26156	1.1
85.02904	5.4
85.06548	41.1
91.05456	7.5
93.07050	25.8
95.04973	3.0
95.08609	100.0
97.06536	8.3
97.10175	4.9
98.97587	6.0
99.08086	13.4
104.43655	1.1
105.07031	17.0
107.04953	1.6
107.08597	33.6
109.06522	2.7
109.10157	34.3
110.97592	2.2
111.08111	4.5
113.09632	7.7
119.08583	26.8
121.10151	47.9
123.08113	2.3
123.11707	15.1
125.09631	3.9
127.11173	6.7
128.98540	1.5
131.08557	2.5
133.06575	1.3
133.10135	13.4
135.08035	1.6
135.11725	9.8
137.05949	1.3
137.09644	4.9
137.13243	8.7
139.11192	5.5
145.10104	1.6
147.11690	19.4
149.13275	3.4
151.11166	1.9
158.99634	1.5
161.09608	1.7
161.13275	13.3
163.14812	17.5
165.09140	1.6
165.12729	2.5
174.90080	1.4
175.14862	7.0
177.16383	7.0
179.10655	1.8
179.14272	1.2
181.15907	2.3
193.12230	1.6
197.11642	2.3
197.13321	1.4
203.17953	33.5
203.19765	2.5
207.05922	2.8
221.11729	2.2
221.15387	2.8
221.19017	18.1
239.08911	21.4
239.12589	6.3
239.18118	1.8
239.20065	8.7
257.06900	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2007
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03959	1.7
55.01865	1.3
55.05503	11.7
56.96560	3.9
57.03429	3.6
57.07076	6.0
59.04988	5.2
65.50240	1.3
67.05173	2.3
67.05505	26.5
69.03427	1.6
69.07069	24.2
70.06554	1.4
71.04992	10.2
71.08636	1.8
79.05505	7.6
81.03466	1.3
81.07059	44.4
83.04974	3.1
83.08619	11.8
83.33633	1.3
85.02907	5.5
85.06544	38.4
89.33094	1.2
91.05489	11.4
93.07049	27.4
95.04959	2.7
95.08607	100.0
97.06542	10.2
97.10166	6.1
98.97573	3.2
99.08090	10.3
105.03401	1.6
105.07034	18.1
107.08598	32.6
109.02932	1.4
109.06512	3.1
109.10153	38.4
111.08093	5.7
111.11709	5.0
113.09655	5.1
119.08576	34.2
121.10147	50.4
123.08061	4.6
123.11704	20.0
124.07600	5.0
125.09624	9.9
127.11166	7.2
131.08568	3.1
133.10123	21.2
135.11703	18.2
137.05984	2.7
137.09621	4.9
137.13260	14.6
139.11217	9.0
140.06998	1.3
143.08548	1.6
147.11690	21.7
149.13258	5.2
151.11174	4.1
153.12703	1.6
161.09627	5.6
161.13254	10.4
163.14824	18.5
165.12753	4.9
175.14839	5.4
177.16376	10.5
179.10707	3.4
179.17958	1.4
181.15811	3.0
183.11537	1.7
193.19528	1.8
203.17944	43.9
207.02832	1.4
221.11819	3.4
221.15376	3.1
221.19016	28.6
222.14888	6.9
239.08897	27.1
239.12778	3.2
239.17969	4.0
239.20023	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	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.59967	3.2
53.03939	5.5
55.01871	5.1
55.05513	31.7
56.96562	11.9
57.03427	5.9
57.07067	14.9
59.05002	25.1
61.10061	3.4
67.05511	29.3
69.03415	11.5
69.07071	51.1
71.04980	14.0
71.08630	4.8
71.56593	6.1
72.19281	4.0
79.05481	16.0
81.07061	100.0
83.04973	5.6
83.08607	25.4
84.96063	4.3
85.02905	11.5
85.06546	13.9
87.04466	7.5
91.05476	13.2
93.07061	31.1
95.04971	7.7
95.08611	93.7
97.02886	13.6
97.06529	12.1
97.10165	20.8
98.97572	31.7
99.04387	3.5
99.08083	7.0
105.07030	25.5
107.08591	44.3
109.06534	6.9
109.10159	48.5
110.97560	8.3
111.08068	13.0
111.11765	19.6
115.03917	4.1
116.98637	9.1
119.08591	36.5
121.02937	4.1
121.10155	33.1
123.04340	3.6
123.08069	6.5
123.11726	36.6
125.01802	6.2
125.09608	5.4
128.98640	8.3
131.01720	3.3
133.10120	33.7
135.11702	29.3
137.13257	58.2
139.11179	15.5
141.09085	3.6
143.08546	4.2
143.10678	7.6
145.10165	7.8
146.02266	6.1
147.11685	34.3
149.13234	10.4
151.03886	4.7
151.07486	4.1
151.11177	11.1
153.12755	4.1
157.12152	5.7
157.14143	4.9
158.99638	6.8
159.11736	4.0
161.09595	7.8
161.13255	13.3
163.14844	25.2
165.12720	9.0
170.99670	4.5
173.01224	4.9
175.11183	12.0
175.14828	6.3
177.16388	4.9
193.12312	6.2
193.19492	6.3
203.10619	4.3
203.17986	61.8
205.09584	3.5
207.02933	5.2
207.60492	3.9
219.01796	6.3
221.11771	6.8
221.15402	7.5
221.19031	58.2
227.08577	6.9
231.01445	4.4
239.06631	5.2
239.08904	83.8
239.12637	9.2
239.20055	38.6
249.02753	6.2
252.94037	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	239.164
Annotation	Canusesnol H
Peak:m/z	Relative Intensity
53.03936	7.2
55.01862	4.3
55.05516	24.7
56.96562	5.5
57.03440	4.1
57.07061	5.5
59.04995	3.2
63.94712	3.0
65.03893	3.2
65.12920	3.0
67.05505	45.0
69.03405	4.0
69.07065	32.0
69.44833	25.4
71.04992	30.6
79.05492	48.1
81.03424	8.0
81.07062	60.9
83.04968	12.8
83.08620	17.1
85.02907	10.4
85.06573	6.6
91.05479	50.2
93.07045	60.9
95.04970	82.2
95.08608	47.5
95.09167	3.8
97.06537	40.0
97.10178	3.5
98.21035	12.4
99.04435	7.0
99.08054	4.1
105.03412	5.3
105.07035	53.2
107.04957	48.6
107.08600	26.3
109.06517	10.4
109.10168	13.2
111.04449	14.4
111.08105	6.5
112.23035	3.0
113.09636	5.5
117.07011	19.9
119.08570	36.6
121.06499	9.7
121.10130	11.7
123.04435	3.8
123.08068	8.0
128.06233	6.9
129.07013	19.0
131.08586	6.0
133.06490	27.7
133.10114	24.2
135.11713	11.1
137.09590	4.7
143.08577	16.5
145.10132	14.1
147.08057	4.7
147.11707	9.4
149.09630	4.2
155.08548	7.6
157.10143	11.7
159.11722	12.7
161.02396	3.6
161.09657	4.0
161.13255	19.7
163.11148	20.0
169.10129	7.8
171.11691	7.2
175.11172	4.5
175.14798	9.9
177.12740	13.9
179.14304	64.9
183.11716	11.2
185.13249	18.7
189.11334	3.4
197.13225	6.6
203.14265	19.9
207.02852	6.4
213.40329	3.8
221.12003	3.8
221.15361	100.0
239.05315	5.1
239.08917	52.8
239.14447	5.5
239.18121	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	239.034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38976	0.8
54.94453	1.0
56.96569	43.4
57.03438	1.2
61.02913	1.6
70.06580	0.9
70.98126	100.0
73.02927	1.1
74.97604	1.6
81.11826	0.9
82.01456	1.0
82.59930	0.9
85.02913	2.0
88.04262	0.9
88.99164	38.1
91.77647	0.9
94.06557	1.7
97.02873	1.2
97.99188	10.7
98.20718	2.3
98.97565	3.8
102.96871	1.1
107.00211	5.3
110.97551	3.3
112.00746	4.3
113.00892	1.0
116.00267	1.8
119.01946	1.3
120.97963	1.3
124.95490	5.9
128.98589	2.2
130.01805	7.7
131.00191	2.3
131.01930	1.4
133.03499	1.1
142.96555	5.9
143.01854	1.3
149.01221	1.9
156.98087	9.7
160.97627	1.5
160.99370	1.0
170.06671	1.2
173.02975	1.5
174.99150	51.4
183.99101	1.3
185.02968	1.1
188.07790	1.2
193.00214	67.7
198.00725	4.0
211.01233	8.3
216.01833	6.7
234.08246	1.5
255.94633	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
52.64048	1.1
53.03942	3.8
55.01862	4.7
55.05514	14.0
55.19805	1.0
56.96563	16.5
57.03424	4.2
57.07074	3.9
58.99831	1.0
59.05014	7.4
61.02919	2.1
65.03941	1.4
65.66985	1.0
67.05505	25.7
69.03432	9.4
69.07071	17.0
69.19072	10.1
70.06567	1.0
71.04990	22.2
71.08647	1.8
73.02913	4.8
73.06548	1.3
75.32329	1.0
77.00922	2.2
79.05494	17.4
81.03428	3.7
81.07059	85.2
82.01411	2.2
83.04980	7.9
83.08630	6.8
84.96012	1.2
85.02900	7.7
85.06528	4.5
85.12910	1.1
87.04474	2.0
91.02324	2.6
91.05479	19.7
93.07046	100.0
95.04971	9.1
95.08609	42.2
96.08907	1.1
97.02891	4.3
97.06537	7.5
97.10174	3.3
98.96931	2.2
98.97588	43.9
99.04428	3.2
99.08099	7.2
100.02489	9.2
100.16837	1.0
103.02341	2.6
103.05467	2.0
103.07601	1.9
105.04539	1.2
105.07030	39.9
107.04977	2.2
107.08595	33.5
107.09302	2.4
109.02309	3.1
109.02940	1.4
109.06525	9.9
109.10157	28.9
110.97579	4.3
111.04453	3.3
111.08098	4.0
112.99129	1.2
113.06023	4.6
113.09637	2.2
115.02328	1.5
115.05453	1.6
115.07563	5.4
116.32674	1.4
116.98621	14.7
117.06995	5.4
118.02834	3.4
118.03527	4.0
119.01839	2.4
119.04958	1.2
119.08588	24.0
120.08120	1.7
121.06511	6.5
121.10150	22.9
123.08076	5.1
123.11710	37.2
124.02825	5.4
125.06012	1.6
125.09663	8.4
127.00686	4.0
127.03912	2.1
127.07554	4.1
127.11223	9.0
128.02248	1.1
128.98640	4.7
129.06989	1.4
131.01875	1.2
131.04897	2.0
131.08572	12.2
133.03358	5.1
133.06526	1.9
133.10132	57.3
135.08061	6.6
135.11691	19.4
137.05994	4.3
137.09613	5.0
137.13260	1.5
139.07550	1.0
139.11217	3.8
143.00145	2.6
143.10655	3.2
144.09357	2.3
145.01736	7.3
145.03374	2.0
145.06476	1.2
145.10117	18.3
146.99641	1.6
147.11684	13.2
149.05998	2.3
149.09686	4.0
149.13272	7.7
150.06358	4.0
151.07591	1.2
151.11188	40.9
154.03859	22.3
155.05511	2.6
155.08530	1.3
155.10654	3.5
158.99664	13.0
159.08064	2.1
159.10440	2.0
159.11679	15.9
161.01176	1.4
161.09705	2.3
161.13248	9.3
163.02817	3.4
163.04428	9.6
163.07570	3.6
163.11214	4.6
163.14857	2.1
164.07880	1.4
165.00703	1.3
165.12730	2.5
170.90910	1.0
173.01256	2.5
173.06703	5.1
173.09641	1.3
173.13264	11.1
174.55191	2.3
175.14856	2.4
177.00735	8.0
177.05469	1.8
177.09070	1.3
177.12692	7.1
177.16420	3.1
179.10750	4.0
179.14323	1.2
181.08557	1.7
185.06534	1.2
187.02808	1.8
189.00781	1.9
189.04456	1.2
189.08987	2.5
190.95233	1.5
190.98628	1.1
191.02223	1.6
191.07582	5.0
191.10623	1.7
191.14337	9.2
191.17955	6.2
193.04913	1.5
194.07141	1.7
195.13853	2.3
195.17484	2.0
196.08231	8.5
198.09088	4.2
201.00798	1.9
201.12833	1.3
201.16382	21.9
207.05782	1.4
207.09727	1.4
214.09349	6.4
217.07489	2.8
219.01759	2.4
219.10167	3.4
219.13913	4.8
219.17432	40.2
220.14122	2.2
228.10216	3.6
232.10234	1.3
237.07303	1.2
237.09090	1.3
237.11212	5.2
237.14844	17.2
237.18561	37.8
237.22176	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	237.1485
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
50.16093	1.0
51.02380	1.1
53.03951	22.9
55.01878	8.2
55.05512	11.6
56.96568	5.1
57.03418	1.8
57.07068	3.3
59.04985	1.1
65.03943	2.5
67.05508	61.4
69.03435	1.7
69.06798	0.8
69.07081	9.7
71.04982	2.5
71.08627	1.1
71.56091	0.8
79.05497	43.3
81.03425	50.3
81.07062	100.0
83.04986	13.6
83.08621	9.0
85.06549	10.9
91.05484	28.9
93.00924	0.9
93.07048	64.6
93.89307	1.1
95.04975	29.8
95.08614	51.2
96.08982	1.0
97.06546	5.7
97.10185	1.7
99.08084	2.4
103.05489	2.0
105.07039	19.1
107.04963	40.6
107.08598	22.6
109.02879	3.4
109.06522	6.9
109.10155	4.1
110.57325	1.1
111.04456	2.7
111.08104	6.9
115.05414	2.2
115.07578	1.4
117.07021	17.2
119.04955	4.1
119.08587	5.1
121.06538	11.1
121.10126	8.6
123.04420	3.3
123.08076	17.4
123.11707	1.4
125.05997	1.6
127.07547	1.9
128.06248	2.4
129.07011	2.2
130.07785	1.8
131.04955	1.8
131.08582	19.5
133.06485	2.5
133.10156	11.1
135.04428	4.4
135.08063	2.9
135.11700	35.7
137.09586	1.1
141.06985	7.4
143.08540	4.6
144.09315	1.2
145.06496	14.2
145.10133	11.0
149.09593	2.0
149.13260	23.5
151.05148	2.5
153.55379	1.3
154.07762	2.5
157.10146	2.0
159.08054	3.8
159.11710	33.4
159.22827	1.0
160.08583	1.0
162.55945	1.7
163.11185	7.5
166.07809	1.4
167.08537	2.8
169.10146	13.0
175.02766	1.9
175.08794	1.1
177.12772	22.0
179.08662	1.6
180.09395	2.1
181.10141	4.2
183.11674	1.2
184.09360	2.8
187.11198	18.5
191.10689	1.8
192.06602	1.9
193.06964	1.4
193.09912	4.7
194.10837	1.1
195.11673	7.5
195.60135	1.3
202.07489	2.8
202.57693	1.4
205.12267	7.6
207.11685	2.2
208.12459	1.7
209.11595	2.5
209.13364	3.0
216.08516	1.3
219.10162	1.2
219.13826	2.9
219.17314	1.2
219.21107	2.3
222.10411	1.3
222.13846	1.9
237.10991	1.6
237.12729	1.6
237.14690	4.2
237.16638	23.0
237.18478	2.6
237.21939	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	237.1484
Annotation	Placidene D
Peak:m/z	Relative Intensity
53.03926	0.8
55.01875	1.2
55.05511	7.1
55.49292	0.2
56.96547	0.3
57.03417	0.4
57.07044	0.5
59.04990	1.0
65.03928	0.5
66.04706	0.2
67.05505	6.1
69.03430	0.3
69.07066	6.4
69.19293	1.4
69.19702	0.3
71.04976	0.4
77.03146	0.2
79.05074	0.2
79.05494	4.4
81.03419	8.7
81.07057	6.8
83.04986	0.9
83.08154	0.3
83.08619	4.8
85.06513	0.4
91.04998	0.2
91.05486	3.0
93.03368	0.3
93.06499	0.2
93.07043	3.7
94.04173	2.3
95.04971	10.2
95.08605	4.9
97.06486	0.8
97.10134	0.6
101.09622	0.3
103.05412	0.5
105.06508	0.2
105.07018	1.9
107.04954	7.6
107.08584	2.0
109.05918	0.2
109.06525	2.0
109.10162	0.9
111.04407	0.4
111.08038	0.9
111.11700	0.4
117.06306	0.2
117.07014	2.1
118.06520	0.3
119.08572	1.2
121.06505	1.1
121.10149	1.4
123.08052	1.6
123.11698	0.4
125.09547	0.2
125.11571	0.2
129.06964	0.6
131.08569	1.5
133.10101	0.7
135.08011	0.5
135.11699	1.0
137.13231	0.3
141.06976	0.6
143.08498	0.7
144.09326	0.3
145.06409	0.4
145.10117	1.6
147.07994	0.2
149.09512	0.3
149.13210	0.7
153.06920	0.4
154.07701	0.6
155.08517	0.9
157.10178	0.4
159.08029	0.3
159.11638	0.7
163.11166	1.0
163.14784	0.2
165.06952	1.0
166.07687	0.4
167.08562	1.5
169.10133	1.9
177.12671	0.3
179.08514	0.3
180.09297	0.5
181.08653	0.3
181.10101	2.6
183.11670	0.6
187.11127	0.7
191.10667	0.2
193.10071	0.3
194.10838	0.5
195.11711	3.6
196.12437	0.3
205.12212	3.0
207.11584	0.6
208.12466	1.0
209.11504	0.3
209.13348	1.4
219.13748	0.3
219.20999	0.6
222.13969	0.8
237.14761	100.0
237.22017	1.8
238.15062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76734	0.3
53.72641	0.3
54.25607	0.3
55.01858	0.3
56.96293	0.4
56.96569	6.7
57.03439	1.0
58.06575	0.4
60.04518	0.3
61.02929	0.6
61.14771	0.3
67.57269	0.3
69.03437	1.3
69.07057	0.3
69.39187	1.7
69.39597	0.8
71.95255	1.1
73.02918	1.1
73.06564	0.4
81.03427	0.5
84.96028	0.6
85.02905	2.1
86.06101	0.3
87.04505	0.3
90.05544	0.4
92.13292	0.3
94.06571	100.0
94.50047	0.3
95.06887	0.5
97.02882	1.8
98.21529	0.6
98.97588	75.5
99.97890	0.4
101.00887	0.9
102.00976	0.4
102.96833	0.4
104.07096	0.4
106.05033	0.4
110.04063	0.3
110.97598	1.0
115.02402	0.3
116.98625	23.4
119.01897	1.3
120.01983	0.5
121.01711	0.4
127.03934	0.6
128.02338	0.4
128.98589	0.7
131.00160	0.8
131.01872	0.5
133.03467	0.6
134.99670	4.4
136.03661	0.4
138.99515	0.3
140.00171	0.6
140.98532	0.3
145.04951	0.4
146.05054	0.6
147.03168	1.2
147.05054	0.5
149.01250	0.7
153.00566	0.5
155.02821	0.4
155.04584	1.5
156.03629	1.1
158.99666	0.8
161.02876	0.6
164.05185	0.9
166.98950	0.7
170.03406	0.5
170.99716	0.7
171.01427	1.1
173.51935	0.4
175.02837	0.4
175.04362	0.4
179.99677	1.2
182.03392	0.7
185.00003	0.4
189.00757	0.4
189.06023	0.4
191.02324	0.6
191.03947	1.1
192.03297	1.6
194.01297	2.4
195.01666	0.4
198.00754	1.6
208.99994	0.9
210.04436	1.0
212.02321	0.8
213.09763	0.5
214.03915	0.3
215.05028	0.5
216.01851	0.3
216.17986	0.3
218.08168	1.0
227.06789	0.7
231.10770	0.6
236.02310	45.4
236.07285	1.7
236.09134	0.9
236.14943	1.0
237.02728	0.6
237.06296	0.4
254.03377	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	235.1692
Annotation	Caulolactone A
Peak:m/z	Relative Intensity
53.03942	1.3
54.67603	0.4
55.01875	2.5
55.05512	6.7
55.31107	0.4
56.96563	2.6
57.03433	0.5
57.07067	1.6
65.03963	0.9
67.05505	18.2
69.03430	100.0
69.07071	7.2
69.47048	3.2
70.98129	1.2
71.04995	0.9
77.03975	0.5
79.05493	17.9
81.03415	1.0
81.07056	25.3
83.04990	1.4
83.08617	3.0
85.06544	1.5
87.04457	0.7
88.99200	0.5
91.05479	19.5
93.07044	20.8
95.04962	2.9
95.08608	15.2
97.06525	7.8
97.10175	1.5
99.08071	0.8
105.07029	11.7
107.04960	0.8
107.08595	15.1
109.06525	5.6
109.10162	7.3
111.04456	1.1
111.08086	1.6
117.07013	1.8
119.08580	7.9
121.06528	1.9
121.09322	0.8
121.10143	10.4
123.08070	6.7
123.11730	2.5
125.06043	0.6
125.09654	1.2
127.07575	0.5
129.07004	1.7
131.08565	3.3
133.10133	22.4
135.08087	1.2
135.11688	2.4
137.09572	2.5
143.08562	1.2
145.10115	1.3
147.11679	5.1
149.09627	1.9
149.13264	2.2
151.07542	0.7
151.11172	6.2
157.10118	3.1
159.11755	1.0
160.97745	0.5
161.09657	0.8
161.13275	2.4
163.14764	0.5
165.12720	0.7
165.16312	0.8
171.11661	1.2
173.13278	1.2
175.08856	0.7
175.11156	1.4
175.14804	2.9
179.10718	1.2
182.09579	4.4
182.59760	1.0
185.13272	1.6
189.12759	0.9
189.16362	5.8
191.10110	4.9
191.60345	0.6
193.12254	1.5
193.60390	1.7
199.14841	3.2
202.60916	1.0
203.14296	0.7
207.17426	4.9
217.15860	4.1
235.16928	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	235.1692
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03931	2.0
55.01868	3.0
55.05513	8.7
57.03420	1.2
57.07074	12.7
58.96123	1.6
59.04989	2.7
61.38947	1.5
65.03937	1.4
67.05501	13.8
69.03429	3.3
69.07063	14.8
69.60738	1.4
71.04972	5.5
79.05495	18.2
81.07055	14.7
83.04988	1.7
83.08610	5.5
85.06545	3.9
91.05488	18.8
93.07047	30.6
95.04943	7.8
95.08620	17.2
97.06519	11.0
105.07034	32.8
105.51524	1.4
107.04928	2.8
107.08595	36.7
109.06513	5.9
109.10157	13.6
111.04436	3.1
111.08084	3.0
115.05470	1.7
117.07018	5.2
118.07770	1.5
119.08584	87.8
121.02936	1.5
121.06490	3.3
121.10152	18.5
123.08057	3.7
123.11720	4.6
125.09610	2.2
128.06233	3.6
129.06975	3.2
131.08588	13.8
133.06490	2.8
133.10130	49.3
135.08061	15.5
135.11671	9.0
137.09630	5.8
139.03885	3.1
142.07780	3.8
143.08543	10.0
144.09395	2.0
145.10150	13.4
146.07191	2.5
147.08046	7.3
147.11684	17.1
149.02287	2.2
149.09642	2.8
149.13226	3.3
151.03896	1.6
151.11194	6.9
156.09361	3.5
157.10126	11.1
158.10916	2.3
159.08118	2.6
159.11668	11.4
160.08823	2.1
160.12483	1.5
161.09628	55.1
161.13254	4.3
163.07539	2.1
170.10941	3.0
171.11703	8.6
173.13280	17.2
175.11163	12.5
175.14839	18.2
177.12692	4.1
179.10686	14.5
184.12465	3.4
187.11259	2.4
187.14810	4.7
189.12762	3.4
189.16396	21.9
191.07106	2.6
193.15923	3.7
199.14822	11.5
202.13524	1.6
217.15881	100.0
235.09717	2.5
235.13142	3.0
235.16939	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1691
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
52.65225	1.6
53.03928	1.6
53.64101	1.5
55.01874	3.3
55.05489	7.2
57.07062	7.8
59.04982	2.8
67.05505	8.4
69.03421	4.3
69.07076	12.1
69.75080	9.7
71.04990	4.7
79.05494	8.3
80.45999	1.7
80.75449	1.6
81.03384	1.6
81.07049	13.0
83.04980	2.1
83.08614	4.7
85.06528	3.9
91.04981	1.9
91.05469	12.9
93.07050	18.0
95.04955	7.3
95.08149	1.7
95.08617	18.5
95.98377	1.8
97.06509	6.0
104.09055	1.8
105.07034	29.4
107.04941	2.4
107.08604	35.2
109.06504	6.7
109.10157	13.9
111.08049	6.5
117.07029	6.1
119.08579	81.7
121.06503	3.3
121.10127	14.0
123.08065	4.6
123.11691	6.1
128.06227	2.0
129.07010	1.8
131.08583	18.7
133.10136	50.3
135.08067	16.0
135.11700	5.9
137.09607	6.7
142.07762	4.8
143.08548	9.5
145.10124	15.1
146.07249	3.3
147.08051	7.0
147.11710	20.6
149.02328	1.8
149.09570	2.2
149.13228	2.3
151.11153	7.5
156.09319	2.2
157.10101	15.1
158.10930	3.2
159.08061	3.5
159.11702	13.4
161.08298	3.9
161.09616	60.0
161.13278	3.8
171.11765	9.9
171.13010	1.7
173.13257	23.1
175.11176	12.9
175.14822	18.6
177.12755	6.0
179.10680	11.1
184.12517	3.2
187.11032	2.5
187.14838	6.0
189.16397	25.3
191.07077	2.1
191.14302	2.3
193.15935	3.6
199.14798	14.1
202.13470	2.8
217.15874	100.0
235.16925	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	Caulolactone A
Peak:m/z	Relative Intensity
53.03946	1.9
55.01869	2.0
55.05511	6.4
55.18410	0.5
56.96564	2.2
57.03445	1.3
57.07080	3.5
59.05013	1.0
65.03932	0.9
67.05503	21.2
69.03429	100.0
69.07065	6.7
70.98135	0.9
71.04989	2.4
71.56311	0.6
75.34291	0.6
77.03905	0.7
79.05494	18.1
81.03418	1.3
81.07057	27.3
83.04987	2.5
83.08639	3.8
85.06522	2.0
85.39175	0.6
91.05478	21.7
93.07042	30.8
95.04960	4.0
95.08604	15.3
97.06540	8.9
97.10154	1.8
98.97572	0.8
99.79478	0.5
105.04539	0.6
105.07035	15.4
107.04919	1.0
107.08595	17.9
109.06531	5.7
109.10143	7.1
111.04469	1.8
111.08094	1.5
117.07020	1.6
117.36242	0.6
119.08575	10.7
121.06496	1.6
121.09318	1.0
121.10149	11.2
122.56616	0.7
123.08080	7.6
123.11710	2.7
125.09637	1.1
129.07011	1.7
131.08554	3.9
133.10127	21.2
135.08044	1.4
135.11714	2.7
137.09610	2.3
142.07869	0.7
143.08571	2.7
145.10066	1.0
147.08025	1.6
147.11697	4.8
149.09589	3.0
149.13280	2.2
151.11192	5.3
157.10124	1.8
159.11711	1.2
161.09633	1.1
161.13226	5.3
163.11203	0.6
165.12747	1.1
175.11131	1.4
175.14819	2.5
175.58975	0.8
179.10681	2.3
182.09584	3.0
185.13248	3.0
189.16399	5.7
191.10088	2.8
191.18068	0.7
191.60269	0.8
193.12259	1.6
193.60397	0.7
199.14836	2.5
203.14308	2.1
207.17400	4.1
217.15851	4.6
220.12392	0.7
235.15077	2.3
235.16925	51.3
235.20689	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	(3Z,12Z)-Laurediol
Peak:m/z	Relative Intensity
51.02388	0.6
52.41295	0.5
53.03952	5.1
55.01880	1.2
55.05511	8.8
56.96566	6.5
57.03440	0.9
57.07079	3.6
65.03951	1.4
67.05510	30.6
69.00767	0.6
69.01272	0.5
69.03429	3.7
69.06683	0.6
69.07069	11.4
69.19617	4.9
69.20020	1.0
69.30906	0.5
70.25063	0.5
71.04983	1.5
71.95267	0.6
77.03925	1.7
79.05497	53.1
81.03423	0.7
81.06582	1.2
81.07064	23.0
83.04984	2.4
83.08617	4.1
85.06550	2.0
91.05486	46.7
92.48228	0.5
93.07050	100.0
94.46623	0.5
95.04976	7.6
95.08616	17.1
96.98441	0.6
97.06547	3.5
97.10188	2.6
98.21445	1.3
98.97585	1.4
99.08093	0.7
105.04527	2.1
105.07043	15.1
107.04955	1.6
107.08601	37.9
109.06524	2.8
109.10168	5.4
111.08093	1.6
111.20344	0.5
117.07028	8.5
119.08588	14.5
121.06502	1.9
121.10150	41.6
122.03663	0.8
122.96072	0.5
123.08083	2.2
123.11720	0.7
128.06204	0.6
129.07027	3.3
131.08569	11.7
133.10138	15.7
135.08046	4.3
135.11711	8.9
137.05986	15.9
137.09579	2.8
137.61426	0.6
138.06328	8.5
139.06531	1.0
139.07506	0.8
139.11186	1.2
143.08578	4.4
145.10161	3.1
147.08041	1.1
147.11684	3.9
149.09631	1.7
149.13391	0.8
151.11195	1.2
153.09100	2.3
157.10168	4.8
159.11676	0.9
161.09616	1.0
161.13252	1.3
167.10693	0.6
171.11713	3.0
173.13271	2.5
175.11177	1.2
175.14836	6.1
179.10616	3.3
181.58517	4.6
182.08752	11.6
182.58827	2.6
189.12769	1.9
189.16403	5.8
191.09248	3.5
193.09401	1.1
193.12231	1.3
193.59560	2.8
197.13528	0.5
199.14807	8.0
207.17395	1.7
214.10834	0.6
217.12524	0.5
217.15912	8.0
225.11800	0.5
226.11172	5.3
227.11617	3.3
235.16936	64.2
244.12164	1.9
245.12718	1.0
253.11143	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03942	4.8
55.01621	1.1
55.01870	12.5
55.05513	19.0
56.96571	7.3
57.03419	2.1
57.07061	3.3
59.04988	2.3
59.15387	0.7
65.03931	3.0
67.05506	45.4
68.49645	0.7
69.03415	1.6
69.07071	23.1
70.05310	3.4
70.98106	2.1
71.04983	1.7
71.08629	1.1
73.06572	1.8
77.03955	1.1
79.05495	58.8
81.03411	3.1
81.07058	48.0
83.04981	20.2
83.08622	5.1
85.06546	1.4
85.10168	1.5
86.74850	0.7
88.78362	0.7
89.84519	0.8
91.05484	62.5
93.07047	42.2
95.04971	45.1
95.08612	18.2
97.06536	6.0
97.10182	3.8
98.98960	0.8
103.05460	4.9
105.04504	3.2
105.07035	46.1
107.04961	30.8
107.08593	20.6
109.06518	34.1
109.07265	1.8
109.10160	12.8
111.08090	1.8
111.11699	0.9
115.05446	4.9
116.06250	1.3
117.07025	31.5
119.04964	0.9
119.08585	28.0
121.06509	17.8
121.09316	1.3
121.10142	14.4
123.04439	14.7
123.08064	5.0
123.11696	6.1
125.06100	0.8
125.09637	1.0
128.06171	1.5
129.07002	6.8
130.07756	1.7
131.08572	40.4
133.06497	7.5
133.10133	11.1
135.08052	13.4
135.11688	6.4
137.06006	2.7
137.09602	2.5
141.06985	4.0
142.07797	1.0
143.08537	3.4
144.09354	1.0
145.06493	3.7
145.10123	20.2
146.06746	1.0
147.08066	5.9
147.11697	7.9
149.09654	5.0
149.13258	1.2
150.06870	0.8
151.07571	1.1
151.11124	1.1
155.08556	5.5
157.10135	8.2
159.07991	3.2
159.11697	33.1
161.13257	3.5
163.11185	1.3
163.14835	2.9
165.07477	2.1
168.09315	0.8
169.10129	3.4
171.11652	5.4
173.06052	1.0
173.09612	2.9
173.11940	1.3
173.13280	13.9
174.08029	1.8
175.11208	1.3
176.58264	0.8
177.05643	0.8
178.06291	0.8
181.08794	4.2
183.11710	8.9
186.95218	0.9
187.11169	1.5
187.14833	13.3
190.09323	8.2
191.14314	3.0
192.59627	2.4
197.13292	5.2
199.09868	2.8
201.12744	12.7
201.60135	2.7
203.62173	0.8
205.12648	0.8
205.15892	18.9
213.10878	1.5
215.14334	7.5
218.07436	0.9
229.07521	1.1
233.11577	2.7
233.15366	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
53.03937	2.1
55.01869	2.0
55.05509	10.5
56.96567	8.3
57.07066	3.5
65.03937	1.4
67.05508	34.2
69.03429	2.1
69.07067	11.6
69.85868	5.8
71.04975	1.3
71.08621	1.4
73.57815	1.1
79.05067	1.4
79.05497	23.5
81.07056	51.2
83.04981	1.7
83.08621	5.5
85.06548	1.4
91.05477	22.4
93.07046	28.3
95.04966	4.1
95.08609	42.6
97.06538	7.2
97.10168	2.6
103.05424	1.5
105.07028	34.2
107.04933	7.1
107.08608	22.7
109.06516	3.3
109.09452	1.7
109.10162	18.5
111.08113	1.5
115.05430	1.4
117.07029	11.8
117.27419	1.2
119.04946	1.4
119.07793	2.1
119.08583	24.2
121.06546	10.7
121.09454	1.4
121.10163	15.9
123.08055	1.5
123.11713	6.2
125.05969	2.4
128.06183	1.2
129.06999	2.6
130.07822	1.5
131.07590	1.9
131.08563	32.0
133.06502	2.0
133.10141	12.9
135.04437	1.1
135.08057	3.4
135.11703	7.7
137.05978	6.2
137.09602	1.2
137.13263	2.3
139.07521	4.0
143.08537	4.3
145.06473	2.1
145.10120	35.8
147.08037	3.6
147.11702	9.3
149.01198	1.9
149.05986	1.6
149.09669	3.4
149.13264	3.1
151.07520	4.6
151.14786	1.8
155.08563	4.5
157.10149	3.1
158.10924	1.3
159.08087	5.2
159.11696	17.3
161.13246	13.0
163.07544	4.7
163.11063	1.2
163.14891	1.7
168.94354	1.2
169.10094	3.3
171.11731	3.2
173.05983	1.6
173.09618	4.5
173.13226	5.3
175.11150	1.5
177.05487	1.3
177.09102	10.3
178.96082	1.2
182.10925	2.2
187.11205	4.7
187.14821	100.0
188.15054	1.2
189.12764	1.3
189.16412	2.1
191.10693	2.8
191.14325	6.5
197.13292	8.5
205.12187	2.0
205.15883	6.8
215.14328	29.8
229.07387	1.3
233.07938	1.6
233.11749	6.6
233.15366	83.7
233.18881	15.2
233.22623	22.0
243.36429	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Oculatol
Peak:m/z	Relative Intensity
53.03947	2.4
55.05511	4.3
57.03431	1.3
57.07083	4.0
59.05005	2.2
67.05505	9.0
69.03431	12.9
69.07071	8.2
70.68862	2.7
71.01333	0.9
71.05006	5.8
71.22897	0.8
74.06069	1.8
79.05492	26.2
81.07059	9.5
83.04990	4.1
83.08608	4.4
85.06538	4.8
91.05482	18.0
93.07042	11.2
95.04975	20.4
95.08614	6.1
97.06525	9.1
100.81481	0.9
103.05481	1.2
105.07034	20.7
107.04957	24.8
107.08600	17.7
109.02875	1.0
109.06516	7.8
109.10166	6.1
110.58890	0.8
111.04430	1.5
111.08089	3.1
113.06004	3.4
115.05453	1.6
116.06196	1.3
117.06992	5.1
119.04926	1.1
119.08586	80.4
119.46838	1.0
120.74524	0.8
121.06500	5.7
121.10146	18.5
123.08045	3.2
123.11703	3.0
125.09640	2.4
129.06987	2.7
130.07750	1.7
131.08572	15.9
133.06516	6.2
133.10135	14.8
135.08072	4.8
135.11656	2.4
137.05980	6.5
137.09616	6.7
141.07025	1.1
142.07776	2.5
143.08557	4.1
144.09286	1.2
145.06473	2.5
145.10136	21.8
147.06940	1.5
147.08052	26.4
147.11691	10.2
149.09628	11.0
149.13300	2.0
151.11133	1.5
153.09071	1.2
155.08559	3.3
156.09349	3.0
157.10141	8.9
158.10898	2.3
159.08043	4.4
159.11630	5.2
160.08882	1.5
161.09665	1.9
161.13240	5.4
163.11214	4.7
163.14877	1.7
167.08589	1.8
169.10115	2.3
171.11696	6.1
172.12517	1.5
173.09651	5.7
173.13263	13.9
175.11197	16.1
177.05434	1.0
177.09096	2.9
178.67322	1.0
182.10892	5.2
185.13181	1.0
187.11267	1.3
187.14832	12.1
189.09039	1.1
189.12697	7.1
191.03389	15.4
191.14308	30.2
197.13264	8.1
200.12056	0.9
205.15880	2.4
214.60851	0.9
215.14310	20.6
233.08073	6.6
233.11971	6.7
233.15369	100.0
233.22987	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	233.1537
Annotation	Oculatol
Peak:m/z	Relative Intensity
53.03931	0.4
55.01863	0.9
55.05505	2.1
56.96559	0.8
57.03427	0.8
57.07062	1.6
59.04974	0.6
63.86003	0.4
65.03936	0.6
67.05180	0.5
67.05503	5.9
69.03426	3.6
69.06679	0.4
69.07066	7.3
69.46227	1.6
69.46631	0.9
71.05002	0.5
74.06078	3.2
74.68655	0.3
77.03844	0.4
79.05495	5.8
81.07055	4.3
81.90766	0.4
83.05022	0.7
83.08595	1.0
85.06530	1.2
86.09684	0.8
91.05479	10.3
93.07041	6.0
95.04953	5.2
95.08607	3.7
97.06530	9.8
98.97559	1.0
105.07027	7.4
106.07816	0.4
107.04935	2.4
107.08603	5.8
109.06525	3.2
109.10152	1.5
111.04416	1.2
111.08046	0.6
113.05973	0.4
115.05447	0.9
116.06242	0.5
117.07008	2.6
119.04941	3.9
119.08582	10.2
121.06499	8.1
121.10149	4.7
123.04460	0.4
123.08054	1.5
123.11669	0.7
125.06009	0.4
125.09602	0.6
128.06238	0.6
129.06989	1.1
130.07767	1.0
131.07587	0.8
131.08562	11.8
132.10210	0.7
133.06458	1.3
133.09155	0.6
133.10118	5.7
135.08055	2.2
135.11664	0.7
137.05977	17.0
137.09601	1.0
141.06984	1.1
142.07739	0.7
143.08531	2.4
144.05626	0.5
144.09309	0.6
145.06435	1.3
145.10121	12.7
147.04462	0.6
147.08020	1.3
147.11658	2.4
149.05969	1.0
149.09630	7.1
149.13225	0.5
154.07791	0.5
155.08571	2.1
156.09398	1.8
157.10130	4.3
158.07207	0.7
158.10915	1.1
158.99710	0.5
159.04449	0.7
159.06834	0.8
159.08058	9.4
159.11659	3.5
160.08902	0.5
161.05933	0.4
161.09596	0.9
161.13228	1.1
163.07510	1.1
163.11151	2.0
167.08537	2.0
169.10124	1.9
171.11699	2.5
172.08926	0.4
172.12494	1.8
173.09610	7.1
173.13260	6.3
174.06763	0.5
175.11198	1.8
177.09094	1.5
182.10901	5.0
185.09592	1.1
186.10381	0.8
187.07607	0.9
187.11223	2.6
187.14786	8.8
189.09125	1.0
189.12708	2.2
191.03383	1.3
191.07106	0.4
191.10626	1.1
191.14340	2.5
197.06006	0.7
197.13263	10.8
200.11980	1.9
205.15889	0.7
215.07071	1.5
215.10793	1.2
215.14311	26.9
233.08289	1.9
233.12016	5.4
233.15356	100.0
254.66724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03932	1.8
55.01863	0.7
55.05524	2.6
56.96556	0.9
57.03426	0.5
57.07054	2.0
59.04987	0.6
67.05512	3.2
69.03437	3.9
69.07065	2.9
70.60798	1.3
71.04983	1.7
77.03938	0.7
79.05493	30.0
81.07050	2.6
83.04972	2.1
83.08608	3.0
85.02897	1.1
85.06546	2.9
91.05473	7.8
93.07040	6.1
95.04970	6.2
95.08599	3.1
97.06534	4.2
99.08119	0.6
102.20408	0.5
105.04549	0.5
105.07030	8.9
107.04955	31.0
107.08590	9.3
109.06512	2.1
109.10123	0.7
111.04404	0.8
111.08105	3.3
113.06000	1.7
115.05437	0.6
116.06216	0.5
117.07033	4.5
119.04939	0.4
119.08587	13.0
121.06499	1.7
121.10150	4.7
123.08054	1.6
123.11601	0.5
125.09641	2.0
128.06247	0.6
128.77837	0.4
129.06992	1.7
130.07791	1.2
131.08574	12.1
133.06496	1.1
133.10127	9.9
135.08035	3.6
135.11687	0.7
135.41566	0.5
137.05980	2.0
137.09610	5.0
142.07745	1.7
143.08539	2.4
145.06566	0.6
145.10127	12.5
146.10905	1.3
147.08041	13.8
147.11687	13.5
149.09616	5.2
149.13264	1.9
153.09055	0.5
156.09364	1.5
157.10130	7.6
158.10883	1.9
159.08017	1.3
159.11671	1.6
160.08835	1.8
161.09637	0.5
161.13268	1.1
163.11176	3.6
167.19760	0.5
169.10025	0.7
171.11658	2.6
172.12440	0.9
173.09677	1.3
173.13275	11.0
174.10471	0.5
175.11186	21.8
177.09091	0.7
182.10933	1.1
187.11229	0.6
187.14848	4.4
189.12749	7.9
191.14305	43.1
197.13246	3.4
205.15910	0.6
212.10748	0.5
215.14328	9.8
233.15363	100.0
234.15671	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1539
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03939	1.2
53.25522	0.7
55.01861	2.1
55.05502	3.3
56.05030	2.0
56.96557	4.1
57.03433	1.8
57.07062	2.0
58.06598	0.8
59.04981	1.6
60.95853	0.7
65.03921	1.7
67.05508	9.2
69.03434	5.2
69.07076	9.9
70.90501	2.0
71.04977	1.8
74.06084	16.9
79.05505	11.1
81.03406	1.5
81.07062	7.5
83.04978	1.5
83.08604	1.5
85.02886	1.7
85.06493	2.0
86.09707	4.9
91.05486	18.8
93.07063	9.2
95.04974	12.8
95.08613	5.2
96.03712	0.7
97.02893	0.7
97.05917	1.5
97.06535	28.6
97.10162	1.0
98.97572	3.0
103.05431	1.5
105.07032	10.5
107.04963	6.0
107.08615	7.4
109.06515	4.7
109.10152	3.9
115.05476	1.3
117.07011	4.9
119.04963	4.4
119.08587	11.8
121.06504	10.4
121.10192	5.4
123.04431	1.2
123.08054	2.1
123.11689	1.3
125.09634	1.1
128.06203	1.1
129.06996	2.5
130.07793	0.8
131.04906	0.9
131.08580	11.4
132.10222	3.1
133.06505	1.9
133.10139	6.0
135.04465	1.0
135.08084	3.6
135.11713	1.3
137.05981	20.9
137.09618	2.3
139.03893	1.1
141.07025	1.1
142.07748	1.6
143.01988	0.9
143.08557	2.1
144.05762	1.0
144.09216	1.2
145.06474	3.2
145.10118	11.7
147.04468	1.6
147.08057	2.2
147.11690	3.1
149.06027	1.6
149.09590	7.0
151.11168	0.7
155.08601	2.0
156.09378	1.7
157.10100	3.8
158.10898	1.5
158.99680	1.2
159.04422	1.0
159.08055	8.2
159.11670	6.7
161.09561	2.1
161.13255	1.7
163.03917	0.9
163.07550	1.3
163.11104	1.0
167.08591	1.1
169.06502	1.1
169.10185	2.3
171.11676	3.6
172.05124	1.3
172.12474	1.0
173.06003	1.8
173.09633	3.9
173.13283	6.2
175.11191	2.3
177.09091	3.0
182.10963	3.9
187.02765	1.2
187.07565	2.0
187.11192	2.0
187.14793	8.2
189.09186	3.9
189.12717	2.3
191.03424	11.7
191.07047	1.0
191.14320	4.9
197.06038	1.4
197.13249	6.8
200.11948	1.6
205.12129	1.1
205.15843	1.1
215.07065	3.3
215.10718	2.4
215.14320	22.1
215.17693	1.4
233.08099	6.7
233.11888	15.3
233.15364	100.0
233.19115	4.0
233.22154	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	233.1535
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
51.02365	1.1
53.03945	3.2
55.01863	2.1
55.05515	8.1
57.03428	1.5
57.07070	0.8
65.03927	1.7
67.05505	20.1
69.03400	0.7
69.07069	12.4
71.04980	2.7
71.56720	0.7
73.06551	1.3
73.37496	0.7
77.03916	0.7
79.05494	30.7
81.03386	1.7
81.06597	1.0
81.07059	20.0
83.04950	2.5
83.08599	2.7
85.06529	1.8
89.89244	0.8
91.05478	64.2
93.04676	0.6
93.06474	1.2
93.07040	21.9
95.04966	5.9
95.08602	11.5
97.06007	0.5
97.06529	4.6
97.10116	0.9
99.08062	0.8
103.05465	5.2
105.07030	66.7
107.04952	10.6
107.08591	10.8
109.06509	3.4
109.10152	2.2
109.85736	0.7
111.08047	1.0
115.05419	1.5
116.06235	1.8
117.07013	19.3
118.07806	0.8
119.04946	0.7
119.08582	46.4
121.06498	8.5
121.10152	4.6
123.08047	2.6
129.07004	6.2
131.08568	37.3
133.06490	4.0
133.09239	1.0
133.10138	11.6
135.08051	4.3
135.11681	1.4
137.05945	0.9
137.09579	1.4
141.06982	2.9
143.08557	3.0
145.06480	0.7
145.10117	14.1
147.08025	4.3
147.11662	1.1
149.05968	0.7
149.08095	0.6
149.09627	2.5
155.08540	4.5
156.09373	1.1
157.10083	1.2
159.08040	1.5
159.11671	3.4
161.09584	0.9
161.13268	1.3
168.09329	1.0
169.10115	3.8
171.11644	6.1
171.12825	0.7
173.09593	2.2
173.13275	10.4
182.10979	0.8
185.13242	0.6
187.11221	2.4
187.14825	8.7
189.12813	1.1
191.14284	1.4
197.13261	9.2
205.15820	4.3
215.14340	10.5
233.15356	100.0
233.19107	2.5
233.22688	1.7
236.15427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1497
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
53.28459	0.4
56.05036	15.4
57.03444	2.9
58.06596	3.1
62.26402	0.3
64.57338	0.3
66.71501	0.3
70.72015	1.1
74.06082	100.0
75.16516	0.3
84.04516	2.4
86.09707	19.8
101.07159	2.3
126.12798	0.5
132.10211	18.3
133.44690	0.3
142.12294	0.7
143.11816	0.5
169.13321	2.4
187.14420	10.0
192.03821	0.4
215.11972	0.5
215.13899	5.0
233.14961	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	233.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55387	0.4
56.05038	16.4
56.96596	0.4
57.03436	2.7
57.28420	0.3
58.06608	3.5
62.60800	0.3
70.94662	0.7
73.08356	0.4
74.06083	100.0
74.54413	0.3
75.04468	0.4
84.04509	2.8
86.09708	20.4
86.51381	0.3
98.97581	0.4
101.07126	1.6
109.84843	0.4
126.12858	0.5
132.10210	19.5
141.13899	0.5
142.12263	0.8
143.11838	0.5
157.29248	0.3
169.13382	1.2
187.14417	11.5
188.68680	0.3
215.13910	5.3
233.14969	16.2
247.92676	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
53.18379	0.3
55.01875	3.1
57.03432	0.6
63.83539	0.3
64.41835	0.3
65.03944	1.2
65.77934	0.3
67.05505	2.6
69.03436	0.9
69.07071	24.2
69.61613	1.1
69.62023	0.7
74.06083	0.7
74.52454	0.3
79.05497	10.3
81.07069	0.9
83.04981	0.6
91.05486	34.1
91.13047	0.3
93.07058	0.5
95.04985	0.6
97.06535	54.0
99.54958	0.3
103.05463	0.4
105.04564	0.3
105.07042	0.4
107.04955	1.7
109.06530	1.9
117.07049	0.4
119.04949	19.1
119.08680	0.4
121.06546	1.0
123.04531	0.3
129.06955	0.3
130.07813	0.3
131.04987	0.4
133.06487	0.6
135.04430	1.0
136.05219	1.9
137.05984	100.0
147.04381	3.1
149.06021	1.9
159.04399	0.6
163.03940	1.8
163.07605	0.6
173.05966	0.8
174.06697	0.3
175.45827	0.3
187.07556	0.7
189.09109	3.7
215.07010	0.7
215.10678	1.0
220.33070	0.3
233.08055	0.8
233.11739	15.2
233.15451	0.8
253.16127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
53.03940	0.6
55.01876	2.8
56.05045	0.4
56.96553	0.4
57.03446	0.3
65.03944	1.1
66.92695	0.2
67.05513	2.0
69.03420	0.8
69.07069	31.1
69.41177	1.5
74.06074	2.7
77.03926	0.3
79.05496	5.8
81.03419	0.3
81.07055	1.2
83.04980	0.6
86.09713	0.7
91.05482	29.2
93.07055	0.4
95.04947	0.3
97.06532	24.1
98.21505	0.5
105.07050	0.6
106.94632	0.2
107.04905	0.7
109.06493	1.9
117.07008	0.3
119.04943	19.0
121.06503	0.8
121.58251	0.2
131.08479	0.4
132.10225	0.6
133.10162	0.3
135.04404	0.7
135.08069	0.7
136.05208	2.6
137.05978	100.0
138.06337	0.6
145.06551	0.3
145.10120	0.3
147.31487	0.2
149.05920	0.7
163.03905	2.5
171.81796	0.3
173.06029	0.5
186.06837	0.3
187.11118	0.2
187.14531	0.3
189.21429	0.3
191.07027	0.4
202.29454	0.3
215.10692	1.3
215.14006	0.4
233.11722	13.5
233.15228	0.7
252.22119	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28833	0.7
56.96564	38.9
57.03417	3.0
58.46264	0.7
61.02919	2.2
62.09809	0.7
63.73488	0.7
69.03410	2.4
69.90810	4.0
70.98112	1.8
70.99851	1.2
71.95250	1.0
72.08139	2.7
72.17503	0.7
73.02902	4.8
74.06068	1.7
74.97596	1.0
81.63216	0.8
82.99825	5.9
84.96033	3.2
85.01408	2.6
85.02898	6.0
86.03262	1.2
86.09709	5.4
88.66785	0.7
89.00864	1.0
89.92316	0.7
97.02879	3.5
98.97587	18.3
99.04478	0.7
99.97918	1.1
100.99149	11.4
101.00880	45.7
102.00980	1.1
103.00637	0.9
103.02441	6.7
110.96833	1.1
110.97569	15.2
111.97890	1.3
112.99115	1.0
113.00851	2.9
115.02441	17.4
116.98606	3.6
119.00156	3.4
119.01920	60.4
119.97272	0.8
120.02048	0.9
121.01645	1.5
121.03457	1.2
126.97011	4.1
127.03881	1.1
128.02330	1.6
128.98599	9.3
129.59026	0.8
130.96603	0.7
131.01904	8.0
133.03471	100.0
134.99657	1.2
137.02946	5.8
137.05905	1.2
140.02281	1.6
140.98636	1.2
143.01898	15.0
144.98116	6.6
145.01627	1.5
145.03471	3.2
146.02293	1.6
146.99669	5.9
147.01373	1.1
147.05009	4.6
149.01228	1.5
149.02950	3.4
151.04527	22.6
152.52420	0.9
154.96489	1.2
155.01839	1.7
156.04994	1.1
157.03423	1.0
158.99678	3.7
159.05016	1.1
161.01520	1.5
161.02943	24.8
162.99092	3.8
163.02678	1.4
163.04585	1.0
165.00735	5.5
165.06111	3.4
170.03236	0.9
170.99664	3.1
172.97607	6.4
173.02962	44.1
174.03159	1.2
175.04582	6.7
177.00710	2.1
177.02284	1.0
177.06067	1.7
182.03366	1.1
182.53535	1.6
183.01775	1.9
183.03453	0.8
184.04556	1.2
185.02913	1.3
186.99124	1.8
187.00768	1.2
187.02728	1.8
187.04446	2.6
189.00691	2.4
189.02335	1.9
189.06071	5.2
190.98647	18.2
191.02434	3.1
191.04004	72.7
191.54004	2.2
192.04060	2.0
200.04471	1.1
200.54599	3.7
201.00751	1.2
201.02451	8.6
201.04349	1.2
207.01868	1.4
208.99687	21.4
210.02423	1.4
214.05673	2.2
215.03987	3.3
219.01727	1.5
219.03529	11.2
227.00758	2.0
232.96542	0.9
233.05060	48.0
233.15216	1.0
251.00706	1.1
251.06088	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96297	1.7
56.96566	26.3
57.03434	2.6
61.02916	1.3
66.34196	0.9
69.03415	3.0
69.07052	2.1
70.06578	1.9
70.85076	2.9
70.98109	4.4
71.95261	1.2
72.06870	1.1
72.08144	1.6
73.02902	3.0
74.06072	1.6
74.97614	1.2
81.03428	1.4
82.99830	8.1
84.96035	2.5
85.02885	4.7
86.09703	38.8
87.04457	1.2
88.99123	1.2
97.02891	3.2
98.96935	2.6
98.97585	48.1
99.04406	1.4
100.99158	2.5
101.00882	51.7
109.02887	1.6
110.97573	11.5
112.99129	5.4
113.00863	3.7
113.45009	1.1
115.02434	17.0
116.98620	18.0
119.01920	61.9
120.02024	2.0
120.06576	1.6
124.95515	1.5
126.97028	2.0
127.03976	1.3
128.98616	9.1
131.00171	3.5
131.01901	9.9
133.03471	90.2
134.99677	3.1
137.02992	6.9
140.98656	1.6
143.00146	2.4
143.01900	17.5
144.98056	2.3
145.01706	2.7
145.03522	1.5
145.04944	1.5
146.99654	3.5
149.01242	2.8
149.02954	5.6
150.98109	1.2
151.04530	15.4
154.96489	2.6
158.99631	5.0
159.01439	1.2
161.01147	2.2
161.01411	2.4
161.02946	30.8
161.04332	1.9
165.00774	2.6
168.99255	2.6
170.96091	1.6
170.99667	1.7
172.94350	6.1
172.97568	10.6
173.01378	4.0
173.02962	59.7
173.33937	1.3
177.00757	5.4
177.02295	1.1
179.03993	1.4
187.00325	5.4
187.02725	1.9
188.97174	1.6
189.00748	3.2
190.95384	3.5
190.98682	10.7
191.02341	6.3
191.04002	100.0
201.00790	1.3
205.01376	3.3
208.99738	4.9
214.05624	1.7
214.95419	3.5
214.98663	2.0
215.09404	1.4
215.13977	1.2
219.01874	2.8
220.99629	1.3
221.05122	1.7
232.96457	12.4
232.99757	3.4
233.02870	3.0
233.05098	56.5
233.10458	4.0
233.15001	2.9
250.97537	4.1
251.00743	4.0
251.06125	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1545
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
51.56108	0.2
53.98898	0.2
56.05037	0.3
56.96572	0.5
57.03438	1.6
58.06602	0.5
59.07376	0.3
60.08168	9.0
69.00729	0.2
69.03411	0.2
69.79906	0.4
69.80308	1.0
71.05007	1.7
71.94466	0.2
72.08162	1.2
72.69717	0.2
73.08490	0.6
74.06083	0.8
84.08163	0.3
85.02909	100.0
86.09700	0.4
87.10044	0.3
89.06055	0.3
97.02905	0.4
97.03740	0.2
98.06053	0.2
98.20845	0.4
98.97587	0.7
110.97555	0.2
116.07104	0.4
117.34309	0.2
129.07857	0.3
132.10295	0.2
136.06207	0.3
144.10211	1.8
155.04637	0.3
173.08109	10.3
177.00679	0.3
232.15440	33.0
240.25421	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01870	3.6
56.96293	1.8
56.96567	29.6
57.03439	25.9
61.02932	12.2
69.03432	15.2
69.35899	5.5
69.36305	1.5
70.02973	1.1
70.98117	1.4
71.01347	1.4
71.05006	2.1
71.95292	1.3
72.08141	2.7
73.02921	29.1
73.24617	0.9
74.00255	2.1
78.10717	1.0
81.01055	1.1
81.03419	8.0
83.00795	1.8
84.96029	3.2
85.02908	52.7
87.01034	1.4
87.04475	2.8
87.05580	1.8
89.00777	2.2
90.01581	1.3
91.03956	3.2
94.06561	4.3
94.16652	0.9
95.00756	3.9
96.01542	2.0
97.02893	27.8
97.96778	1.1
98.01283	1.7
98.21461	1.9
98.97588	100.0
99.04449	4.1
100.99143	3.6
101.00798	9.9
101.02364	1.1
102.01538	2.0
104.01286	4.6
107.00772	1.2
108.01513	1.3
109.02889	6.3
110.01282	15.7
110.02388	1.6
110.97575	50.1
111.02053	1.8
112.99146	4.1
113.00838	1.3
115.02444	2.4
115.03905	1.2
116.01251	4.8
116.98620	27.2
117.02057	1.9
119.01826	28.7
122.01295	2.3
124.99145	3.9
125.01814	4.9
126.97051	1.3
127.03082	1.3
127.03930	12.3
127.08681	1.9
128.01360	2.0
128.02325	8.2
128.98611	28.1
129.02094	1.1
131.00200	12.0
131.01794	11.3
133.03487	5.3
134.01329	1.5
134.99670	4.6
137.01804	6.7
137.02788	1.3
138.02602	2.0
139.01566	1.6
140.00185	2.2
140.02307	15.0
140.98576	3.2
143.00191	5.4
143.01820	8.9
144.98100	3.0
145.04985	10.5
146.02312	26.1
146.03407	1.8
146.99660	7.8
147.03148	2.2
149.01216	17.2
149.02806	6.2
151.00742	1.1
151.04512	1.3
152.00363	1.2
152.02313	17.8
152.07042	4.8
152.52519	1.1
152.98622	2.6
155.00172	1.8
155.01740	1.5
155.02855	14.8
158.99669	24.2
159.03156	1.1
159.73033	1.0
160.01379	1.1
160.02814	1.9
161.01425	1.9
161.02849	28.7
164.03418	1.1
167.02666	3.3
169.02611	3.8
170.03366	6.3
170.99666	37.6
172.01355	1.3
172.02907	1.1
172.97537	1.7
173.02875	10.8
173.09299	1.9
177.00705	13.3
181.01868	2.1
182.03363	43.4
182.53525	1.6
182.99699	6.4
185.02852	1.7
186.03078	2.3
187.01929	1.4
189.00714	22.9
190.00279	1.3
190.03964	1.4
190.98718	4.7
191.02271	17.0
191.03918	67.0
191.54103	2.8
195.01808	1.2
198.07671	2.8
200.04428	98.4
200.54619	3.4
201.00757	9.1
202.54773	1.7
207.01912	2.4
208.99666	5.4
209.03249	2.5
209.04947	26.6
209.55247	1.6
211.55258	5.7
213.00742	1.5
215.10394	2.5
219.01778	16.5
220.55898	1.2
225.00496	1.2
231.01773	3.3
232.04811	3.3
233.05081	2.8
237.02831	9.0
243.01820	3.8
249.02931	1.5
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	Val Ile
Peak:m/z	Relative Intensity
50.36095	0.2
52.71601	0.2
53.03945	0.4
55.05515	9.7
56.74613	0.2
56.96563	0.6
57.03425	0.3
57.05819	0.9
58.97916	0.2
67.05494	0.3
69.03434	1.7
70.06567	0.3
70.20222	0.6
72.08160	100.0
78.00667	0.2
79.05531	0.2
81.03431	0.7
81.07079	0.4
83.04961	0.2
85.02930	1.0
86.09711	5.2
87.00842	0.5
91.05492	0.3
93.07074	0.2
95.04995	0.3
96.58654	0.2
97.02908	0.7
98.97590	1.1
99.04471	0.6
109.02890	0.6
113.06001	0.2
116.98615	0.4
127.03955	0.6
132.10205	3.9
132.11136	0.2
150.04399	0.2
158.99731	0.2
185.16525	1.3
231.02927	0.4
231.12090	0.4
231.17061	5.0
231.19193	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.8
55.05515	38.4
56.04790	1.4
56.05043	18.0
56.96556	1.1
57.03431	3.2
57.07085	1.1
59.04982	1.3
59.06675	0.7
60.77732	0.9
63.00040	0.9
65.03960	0.9
67.05508	41.0
68.05023	1.0
69.03083	1.2
69.03434	18.7
69.07069	11.1
70.02945	2.9
70.06584	2.0
71.04980	3.4
71.56197	0.7
71.56539	1.1
79.05499	27.7
79.05964	1.3
80.55064	0.7
81.03427	1.5
81.07061	44.9
82.06585	3.2
83.04989	3.9
83.08617	14.6
85.02897	2.4
85.06536	2.7
87.04479	1.0
91.05485	15.6
93.07050	29.6
93.07633	1.8
95.04960	2.0
95.08614	13.3
96.08111	2.3
96.63734	0.8
97.02888	2.4
97.06540	4.5
97.10174	29.4
98.06045	2.4
98.97581	3.4
99.04458	0.8
99.08153	0.9
105.07026	3.5
107.04930	2.3
107.08600	29.5
109.06522	1.5
109.10157	9.4
110.09696	1.4
111.04468	1.0
111.08082	4.2
112.07601	0.9
113.05984	0.9
116.98587	1.3
117.07057	4.8
119.08558	2.2
121.10184	4.5
121.13090	0.7
123.08058	1.1
125.09637	18.5
130.06523	1.0
131.08575	3.7
133.10136	5.4
135.08075	5.9
135.11699	10.5
139.07527	0.9
147.11653	1.5
149.09631	0.8
149.13266	26.5
153.09129	3.2
159.10475	1.3
159.11682	8.9
167.14334	3.3
171.10182	3.9
173.08340	1.1
177.12759	10.1
185.02824	2.0
189.11230	4.8
194.15410	31.7
195.13828	11.0
201.07893	1.1
202.12274	3.4
212.16469	100.0
213.14880	7.2
218.02103	0.9
218.52509	0.8
219.02007	1.4
230.10077	1.0
230.11850	10.1
230.17531	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	230.1177
Annotation	Trietazine
Peak:m/z	Relative Intensity
53.03931	0.3
53.21037	0.3
55.01854	0.4
55.05497	0.9
56.96300	0.3
56.96566	4.6
57.03432	1.1
57.07064	0.4
59.05288	0.3
61.02919	0.8
65.03944	0.5
67.05510	1.4
69.03428	4.0
69.07062	0.9
70.03020	1.3
70.06580	1.2
71.04970	0.6
72.08152	1.4
73.02910	0.8
76.85189	0.3
79.05483	1.2
81.03408	0.9
81.07073	1.5
83.04939	0.5
84.08121	1.1
84.96043	0.9
85.02911	3.3
85.06535	0.3
86.09696	2.0
87.00832	0.3
87.04446	0.6
88.03973	0.4
91.05482	1.3
93.03411	0.7
93.07040	0.9
95.04951	0.5
95.08601	1.0
97.02899	3.7
97.06530	2.2
98.06031	0.6
98.97587	6.5
105.07042	0.4
107.04933	1.3
107.08575	0.4
109.02884	0.6
109.06497	0.8
109.10156	0.7
110.97566	1.6
111.04450	2.3
114.71983	0.3
116.07090	0.4
116.98621	2.6
119.01807	1.1
119.04949	0.4
119.08596	0.5
120.08092	0.3
121.06462	0.4
123.08072	0.4
124.99132	0.4
126.05576	0.3
127.03947	0.7
128.02321	1.2
128.98639	1.6
129.07039	0.6
129.10228	0.3
130.06532	14.9
131.07314	3.8
131.08307	0.5
132.08083	1.0
134.99657	1.0
135.04410	3.0
135.08000	0.3
137.05991	1.4
137.09573	0.4
139.03896	4.7
140.14349	0.5
141.09105	0.6
143.00198	0.5
143.08545	0.5
144.05670	0.3
144.08105	4.1
145.05032	0.3
145.06421	0.4
145.08879	7.2
145.10104	0.8
146.05969	0.7
146.09634	1.3
146.99597	0.4
152.98572	0.7
155.07352	0.7
156.08096	0.5
156.11513	0.3
158.06065	1.8
158.09650	4.9
158.99672	1.2
159.08096	0.5
159.10437	7.6
160.07625	0.5
160.11258	1.4
161.01251	0.8
162.09128	0.4
163.03891	1.2
168.08006	0.5
169.08881	0.9
170.99696	0.8
172.07556	3.7
173.04793	0.3
173.08366	12.4
173.09656	1.4
174.09140	2.3
174.12767	1.7
176.03311	0.3
177.00687	1.1
177.03105	0.3
178.03992	0.4
181.04985	1.5
183.06844	0.7
184.07559	0.4
184.09741	0.4
184.11238	2.4
185.09689	0.3
186.09233	0.6
186.14883	1.0
187.09918	4.9
188.10730	0.5
188.96219	0.7
189.00731	0.3
189.04155	0.3
191.00290	0.5
193.01703	0.3
194.15443	0.8
197.08394	1.0
198.04532	0.5
200.05295	0.6
200.07111	0.9
201.00684	0.9
201.07802	5.2
201.09334	0.5
202.12271	34.1
206.99731	0.4
209.01636	3.7
209.05707	1.1
209.51802	0.5
210.01555	0.7
211.02731	1.4
212.10732	1.3
212.12859	0.4
212.16435	2.8
218.02203	3.2
218.06168	0.5
218.52354	1.0
219.01787	3.0
227.02278	1.4
229.03830	0.4
229.52959	0.9
230.11769	100.0
237.00648	0.8
237.02844	2.1
243.05479	0.3
244.98923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1176
Annotation	Trietazine
Peak:m/z	Relative Intensity
54.43357	0.5
55.05500	0.6
55.36179	0.4
56.96564	6.0
57.03405	0.8
57.64272	0.4
60.08169	0.6
67.05489	1.0
69.03436	3.3
69.07066	0.9
70.06596	3.9
71.04967	0.5
71.06914	0.7
72.08154	2.8
73.02922	1.1
75.94132	0.6
79.05495	0.6
80.04997	1.2
81.03410	1.0
81.07066	0.5
84.04514	1.1
84.08131	2.0
84.96016	1.2
85.02419	0.9
85.02902	9.8
86.06062	1.1
86.09689	1.8
87.04453	1.0
91.05454	0.7
95.08588	0.5
97.02882	2.1
97.99184	1.1
98.06049	1.3
98.20699	1.0
98.97585	7.8
99.04457	0.5
100.07617	0.5
101.00878	1.3
105.07036	0.9
111.04441	0.7
112.11195	0.7
116.00279	0.6
116.98605	6.0
119.01907	2.6
127.03899	0.8
128.98592	0.6
129.10199	0.6
130.06509	2.5
132.08054	0.5
134.99625	2.5
135.04433	1.7
137.05946	0.6
139.03896	1.5
144.08104	0.9
145.08968	0.9
145.10109	0.6
146.09676	0.7
146.99617	0.8
149.03018	0.9
151.07623	0.4
155.07307	0.6
156.08078	1.4
158.09631	1.1
158.99631	0.8
159.10446	1.3
160.95090	0.5
162.05470	0.8
165.00696	0.5
167.00311	0.5
168.08119	0.6
170.99681	0.6
171.01332	0.5
171.06456	1.4
172.04523	0.7
172.07475	0.6
173.08328	2.4
173.09660	0.6
174.09155	1.0
174.12753	0.8
177.00671	0.5
183.06764	0.7
184.07629	2.4
184.09700	0.6
184.11218	2.5
186.11290	1.1
186.14867	0.6
189.00888	0.7
189.02435	3.1
194.08264	0.7
198.05762	0.7
200.07114	1.9
201.07843	57.4
202.08626	13.0
202.12242	7.6
209.01619	1.3
212.05476	0.7
212.09000	0.8
212.10907	3.0
212.12672	0.8
214.08827	0.6
218.02228	1.2
219.01787	0.8
227.02373	0.9
230.11772	100.0
230.13597	4.0
231.12019	0.8
237.02783	1.1
248.13054	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.07
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98632	0.4
56.96565	23.8
58.96139	0.3
60.82978	0.2
69.56394	1.4
69.56799	0.6
70.06570	0.6
70.98122	0.8
71.06908	0.3
71.95276	2.6
72.96046	1.5
74.97626	0.6
83.97633	0.9
84.96040	1.1
86.09708	3.1
88.99149	0.4
98.97584	100.0
101.00877	0.4
103.00687	0.3
110.97561	0.6
113.03482	0.3
113.83342	0.3
115.00685	0.4
116.00226	2.1
116.98620	40.2
120.02002	0.5
124.00738	0.7
126.02257	0.9
127.00729	0.3
128.98587	0.5
131.00131	0.3
134.01262	1.2
134.99661	9.6
140.00186	0.7
140.03821	1.8
142.05399	2.0
143.08966	0.4
146.99603	0.8
148.54071	0.6
153.00760	0.4
153.02267	0.4
158.01183	0.4
158.04915	1.8
158.64648	0.3
160.06433	2.1
170.04878	1.4
171.03300	3.4
188.05882	1.8
189.00668	0.7
189.04333	8.7
202.07458	0.7
206.07022	6.6
207.01743	0.8
207.05409	3.0
212.05902	1.5
224.08066	6.1
229.56856	0.3
230.06998	15.3
230.15800	2.4
231.05322	1.7
248.08063	19.6
249.06386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.01859	2.5
55.05271	2.2
55.05513	29.4
56.96557	2.8
57.03440	12.3
57.07061	4.9
59.05004	3.3
60.08162	2.2
65.03922	1.5
65.30140	1.6
67.05505	85.3
69.03446	1.2
69.07068	26.1
71.04998	10.1
71.08617	1.4
73.06560	1.7
79.05495	22.3
81.07058	88.2
83.04964	6.0
83.05399	1.3
83.08152	1.6
83.08618	20.6
85.06552	16.7
91.05479	26.3
93.06487	1.5
93.07047	23.7
95.08609	100.0
97.06529	22.3
97.10140	6.3
98.97565	1.2
99.00806	2.1
99.08108	10.0
105.07035	28.0
107.08607	11.3
109.06507	5.2
109.10159	58.1
111.08097	7.1
113.09615	2.3
115.05508	1.6
115.07558	3.0
117.07031	11.1
119.08586	43.0
121.10130	13.0
123.08053	6.5
123.11676	3.0
129.06999	2.4
131.08574	18.7
133.10123	30.2
135.11687	14.6
137.09634	6.4
137.13269	11.0
141.09084	1.9
143.08540	3.0
145.10123	15.8
146.91817	3.3
147.11722	8.6
149.13258	2.8
151.11122	1.6
151.14813	2.8
155.10652	5.4
157.10146	2.2
159.11702	10.7
161.13261	79.2
169.10156	2.9
171.11667	1.8
173.11708	14.8
173.13229	6.8
177.69670	1.3
179.14310	52.9
185.13220	2.8
187.14871	2.7
187.61299	1.8
197.15295	11.7
211.14818	3.3
211.16772	2.1
229.08678	1.5
229.12291	2.6
229.14124	21.1
229.15938	6.3
229.19608	36.6
229.23331	2.2
229.27188	22.1
230.11810	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13515	2.9
55.01860	5.0
55.05503	10.7
57.03439	15.2
57.07064	3.3
60.34750	3.2
63.01522	2.9
67.05508	60.1
69.03426	8.3
69.07057	13.8
71.04992	4.2
71.56844	5.3
79.05490	17.6
81.07057	45.5
82.07344	3.7
83.04984	11.4
83.08621	6.9
83.97658	3.7
85.06522	7.5
91.05490	41.3
93.07047	24.8
94.44646	4.5
95.04954	3.3
95.08620	15.6
98.97523	4.9
98.98489	20.0
105.07044	46.5
107.08588	35.4
109.06545	6.3
109.10152	65.3
117.07025	14.2
119.08569	18.9
121.10144	6.2
123.11699	21.1
129.07062	6.2
130.07690	2.8
131.08595	32.0
133.10138	100.0
135.11765	5.0
143.08519	5.3
143.86812	3.8
145.10149	27.1
146.91808	6.1
147.11705	11.9
151.07489	3.9
151.11189	79.5
155.01047	23.1
155.10660	4.1
159.11720	19.3
161.09697	3.9
161.13319	3.4
171.11655	4.9
173.09656	5.5
173.11853	5.3
173.13277	20.3
179.10689	12.3
183.13771	17.8
183.71675	3.1
185.13203	3.5
187.14851	11.8
228.97768	4.7
229.12308	6.7
229.14110	6.0
229.15927	14.9
229.19533	99.0
229.23454	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	229.1435
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.01869	7.3
55.05516	9.0
56.96560	1.7
57.03426	6.0
57.07081	1.9
59.04970	1.6
67.05511	45.0
68.77555	1.8
69.03408	5.9
69.07068	9.5
70.18150	1.6
71.00443	1.5
71.00779	3.3
71.04945	1.7
71.64178	1.4
79.05498	11.0
81.06592	2.2
81.07059	36.4
83.04996	11.3
85.06530	6.0
91.05482	31.6
93.07048	21.1
95.04944	4.3
95.08587	4.8
98.98468	10.7
99.08117	2.2
103.29039	1.4
105.06402	2.8
105.07042	33.4
107.08602	32.9
109.06496	5.1
109.10160	55.5
117.07008	2.1
119.08583	4.7
123.11719	14.0
127.07497	2.6
131.08582	3.5
133.10139	100.0
145.10112	1.9
151.11191	90.5
155.01065	7.1
159.11594	2.1
161.09550	3.8
173.09621	2.1
173.43314	1.6
179.10684	11.5
183.13820	18.1
211.13208	2.3
229.12340	2.9
229.16209	7.2
229.19501	4.7
229.23592	3.6
233.40274	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.01884	7.3
55.05516	10.6
56.96553	2.4
57.03419	6.9
57.07052	1.9
60.47013	1.5
67.05507	48.1
69.03429	4.7
69.07085	8.6
69.33588	14.1
71.04983	3.0
73.96732	1.7
79.05486	11.9
81.07063	39.3
83.04980	11.4
83.08612	1.8
85.06531	6.9
91.04967	2.7
91.05486	32.6
93.07047	21.7
95.04976	4.6
95.08624	7.6
97.06540	4.0
98.21571	2.6
98.98452	11.6
99.08083	3.3
105.06387	2.8
105.07037	35.5
107.08599	35.1
109.06502	5.5
109.10161	67.8
117.07002	4.2
119.08557	6.6
123.11709	20.2
131.08571	7.4
133.10138	100.0
143.08524	3.2
145.10123	4.6
146.91878	1.6
147.11662	2.2
151.11189	95.4
155.01048	11.3
155.08591	1.7
157.10101	2.5
159.11676	5.0
161.09631	3.5
173.09599	2.6
173.11865	2.6
173.13269	3.0
179.10678	13.5
183.11469	2.1
183.13834	20.3
185.10117	1.9
196.60847	1.7
211.13277	2.1
229.12204	3.3
229.14017	3.0
229.16266	8.1
229.19626	11.1
229.23425	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	229.1435
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
51.44708	0.4
55.01850	1.3
55.05512	10.4
56.96568	1.3
57.03149	1.0
57.03438	19.9
57.07083	1.3
59.05001	6.4
65.03940	1.4
67.05506	100.0
68.04071	0.5
69.03432	1.5
69.07066	3.0
69.45806	3.1
71.04982	4.4
79.05485	3.0
81.03430	2.1
81.07059	15.5
83.08613	7.9
85.02927	1.0
85.06537	3.1
91.05482	7.6
93.07049	4.1
95.04947	1.1
95.08607	6.4
97.02913	0.8
97.06562	0.6
98.97585	2.2
99.08086	0.9
103.03931	1.8
105.07046	1.7
107.08596	2.6
109.10159	92.2
111.08099	3.9
113.06046	0.6
116.98618	0.8
119.01900	0.6
119.08585	7.6
121.10137	1.5
123.11719	0.7
127.11212	0.6
131.08575	0.5
133.10062	0.6
137.09622	4.7
138.72366	0.5
145.10252	0.7
145.78931	0.6
146.15555	0.6
147.11667	1.0
155.10675	12.8
157.10039	0.6
158.99669	0.8
159.11737	0.6
162.92422	0.5
173.11743	26.8
175.11165	0.9
177.00766	0.6
177.66214	0.6
193.12283	1.7
211.13271	1.8
216.26779	0.6
229.14333	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
55.01888	0.6
55.05508	9.0
56.96566	0.6
57.03434	17.4
57.03701	1.1
57.07081	1.6
59.05006	5.2
60.95855	0.7
65.03938	1.5
67.05503	100.0
69.07076	2.6
69.15004	0.5
70.55132	1.1
70.55496	1.3
71.04981	4.4
79.05499	2.7
81.07056	16.4
83.04977	0.7
83.08611	7.3
85.06550	3.0
91.05477	7.5
93.07034	6.4
95.04978	0.7
95.08605	7.4
97.06525	0.6
103.03918	1.7
105.07036	3.1
107.08586	3.6
109.06555	1.1
109.10153	87.1
110.10478	0.7
111.08093	3.3
117.07024	1.2
119.08584	10.4
121.06499	0.7
121.10104	0.8
123.08038	0.6
125.09659	0.5
128.06160	0.7
128.78400	0.6
129.07001	1.5
130.07738	0.8
131.08534	3.0
133.10089	2.4
133.10979	0.6
135.07936	0.6
137.09601	4.3
141.06898	0.5
142.07716	1.4
143.08542	3.0
145.10132	6.5
147.11678	1.9
149.28226	0.6
151.96558	0.6
155.08562	1.3
155.10664	10.4
156.09300	2.4
157.10147	2.9
159.11705	2.7
169.10063	1.7
170.10869	1.3
171.10313	0.6
171.11676	8.7
172.12396	0.8
173.09483	0.9
173.11743	26.4
173.13136	1.3
176.15039	0.9
181.10011	1.2
183.11641	0.7
185.13148	1.2
186.13982	1.4
186.23131	0.6
187.11096	0.8
187.14789	4.3
189.71347	0.6
196.12375	2.4
211.14894	4.1
229.14169	43.0
229.15836	5.4
229.19298	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	229.1434
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.72951	0.7
53.03933	0.7
55.05512	9.4
57.03438	18.0
57.07090	1.3
59.05006	5.3
67.05505	100.0
69.03451	0.7
69.07073	4.3
70.80833	1.1
71.04997	4.0
79.05479	1.5
81.07059	13.6
83.08620	8.4
85.06549	3.6
91.05483	6.1
93.07040	3.8
95.08611	6.5
102.23928	0.6
103.03934	1.6
105.07021	1.5
107.08603	3.0
109.10156	88.9
111.08076	3.6
115.03977	0.6
117.07018	0.9
119.08591	6.7
129.22823	0.6
131.08597	1.8
133.10103	1.1
137.09633	4.1
145.10130	1.7
155.10677	12.6
159.11693	2.1
162.40559	0.7
167.73576	0.6
173.11748	27.1
173.13141	1.2
186.43874	0.7
204.01071	0.5
229.14319	44.0
229.19379	5.8
229.23470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.01871	10.4
55.05505	13.1
57.03430	11.5
57.07067	2.8
67.05505	65.9
69.07071	17.6
70.07989	14.9
70.08336	3.7
71.04974	2.9
79.05507	16.1
79.38876	3.1
81.07063	71.3
83.04964	5.8
83.08606	9.1
85.06520	5.3
91.05482	15.5
93.07043	10.1
95.04993	4.9
95.08608	16.1
97.06527	10.9
99.08114	3.2
105.07026	34.3
107.08582	11.3
109.06531	6.2
109.10155	46.2
111.08047	3.2
119.08588	28.9
121.10162	24.2
123.08045	5.1
123.11689	32.7
124.03799	2.8
129.07005	4.3
130.01537	3.4
131.08549	5.3
133.10161	6.3
147.11694	100.0
155.10622	4.6
157.10155	8.7
165.12773	43.7
173.11783	10.4
175.11169	10.8
183.13818	3.7
193.12241	9.2
211.13409	4.4
229.14340	53.9
229.19514	4.3
229.23477	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	229.1435
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05513	2.7
55.08656	0.5
56.96560	0.6
57.03438	5.0
57.07090	0.5
59.04988	1.7
67.05507	29.5
69.03419	0.8
69.06721	0.7
69.07069	8.1
69.35558	3.2
70.33231	0.4
71.04987	3.3
75.04480	0.6
79.05510	1.1
80.60680	0.5
81.07061	6.1
83.04990	0.6
83.08618	1.8
85.06536	1.7
89.78690	0.4
91.05484	2.7
93.07047	2.8
95.04973	5.1
95.08612	6.0
98.20818	0.9
98.97578	1.2
101.06026	0.5
105.07037	2.1
107.08606	1.9
109.10159	100.0
111.08070	0.8
117.07018	1.0
119.01913	0.5
119.08591	5.0
121.06496	1.2
121.10149	0.6
123.11724	8.7
127.11194	31.5
131.08603	0.5
133.10136	5.9
135.11729	0.7
137.09615	7.5
139.07539	0.8
143.08615	1.0
145.10132	1.1
146.91862	0.6
149.13409	0.4
151.11212	2.0
155.10670	8.4
161.09605	5.3
168.09337	0.5
169.12276	1.1
173.01233	0.6
173.09573	0.5
173.11760	10.5
173.13145	0.6
179.10689	10.2
197.11729	11.6
211.11485	0.5
211.13336	1.9
229.08640	0.8
229.12129	1.1
229.14265	11.5
229.19621	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.01865	7.8
55.05511	14.8
56.96554	2.6
57.03443	11.6
57.07058	6.0
59.01384	1.5
59.04969	2.1
60.08158	13.6
61.08487	2.9
67.05507	76.1
69.07068	14.5
69.74023	9.9
71.04984	5.7
79.05495	16.5
81.06588	3.7
81.07058	68.6
83.04972	4.6
83.08626	13.6
85.06527	5.7
91.05478	32.9
93.07056	15.1
95.04959	5.8
95.08607	17.0
97.06528	8.6
99.08089	4.2
105.07035	33.4
107.04942	2.1
107.08618	10.7
109.06510	6.0
109.10158	58.6
111.08072	3.5
113.06032	3.0
117.07008	6.5
119.08590	39.1
121.10128	21.6
123.08036	4.3
123.11715	33.0
127.07572	5.0
129.06996	6.6
131.08572	11.5
133.10117	11.2
137.09633	5.4
137.13243	2.6
143.08572	3.4
145.10107	12.0
146.91827	5.1
147.10503	4.1
147.11696	86.3
149.09587	3.5
155.10687	5.2
157.10133	13.7
159.11685	6.6
161.13309	1.7
165.12743	40.3
171.11627	2.6
173.11731	14.2
173.13271	5.7
175.11192	13.5
183.13852	3.3
187.14818	3.4
193.12244	10.3
201.16364	2.3
211.13174	2.5
229.12366	2.7
229.14258	73.3
229.19466	34.9
229.27202	100.0
230.24940	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	229.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.6
56.96565	69.7
57.03443	6.5
58.06597	2.4
59.04989	2.5
59.49586	1.0
60.01383	1.2
60.08152	2.1
60.95835	1.0
61.02930	10.6
63.70059	0.8
68.98273	1.3
69.03428	14.3
69.62039	6.3
70.06251	1.2
70.06592	15.6
70.98114	6.9
70.99846	1.1
71.04974	2.0
71.95265	4.7
72.08146	2.3
72.96042	2.2
73.02919	11.4
74.97608	1.9
75.99989	0.9
77.00822	0.8
81.01006	1.3
81.03420	5.8
82.99842	3.8
83.00758	1.7
83.04961	1.1
83.06071	3.1
83.97619	3.3
84.04486	0.9
84.08114	3.3
84.36777	0.8
84.96031	3.8
85.02430	1.5
85.02906	19.9
85.08476	2.1
86.03230	1.4
86.09691	2.3
87.04468	4.3
88.99149	3.0
89.00784	2.7
90.01550	1.6
90.59727	0.9
91.02311	3.8
91.03925	1.7
95.00797	1.6
96.01570	1.1
97.02338	1.9
97.02892	20.2
97.06470	1.1
97.96760	1.1
97.99213	1.6
98.01257	0.9
98.03225	1.1
98.21507	1.1
98.97585	100.0
99.04437	3.8
99.97901	1.7
100.02879	1.3
100.99117	3.3
101.00884	36.3
101.02538	1.1
102.96877	1.9
103.02303	3.8
104.01296	2.3
105.02046	1.0
107.01793	1.9
108.01521	1.2
109.02250	1.2
109.02882	3.0
109.99120	1.1
110.01258	6.3
110.03075	1.9
110.97586	6.7
112.00739	1.6
112.02815	2.1
112.99140	7.4
113.00838	3.1
114.05533	1.7
115.00666	3.6
115.02376	2.6
115.03912	1.7
116.00202	1.3
116.40019	1.1
116.98627	37.5
117.02021	2.5
117.98962	1.0
118.00990	1.2
118.02832	5.1
118.16727	1.0
119.00174	2.0
119.01907	59.9
121.01664	1.8
124.02810	1.1
124.07580	1.7
124.99131	1.5
126.96923	1.0
126.98773	3.3
127.00687	2.5
127.03997	5.0
128.02315	16.2
128.98624	9.2
129.00264	0.9
129.02133	0.9
129.06593	3.9
130.93288	1.9
131.00166	6.3
131.01852	8.4
132.00652	1.2
133.01707	7.2
133.03459	7.2
133.05064	1.2
134.99680	10.3
135.03159	1.3
137.02925	9.9
139.03334	3.0
140.02312	4.3
140.03883	2.4
140.98563	2.1
141.03043	1.3
142.03592	1.2
142.05403	3.6
142.08624	10.9
143.00116	2.1
143.01872	2.9
144.03378	1.1
144.98074	1.4
144.99878	5.1
145.01723	5.8
145.03415	2.4
145.04993	1.6
146.02345	2.5
146.91824	3.2
146.99649	6.4
147.03113	2.4
147.55811	1.1
148.03867	46.3
148.54022	1.5
148.97784	1.1
149.01218	3.3
149.02893	2.3
151.02744	2.5
153.55833	3.2
154.01921	1.0
154.03883	16.9
155.02834	2.3
156.03508	2.0
156.53764	1.5
157.01628	1.0
157.04471	9.6
158.01144	1.1
158.04866	3.6
158.99686	8.6
159.00993	1.4
160.06476	4.3
161.01208	3.0
161.02924	4.9
162.01755	1.3
162.56422	1.0
163.02786	9.5
163.04382	22.9
165.00719	3.6
168.01836	1.3
168.98149	1.9
168.99783	7.8
169.04411	14.2
169.54642	1.4
170.03368	2.2
170.04901	3.7
170.99690	2.0
172.70927	0.9
172.94240	2.2
172.97621	1.1
172.99394	1.7
173.01216	1.5
173.02898	2.5
173.99541	1.3
174.01726	1.3
175.02734	6.5
175.04535	3.0
176.03331	4.2
177.00723	4.6
177.02354	3.9
177.04123	1.6
178.03406	1.8
178.04944	21.0
178.55038	1.4
181.04065	1.7
182.03354	3.9
182.99696	1.3
183.02386	2.3
184.04880	2.7
186.04367	1.7
186.99081	3.1
187.00830	17.8
187.02724	5.8
187.04611	4.3
188.05957	4.5
189.00716	4.5
189.04350	1.9
190.95366	1.4
191.02310	1.5
191.03896	9.5
192.02751	1.5
192.98688	1.1
193.03798	3.7
196.99295	2.9
197.01128	2.9
197.09203	2.2
199.05418	3.0
200.04428	1.2
201.00671	1.9
205.00116	1.5
205.01839	4.8
205.03816	3.1
205.05643	2.0
206.01662	2.0
206.07028	18.2
207.01782	3.3
211.05122	1.3
213.03363	1.6
214.95341	2.1
215.00369	13.9
215.02252	2.1
219.01756	4.3
220.04080	1.4
220.05995	10.9
223.01151	1.3
223.04800	1.2
224.02711	4.2
224.08076	17.9
228.55988	2.5
229.01610	2.1
229.06563	30.7
229.09680	4.4
229.11984	1.9
229.15454	38.3
229.56557	1.2
230.07010	2.8
232.96371	1.9
235.04843	2.5
236.53447	1.1
237.02826	5.8
247.09613	2.7
248.08116	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	229.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01865	3.4
56.96292	1.1
56.96566	17.3
56.96847	1.0
57.03434	5.1
58.06602	1.8
58.99862	1.7
60.08163	2.8
61.02929	13.7
69.03432	4.4
69.33338	4.3
70.06592	11.4
70.98119	3.5
70.99856	2.2
71.01354	0.8
71.04968	0.7
71.95258	0.8
72.08160	0.6
73.02917	5.5
75.01050	0.8
77.00906	0.6
81.03419	3.1
82.01434	0.7
82.15356	0.6
82.99838	2.9
83.00796	0.7
83.01503	1.2
83.04984	0.6
84.04523	0.8
84.08136	0.8
84.96038	1.5
85.01418	1.0
85.02908	11.0
86.97641	0.6
86.99355	0.8
88.02681	0.8
88.99148	1.2
89.00827	1.7
91.03942	1.4
95.03456	0.5
97.02878	8.5
98.01305	0.7
98.97589	12.6
99.04454	0.7
100.02505	1.2
101.00886	43.8
101.02587	1.5
101.03423	0.7
102.00970	0.8
102.02311	0.8
103.00613	0.8
103.02459	2.8
103.03201	1.4
103.03874	0.5
104.01247	1.4
104.51519	0.5
106.01044	0.8
109.00507	0.6
109.02962	1.8
109.52449	0.5
110.01306	1.4
110.97580	2.7
111.02938	0.8
112.01064	0.5
112.91220	0.5
112.99130	0.8
113.00859	2.1
113.02396	0.7
114.05529	1.9
115.02444	2.9
115.03925	0.7
116.98624	5.1
117.00227	1.1
118.00986	0.9
118.03590	0.8
119.01923	100.0
120.00776	0.7
120.01989	1.4
121.01620	1.6
124.02472	0.8
124.07594	0.8
124.95491	2.7
126.00767	2.8
126.02573	0.7
126.98788	4.1
127.02411	0.6
127.03940	4.7
127.98875	0.8
128.02351	0.6
128.98596	2.9
130.03642	0.8
131.00146	2.3
131.01895	8.2
132.00740	0.7
133.01671	0.7
133.03465	17.4
134.99675	1.7
135.01265	4.5
135.03027	2.6
137.02962	17.5
139.04219	7.3
140.98602	1.3
141.01274	2.2
141.03049	0.6
141.99478	1.5
142.03513	2.3
142.08640	12.1
142.96512	1.4
143.00172	1.1
143.01881	2.4
144.01765	0.7
144.99831	9.7
145.01607	0.6
145.03477	3.4
145.04919	0.8
146.02246	0.8
146.99672	2.0
147.01366	2.6
147.03073	1.2
147.53261	0.9
148.03648	1.0
148.04749	12.5
148.54832	0.7
149.01239	3.1
149.02959	2.0
150.01758	4.6
150.99136	0.6
151.04533	4.2
153.01270	0.8
154.94182	1.3
156.03632	2.0
156.53737	2.6
157.03523	1.5
158.99625	1.6
159.01347	0.8
159.55624	0.7
160.00217	1.0
160.02005	0.7
160.97609	1.4
161.01213	2.2
161.02948	5.6
162.01768	0.6
163.00996	1.0
163.04550	0.9
165.00729	1.1
168.01706	0.6
168.99776	10.6
170.96111	1.2
170.99678	0.8
172.95239	1.4
172.97687	1.2
172.99332	2.9
173.01292	0.8
173.03018	1.8
173.99445	2.4
174.04448	1.4
174.99127	2.3
175.00708	0.9
175.02998	0.9
175.04527	18.5
176.01587	1.4
176.04782	0.9
177.00684	1.5
177.02438	1.5
179.02245	0.9
179.03922	0.6
180.01695	0.6
183.05016	1.8
185.02989	0.6
186.99251	1.7
187.00891	32.1
187.02592	1.7
187.04280	2.8
188.00932	0.7
188.97064	1.9
189.00717	1.8
189.02368	0.9
189.04262	0.6
190.01282	1.1
190.98680	1.8
191.00456	1.2
191.02144	2.2
191.04008	1.8
191.18709	0.6
192.00726	0.7
193.00247	2.1
196.99310	5.4
197.01109	7.1
201.00720	1.0
201.02483	2.1
202.98581	0.7
203.03978	0.7
205.00226	1.0
205.01962	9.9
205.03848	1.3
205.05646	1.4
206.00224	1.0
206.02071	0.9
206.98164	1.0
211.02599	0.7
215.00377	20.6
215.02162	2.0
217.05588	0.7
219.01746	1.5
219.03566	1.3
219.55263	0.5
219.79276	0.5
220.06770	0.8
220.99614	0.8
228.55952	4.6
228.98114	0.7
229.01700	1.5
229.03484	3.1
229.05803	2.1
229.15482	38.5
232.99506	1.2
233.01457	2.2
237.02843	0.8
247.02800	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89761	2.0
53.03931	4.4
54.51798	1.9
55.01871	3.2
55.05517	19.3
56.96557	3.0
57.03436	13.0
57.07077	3.9
57.82210	2.2
64.43288	1.8
65.03943	3.9
67.05506	83.2
69.03403	4.9
69.07072	29.8
69.35814	16.0
70.98118	2.2
71.04995	100.0
79.05117	1.3
79.05493	49.4
81.07063	86.7
83.04976	14.3
83.08616	16.9
84.47616	2.1
85.02908	3.7
85.06526	15.3
86.67150	2.0
91.05480	27.2
93.07048	74.9
95.04971	12.1
95.08610	28.8
97.06545	18.9
97.10196	5.8
97.52605	2.0
99.08107	4.3
100.11269	24.9
105.07050	12.0
107.00912	2.2
107.04972	4.6
107.08599	38.8
109.06529	4.9
109.10168	6.2
111.08090	12.8
115.05486	2.2
117.06994	11.0
119.08582	17.6
121.06533	5.0
121.10152	50.0
125.09642	2.8
129.07004	3.7
130.07828	2.3
131.08566	13.7
133.10136	13.3
135.08044	4.9
135.11699	37.5
139.11125	3.4
142.07857	2.2
143.08521	6.6
145.10120	27.4
149.09740	2.0
149.13268	43.5
151.11156	2.6
155.50299	2.0
157.10135	5.8
159.11708	17.2
163.11186	25.8
171.11700	4.0
173.13304	2.7
177.12746	10.2
185.09613	3.2
185.13216	2.7
194.10960	2.8
195.13800	17.6
205.00359	2.1
209.11736	3.6
209.13496	3.1
209.16621	4.3
213.14694	2.6
227.10504	5.0
227.12508	4.2
227.14658	10.8
227.17882	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	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.05495	7.1
56.75664	1.8
57.03423	5.7
57.07059	5.4
59.04978	6.8
62.28809	2.3
67.05494	7.6
69.03406	7.5
69.07067	24.4
69.68004	11.9
71.04994	26.3
73.06509	2.6
79.05466	6.4
81.07057	20.9
83.04972	7.0
83.08620	13.7
85.02876	2.4
85.06532	11.8
90.91230	1.7
91.05478	11.8
91.12061	1.9
93.07047	28.9
95.04970	100.0
95.08610	17.0
97.06524	22.6
97.10156	4.4
98.97559	2.6
99.04440	16.0
99.07500	3.0
99.08098	43.9
100.11209	3.6
101.00879	3.3
105.07048	16.0
107.08598	28.1
109.06541	18.0
109.10144	14.5
109.84877	2.4
111.08070	9.5
113.09614	3.1
115.07603	9.4
119.08580	11.3
121.06447	3.0
121.10157	29.5
123.08068	6.3
123.11721	9.4
125.09655	10.2
125.13258	3.6
127.07541	23.2
131.08559	8.6
133.10130	46.4
135.08014	6.6
135.11678	9.1
137.09598	5.4
139.11186	16.2
143.01848	5.9
143.10670	3.4
145.03477	3.9
145.10080	4.1
147.11688	17.9
149.09628	4.1
149.13277	17.7
151.11130	6.2
153.09117	40.7
161.02957	4.1
163.14771	9.9
167.07045	7.4
167.10699	2.2
167.14294	4.3
171.10190	14.5
173.13269	22.0
181.04953	4.3
191.10583	3.0
191.14316	20.3
206.09618	2.1
209.11668	4.2
209.15373	25.5
227.16402	83.7
246.40936	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.01883	3.0
55.05515	17.4
57.03440	13.8
57.07079	2.3
65.03939	1.9
67.05509	72.2
69.03440	1.3
69.06725	1.9
69.07070	23.0
70.87404	3.1
71.04997	7.2
77.03939	1.9
78.70834	1.2
79.05497	36.6
81.03407	2.1
81.07059	100.0
83.05001	9.9
83.08620	16.0
85.06535	7.2
91.04961	2.4
91.05481	20.6
93.07050	62.0
93.07637	3.3
95.04947	3.7
95.08054	2.3
95.08610	31.9
97.06539	17.9
97.10174	1.4
99.08081	5.4
105.07031	5.7
107.08590	33.0
109.06495	3.8
109.10188	3.2
111.08084	9.4
113.09608	1.9
117.07040	11.5
119.08636	2.8
121.06522	1.8
121.10149	19.3
123.11684	2.9
127.07542	1.7
131.08578	13.0
133.10129	16.8
135.08041	1.8
135.11691	18.8
139.11148	2.2
149.13266	66.6
151.11223	2.4
159.11700	31.8
167.14215	1.6
173.19601	1.7
177.12776	17.6
195.13828	26.1
213.14799	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03931	1.5
55.01859	3.6
55.05508	16.3
56.96561	1.4
57.03437	15.4
57.07078	3.9
65.03925	2.1
66.05235	1.2
66.55000	1.2
67.05508	76.3
69.07072	23.9
69.42413	10.2
71.01366	1.6
71.05004	8.8
73.02917	1.5
79.05492	35.0
81.03429	2.7
81.07057	100.0
83.04988	10.1
83.08614	15.6
85.02885	1.5
85.06540	6.4
91.05482	18.1
93.07048	65.7
95.04958	6.1
95.08609	27.0
97.06520	14.3
97.10166	3.0
98.97578	1.4
99.04443	1.8
99.08087	4.1
100.11259	7.1
102.31091	1.3
105.07030	7.8
107.04949	1.4
107.08601	32.6
109.06532	2.3
109.10159	4.4
111.08067	9.6
113.09616	2.6
117.07022	9.7
119.08559	2.8
121.06525	3.0
121.10147	19.3
122.17963	1.1
123.11709	1.9
125.09660	2.3
131.08575	11.2
133.10127	10.9
135.08080	4.9
135.11697	20.0
139.07567	1.3
139.11203	3.6
139.12378	1.1
139.65170	1.2
145.10130	2.5
147.11725	1.7
149.09621	1.5
149.13266	61.9
151.11159	1.2
159.11700	26.4
163.11113	1.6
167.14267	1.4
177.12762	16.4
182.07913	1.3
191.10655	1.5
192.59206	1.3
195.13849	24.2
209.16586	1.3
213.14888	1.6
227.12762	4.6
227.17831	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	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
55.01871	3.1
55.05263	1.7
55.05515	16.5
56.96558	2.7
57.03436	10.9
57.07080	1.1
62.56142	1.0
65.03934	2.4
67.05506	66.6
69.06718	1.9
69.07067	21.1
70.17111	5.0
71.04993	7.5
79.05495	34.7
81.03399	2.2
81.07057	100.0
83.04974	7.3
83.08618	19.2
85.06542	8.2
91.05486	22.0
93.07046	61.8
95.04951	4.4
95.08606	31.2
97.06527	16.3
97.10168	6.5
98.20954	1.8
99.08074	5.2
100.11237	4.5
101.49876	1.2
104.39159	1.3
105.07034	6.2
107.08595	32.7
109.06523	2.0
109.10154	4.4
111.08099	8.6
111.11702	1.2
113.09660	1.4
117.07030	10.8
119.08588	2.2
121.06481	1.3
121.10143	16.5
123.11729	3.4
125.09616	4.0
130.34814	1.2
131.08585	12.6
133.10155	15.0
135.08055	2.8
135.11690	24.4
145.10100	2.0
147.11665	1.3
149.09709	1.1
149.13263	46.4
151.11148	2.1
157.10114	1.5
159.11694	28.7
163.11263	2.6
177.12779	13.9
183.08324	1.2
195.13824	23.8
213.14832	2.2
227.12640	8.2
227.17924	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	227.1642
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03952	2.1
55.01881	2.6
55.05511	6.9
56.96569	3.1
57.03442	6.0
57.07087	3.4
59.05009	2.4
65.03948	2.0
67.05511	10.3
69.03436	5.5
69.07068	8.8
69.80887	1.4
69.81277	1.9
70.06592	1.2
70.17760	0.7
71.05000	15.6
72.08191	0.7
73.02935	2.7
73.06576	1.2
75.04475	2.2
79.05499	8.4
81.03418	1.6
81.07053	13.6
83.04990	5.3
83.08617	4.1
84.08163	0.9
84.96037	1.1
85.02900	2.3
85.06551	9.0
86.09703	3.4
91.05489	9.4
93.07054	15.1
95.04974	100.0
95.08615	9.5
96.05318	0.9
97.02899	3.2
97.06535	16.0
97.10186	4.3
98.06892	0.7
98.97577	5.7
99.04466	13.2
99.08099	18.0
100.11254	8.4
101.00871	2.0
103.05474	1.4
105.04557	0.8
105.07037	12.4
107.04934	3.8
107.08592	16.6
109.06532	12.7
109.10157	7.5
110.97552	1.6
111.04453	3.4
111.08092	5.3
111.11712	0.8
113.09666	1.1
115.05422	0.8
115.07603	3.3
116.98611	1.9
117.07024	2.6
119.01904	2.8
119.04903	1.0
119.08585	10.9
121.02916	1.9
121.06480	3.6
121.10155	15.5
123.04438	2.6
123.08073	2.6
123.11703	3.8
124.05247	0.8
125.05985	2.6
125.09645	9.3
127.07555	7.3
128.98621	1.8
130.07791	0.9
131.01917	2.4
131.08591	9.8
133.06494	1.9
133.10135	22.7
135.08051	4.3
135.11696	6.2
137.06020	3.7
137.09599	1.9
139.03915	1.3
139.11191	7.3
140.04770	0.7
143.00217	1.2
143.01877	2.0
143.08630	1.2
143.10669	5.5
145.10136	5.0
146.05803	0.8
147.04483	0.8
147.11700	7.7
149.06007	3.4
149.09637	4.9
149.13248	4.6
151.03773	0.8
151.11192	2.2
152.04701	1.0
153.05531	3.8
153.09108	30.7
153.12709	1.9
158.10944	0.7
158.99628	2.2
161.01280	0.9
161.02942	3.2
161.06047	3.1
162.03055	1.0
163.11180	3.7
163.14799	2.7
165.09109	2.3
165.12769	1.5
167.03441	1.2
167.07071	33.1
167.10675	2.3
167.14340	0.9
171.06519	2.1
171.10179	12.4
173.09624	1.7
173.13292	9.3
176.06851	1.9
177.00748	1.5
177.05490	4.3
179.10600	1.7
181.04919	2.9
181.06467	12.5
181.08278	1.3
184.13321	0.8
185.07074	0.9
191.10674	6.5
191.14354	9.4
195.06332	1.2
195.07895	1.5
203.03973	1.3
207.05966	0.9
209.05992	5.4
209.08040	3.7
209.11766	9.8
209.15309	21.0
210.14702	1.3
216.06461	0.9
217.56538	0.8
219.01765	1.0
227.06972	4.7
227.09062	1.8
227.12642	4.4
227.16371	46.8
237.02812	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01859	2.8
55.05514	17.5
57.03194	1.0
57.03439	13.3
57.07079	2.9
59.04963	1.0
65.03928	1.4
67.05506	77.6
69.03432	1.8
69.06726	1.6
69.07069	23.5
69.74028	4.6
71.04994	24.3
73.02917	1.4
79.05495	35.8
79.37103	1.2
81.03403	2.3
81.07061	100.0
83.04978	8.0
83.08210	1.4
83.08624	15.5
85.02502	1.1
85.02917	11.3
85.06543	7.7
91.05486	18.9
93.07046	60.9
95.04973	6.9
95.08611	32.0
97.06543	14.3
97.10162	2.3
99.08099	2.9
100.11262	6.6
105.07034	8.0
107.08600	35.4
109.06506	3.2
109.10130	4.0
111.08082	9.3
113.09661	1.0
117.07010	10.2
119.08566	4.0
119.73963	1.0
121.06454	1.9
121.09308	1.8
121.10136	20.1
123.11729	2.5
129.06987	1.8
131.08592	12.3
131.49800	1.1
133.10138	12.3
135.02940	1.2
135.08060	4.8
135.11691	21.1
137.09685	1.0
139.11160	1.9
142.04674	1.1
143.08607	1.7
145.10139	1.9
147.11647	2.0
149.09622	1.9
149.13264	60.4
151.11159	1.5
153.12729	1.8
157.10133	1.6
159.10469	1.6
159.11707	26.6
163.11127	1.5
177.12743	16.6
180.91353	1.0
181.12358	1.1
185.13101	1.4
195.13806	26.5
209.11676	1.2
213.14888	1.7
227.12540	1.9
227.14525	2.1
227.17969	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	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03935	2.4
55.05495	7.1
56.75664	1.8
57.03423	5.7
57.07059	5.4
59.04978	6.8
62.28809	2.3
67.05494	7.6
69.03406	7.5
69.07067	24.4
69.68004	11.9
71.04994	26.3
73.06509	2.6
79.05466	6.4
81.07057	20.9
83.04972	7.0
83.08620	13.7
85.02876	2.4
85.06532	11.8
90.91230	1.7
91.05478	11.8
91.12061	1.9
93.07047	28.9
95.04970	100.0
95.08610	17.0
97.06524	22.6
97.10156	4.4
98.97559	2.6
99.04440	16.0
99.07500	3.0
99.08098	43.9
100.11209	3.6
101.00879	3.3
105.07048	16.0
107.08598	28.1
109.06541	18.0
109.10144	14.5
109.84877	2.4
111.08070	9.5
113.09614	3.1
115.07603	9.4
119.08580	11.3
121.06447	3.0
121.10157	29.5
123.08068	6.3
123.11721	9.4
125.09655	10.2
125.13258	3.6
127.07541	23.2
131.08559	8.6
133.10130	46.4
135.08014	6.6
135.11678	9.1
137.09598	5.4
139.11186	16.2
143.01848	5.9
143.10670	3.4
145.03477	3.9
145.10080	4.1
147.11688	17.9
149.09628	4.1
149.13277	17.7
151.11130	6.2
153.09117	40.7
161.02957	4.1
163.14771	9.9
167.07045	7.4
167.10699	2.2
167.14294	4.3
171.10190	14.5
173.13269	22.0
181.04953	4.3
191.10583	3.0
191.14316	20.3
206.09618	2.1
209.11668	4.2
209.15373	25.5
227.16402	83.7
246.40936	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03926	2.5
55.01849	3.3
55.05266	1.7
55.05508	20.9
57.03438	10.1
57.07067	2.1
62.49268	1.2
65.03928	2.0
67.05505	79.4
69.07065	23.8
69.33618	9.4
71.04992	16.9
71.08617	1.7
71.13902	1.2
73.02872	1.5
73.62342	1.3
79.05492	39.2
81.03413	1.6
81.07053	100.0
83.01312	1.2
83.04973	7.0
83.08622	20.9
85.06527	7.4
91.05479	25.2
93.07043	70.7
95.04955	4.8
95.08606	31.5
97.06519	13.7
97.10146	4.3
98.21070	5.8
99.08092	3.1
100.11275	3.1
105.07036	10.4
107.04933	1.4
107.08598	38.4
109.06497	3.9
109.10153	5.5
111.04444	1.4
111.08088	11.3
112.89017	1.5
117.07024	14.0
119.08576	2.0
121.06516	1.5
121.09312	1.9
121.10142	19.4
123.11719	3.5
125.09628	3.4
131.08583	12.6
133.10144	16.3
135.08057	2.5
135.11687	29.5
145.10107	2.3
147.11707	2.1
149.09590	1.9
149.13263	54.9
151.11198	1.6
157.10081	1.8
159.11700	32.6
163.11156	4.5
167.14359	2.2
177.12770	12.7
181.12276	2.0
194.60609	1.3
195.13812	22.3
195.97418	1.4
209.11726	1.5
213.14813	2.0
227.12746	12.0
227.17853	3.6
234.07338	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
53.03954	0.8
55.01873	30.6
55.05105	0.5
55.05511	4.8
56.04784	0.5
56.96573	1.6
57.03444	2.7
57.07077	3.5
67.05505	16.1
69.03426	3.7
69.07070	20.1
69.45564	1.5
69.45993	2.3
71.04996	4.4
79.05498	10.4
81.03439	0.6
81.07060	11.2
83.04965	3.4
83.08625	3.2
84.96933	0.6
85.02943	0.6
85.06549	18.3
89.79558	0.5
90.27748	0.5
91.05479	5.4
93.07047	16.1
93.07642	0.9
95.04989	3.7
95.08611	24.5
97.06535	17.7
97.10165	3.1
98.20763	1.1
98.97588	2.3
99.04465	5.2
100.11265	2.2
105.06445	0.3
105.07035	13.8
107.04968	2.7
107.08595	38.8
109.06521	9.3
109.10181	1.9
111.04442	1.7
111.08089	2.5
111.11739	0.7
113.06016	6.7
117.07032	1.3
119.06132	0.8
119.08578	4.2
121.06503	7.5
121.10144	10.7
123.08068	13.1
125.06008	1.5
125.09629	3.5
127.07592	1.1
129.07043	0.8
130.07768	1.0
131.08574	1.8
133.06494	1.5
133.10091	0.5
135.08107	2.4
135.11697	8.4
139.07597	0.7
139.11230	2.6
143.07051	0.8
143.08627	1.3
145.10132	9.9
147.11713	1.2
149.09641	4.7
149.13225	0.6
151.07552	13.4
153.09126	0.7
153.12767	2.0
157.08643	1.2
159.54776	0.6
163.11189	24.8
167.07104	0.8
167.10690	10.0
169.08607	100.0
171.11615	0.8
173.09621	2.2
181.12228	11.4
185.11833	3.0
189.11240	1.4
191.10657	9.7
195.10161	0.5
209.11737	8.0
224.94856	0.5
227.10826	1.0
227.12749	18.0
227.17680	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Stagonolide
Peak:m/z	Relative Intensity
50.16897	0.5
53.03936	1.6
53.52607	0.5
55.01677	0.5
55.01878	6.6
55.05512	12.7
56.96558	1.1
57.03434	2.7
57.07070	1.0
65.03938	1.2
67.05508	15.0
69.03429	1.6
69.07068	8.1
70.47089	1.8
71.05003	2.5
72.58302	0.5
73.02904	1.6
77.03939	1.0
79.05496	23.5
81.03431	2.9
81.07058	19.1
83.04984	4.5
83.08619	9.0
85.06538	0.7
91.05473	6.8
93.07047	36.8
95.04980	6.8
95.08611	39.5
97.02885	4.3
97.06532	3.8
97.10169	1.3
98.20851	0.7
99.04446	4.3
99.08020	0.5
99.76685	0.5
100.11261	1.1
102.67542	0.7
103.05450	0.8
105.07035	6.4
107.04959	9.3
107.07870	1.2
107.08598	24.3
109.06484	1.9
109.10133	2.8
111.04424	2.8
111.08084	1.5
111.96880	0.5
113.06042	0.7
115.04069	0.5
117.07036	8.2
119.08582	9.1
121.06498	7.6
121.10151	14.0
123.08099	1.0
125.06008	3.3
130.07780	1.6
131.08568	0.9
133.10123	2.1
135.08066	2.2
135.11694	48.5
139.07544	2.6
143.08527	0.9
145.10126	25.7
153.12776	2.9
155.08484	0.5
163.11185	66.6
167.07065	0.8
173.09631	0.6
181.12241	15.7
191.10747	0.7
209.11678	3.9
227.12782	100.0
228.13144	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
52.03649	0.9
55.01871	25.1
55.05509	6.4
56.24493	0.9
57.03436	1.7
57.07070	3.1
57.64648	0.9
58.27699	1.0
58.41201	0.9
67.05513	8.9
69.03418	4.1
69.07070	14.5
70.09678	2.6
71.04987	4.2
79.05495	9.1
81.07061	8.8
82.61155	0.9
83.04973	1.2
83.08657	1.3
85.06550	15.3
91.05486	4.4
93.07042	15.5
95.04990	5.4
95.08614	20.8
97.06532	14.1
98.97604	1.6
99.04466	7.8
100.11264	8.2
105.07028	11.3
107.04930	1.9
107.07875	2.0
107.08598	38.5
109.06512	7.6
110.06068	2.6
111.08107	1.4
113.05972	5.0
119.08578	3.7
121.06519	7.1
121.10140	11.3
123.08080	13.8
125.06058	1.6
127.07570	1.7
131.08585	1.7
133.10117	1.8
135.08054	1.1
135.11687	5.8
139.11186	2.1
141.11453	2.7
145.10135	8.8
147.11719	1.8
149.09660	2.8
151.07558	11.9
152.53951	0.9
153.09122	1.3
157.08623	1.8
163.11182	22.9
163.64406	2.2
167.07053	1.0
167.10666	5.8
169.08611	100.0
172.15723	1.8
173.09613	1.2
181.12219	12.1
181.84477	0.9
182.15408	2.1
185.11691	2.4
191.10670	7.8
191.14458	1.3
199.18094	1.3
209.11746	5.6
213.17838	6.3
227.12825	9.2
227.16333	1.7
227.17500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01875	2.4
55.05487	2.5
57.03416	2.9
57.07061	5.8
59.34764	1.7
65.03941	1.7
67.05177	2.0
67.05506	27.0
69.03404	1.5
69.07072	8.6
70.60869	5.0
71.04993	16.1
73.02924	2.8
77.62065	1.5
79.05498	22.0
79.05929	3.2
81.07053	5.4
83.04985	6.3
85.06548	100.0
91.05481	16.2
93.07056	17.9
95.04955	7.0
95.08617	3.4
97.06557	4.6
97.18055	1.6
99.08108	4.6
99.83212	1.7
105.07036	15.8
107.04977	9.8
107.08606	26.7
109.06505	6.4
111.04449	13.3
117.07036	4.5
119.08588	18.8
121.06531	11.8
121.10139	18.0
123.04398	3.3
125.05996	7.1
129.07013	5.1
131.08574	58.7
133.10106	2.2
135.08055	2.4
135.11732	6.0
137.09616	6.3
139.29178	1.8
140.04713	3.0
143.07011	2.1
145.10130	23.3
147.08075	5.0
147.11707	2.6
149.09627	63.3
149.37924	1.6
153.05476	3.6
153.09151	1.7
155.07056	7.8
163.11209	23.7
165.09119	10.6
167.10696	32.1
173.09644	8.1
179.10713	2.3
181.04964	7.0
191.10680	63.0
195.52196	1.9
209.11736	65.7
209.13672	3.7
212.97508	1.5
224.87228	1.5
227.09267	3.5
227.12776	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03938	6.0
55.01664	3.2
55.01877	35.0
55.05513	21.1
56.96552	4.2
57.03422	8.6
57.07085	4.4
65.03932	4.2
67.05515	43.2
69.03420	8.0
69.07071	24.8
69.42194	26.8
71.04993	26.5
73.02912	6.0
75.05080	3.1
79.05060	4.9
79.05494	57.9
81.03429	3.6
81.07063	28.6
83.04969	14.0
83.08617	13.6
85.02892	5.2
85.06544	100.0
90.91374	3.4
91.05473	35.1
93.07047	65.7
95.04984	29.0
95.08607	17.0
97.02873	4.6
97.06535	24.3
97.10184	7.9
98.97591	8.9
99.04454	9.4
99.08075	10.5
100.11237	12.1
101.00893	3.8
105.07036	34.2
107.04933	13.8
107.08603	69.2
109.06516	18.8
109.10134	11.2
111.04436	13.1
111.08044	3.3
117.06983	13.0
119.01914	4.4
119.08576	37.5
121.06503	27.7
121.09332	4.7
121.10146	70.1
123.04413	5.1
123.08056	14.6
125.05975	10.3
125.09609	15.7
127.07520	4.4
129.06996	6.7
130.07800	3.7
131.08566	63.6
133.10103	12.7
134.07498	3.7
135.04449	3.9
135.08032	14.6
135.11705	24.1
137.05962	5.7
137.09570	7.7
139.07509	7.3
143.01910	5.3
145.10143	47.3
147.07979	6.3
147.11620	5.6
149.05988	4.0
149.09624	59.0
149.13216	6.8
151.07503	12.3
151.11250	8.9
153.09053	9.2
161.02977	5.6
163.11169	66.6
165.09102	11.6
165.12778	3.2
167.05695	5.5
167.06956	22.6
167.10645	26.4
169.08600	77.3
170.08644	4.1
173.09599	12.2
173.13260	5.5
176.08589	5.1
177.05457	9.3
181.04968	4.5
181.12227	26.3
191.10678	95.6
191.14365	5.5
209.08138	5.2
209.11725	94.5
209.15157	8.0
227.07275	3.8
227.10580	5.7
227.12781	92.1
227.16066	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	227.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31354	0.9
51.21581	1.0
55.01865	3.2
55.05501	2.5
57.03426	2.6
57.07076	7.2
65.03944	2.3
67.05509	22.4
69.03410	1.1
69.07062	4.4
69.74200	2.5
69.74590	3.0
71.04993	16.8
79.05502	20.3
81.07047	4.4
83.04986	6.0
84.12019	1.1
85.06546	100.0
91.05473	14.5
93.07044	19.9
95.04973	4.9
97.06512	2.9
99.08092	3.5
103.05399	1.1
105.07033	16.4
107.04955	12.1
107.07868	2.0
107.08595	31.7
109.06519	4.6
111.04440	14.2
112.81329	1.0
117.06991	5.0
119.08583	19.8
121.06535	11.5
121.10148	17.4
123.04449	2.8
123.08064	1.6
125.05989	6.5
127.03912	1.1
129.07028	5.5
131.08569	64.8
135.08040	2.9
135.11703	5.9
137.09636	6.1
139.07614	1.3
145.06453	1.8
145.10121	28.9
147.08089	5.7
147.11725	1.4
149.06026	1.3
149.09624	64.6
153.05478	4.1
155.07031	4.7
163.07552	2.4
163.11182	21.8
165.09116	10.4
167.09326	1.7
167.10692	29.6
173.09621	7.7
181.04993	1.2
191.10674	61.3
197.11897	2.5
209.11734	55.5
227.12779	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	227.1277
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03936	2.8
55.01859	5.4
55.05513	12.6
57.03423	2.4
65.03964	1.4
67.05502	13.4
69.03412	1.5
69.07073	6.8
69.31306	10.4
71.04977	4.3
79.05496	21.1
81.03400	3.9
81.07056	17.5
81.56975	1.2
83.04970	5.3
83.08619	9.6
91.05483	9.0
93.07044	35.4
95.04969	6.7
95.08602	42.7
97.02883	4.0
97.06520	4.4
99.04453	4.2
105.07036	6.7
107.04963	11.3
107.08598	25.2
109.06516	2.3
109.10188	2.1
111.04359	1.6
111.08100	1.3
117.07018	10.8
119.08581	9.2
121.06511	6.1
121.10133	12.4
125.05995	2.4
129.09863	1.4
130.07758	2.3
133.10103	1.9
135.08057	2.6
135.11697	51.5
139.07545	2.1
139.69528	1.1
139.81123	1.3
142.07706	1.1
145.10138	24.9
153.12729	1.5
159.89499	1.2
163.11186	73.1
181.12236	18.0
209.11749	2.7
227.12785	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03957	1.2
55.01875	10.0
55.05510	8.4
56.96568	8.0
57.03429	5.5
57.07069	2.8
57.45643	1.5
59.05001	1.4
65.03941	7.6
67.05508	16.1
68.05001	1.4
69.03442	7.5
69.07069	8.7
69.78039	1.2
70.06585	2.0
71.01355	1.1
71.04984	8.3
71.56300	1.5
72.08152	1.5
73.02922	41.7
76.91225	1.2
78.04729	1.4
79.05496	16.3
81.03412	3.6
81.07075	8.8
82.04198	2.7
83.04972	7.3
83.08612	4.3
84.96034	1.9
85.02912	7.7
85.06551	24.0
86.09699	5.4
86.42230	1.2
87.04459	1.4
91.05481	9.9
93.03394	2.7
93.07054	17.0
95.04977	13.9
95.06094	1.2
95.08617	8.6
97.02892	5.1
97.06545	9.3
97.10161	2.4
98.97598	15.7
99.04458	3.6
99.08080	4.7
100.11248	16.8
101.00864	2.6
103.05463	3.8
105.03381	1.4
105.07042	11.3
107.04949	8.0
107.08599	18.6
109.02915	2.1
109.06512	4.6
109.10173	7.8
110.03686	2.2
110.97561	3.5
111.04449	6.5
111.08086	2.2
116.98627	6.1
117.03416	1.6
117.07038	3.1
119.01925	3.7
119.04977	2.5
119.08588	6.9
121.06551	10.3
121.10141	12.7
123.04425	8.5
123.08041	3.5
123.11667	2.0
124.05210	2.0
125.02309	3.2
125.06010	7.2
125.09609	3.2
127.07560	3.0
128.98616	2.2
129.07013	1.9
131.01924	2.5
131.04916	2.6
131.08568	20.7
132.30809	1.2
133.06508	5.6
133.10139	4.0
135.04376	1.4
135.08028	2.6
135.11694	2.9
137.06012	5.9
137.09637	3.0
138.03178	2.1
139.03911	2.6
139.07521	3.0
139.11130	1.9
140.04692	43.6
142.02612	3.1
143.01904	1.8
145.10146	10.5
146.05731	2.7
147.04398	1.8
147.08022	1.9
147.11716	2.6
149.05994	6.1
149.09612	15.8
149.13216	2.9
151.11079	2.1
152.03397	5.4
153.05463	8.7
153.09094	3.2
155.07054	62.3
158.99675	4.0
161.02934	3.0
161.05969	4.4
163.03925	1.6
163.07567	2.7
163.11177	6.9
165.09134	3.0
167.03468	1.7
167.07050	36.1
167.10695	10.4
171.06628	5.9
171.07892	1.8
173.08165	2.1
173.09557	2.9
173.13268	2.9
176.06863	4.1
177.00697	4.0
177.05545	7.6
179.06973	1.9
181.05003	100.0
181.06502	18.7
181.08531	5.9
181.12291	2.6
186.07249	1.8
191.10672	20.1
194.53163	1.9
195.06319	1.9
209.06053	8.3
209.08087	24.3
209.11684	20.5
209.16682	1.8
209.59732	1.3
210.14874	1.9
213.17853	2.5
215.06487	3.7
219.01808	2.6
227.07019	8.0
227.09102	26.5
227.12621	9.9
227.16267	5.7
237.02884	3.5
248.98528	1.3
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	Sundiversifolide
Peak:m/z	Relative Intensity
53.03943	6.2
55.01880	11.3
55.05508	31.9
56.96299	2.8
56.96566	52.6
57.03425	8.8
57.07072	9.2
59.04984	5.4
60.88230	1.9
65.03927	4.9
67.05503	48.2
68.05807	2.2
68.99780	3.0
69.03082	2.4
69.03431	32.8
69.07073	18.2
69.18280	20.5
71.01334	7.0
71.04987	26.5
71.08637	3.3
73.02924	3.9
74.97594	5.2
79.05062	3.2
79.05495	48.4
79.64634	1.8
81.03423	12.8
81.07057	58.7
83.04980	25.1
83.08634	12.6
85.02904	43.3
85.06539	7.6
86.09698	3.3
87.04471	3.8
91.04897	2.8
91.05482	55.6
92.91139	1.9
93.03370	2.4
93.07044	41.4
95.04970	31.0
95.08606	32.7
97.02909	10.7
97.06532	24.6
97.10155	3.9
97.99187	12.5
98.21471	3.4
98.97583	16.0
99.00789	2.6
99.04458	24.3
99.08068	4.3
100.11236	2.9
101.02372	6.2
101.06012	4.5
101.95039	11.0
103.05465	3.6
105.03400	9.2
105.07025	51.4
107.04964	17.8
107.08595	57.3
109.02877	4.3
109.06523	36.9
109.10165	37.3
110.97553	2.3
111.04438	5.7
111.08071	14.4
115.07499	2.1
116.00229	5.9
116.98616	7.0
117.07023	8.2
118.04166	2.4
119.01899	4.1
119.04953	18.9
119.08588	46.2
119.96050	5.4
120.05726	2.4
120.08106	8.7
121.06499	12.8
121.10147	60.9
122.07244	5.6
123.04446	9.1
123.08071	50.5
123.11701	34.1
125.06009	11.9
125.09613	7.8
127.03918	4.2
127.07555	3.5
128.98650	2.3
129.07027	4.3
130.07840	2.5
131.00148	4.1
131.08595	10.7
133.06488	7.4
133.10132	33.4
135.04419	3.3
135.08022	11.0
135.11696	11.9
137.06003	13.4
137.09621	54.9
137.13240	4.1
138.52965	2.1
139.07553	5.8
139.11148	7.3
141.09056	4.5
143.01874	2.6
143.08562	6.0
145.10107	15.7
147.03232	2.9
147.04430	30.3
147.08055	18.5
147.11690	33.1
149.01212	4.1
149.02333	2.1
149.06006	3.5
149.09621	100.0
151.03951	1.9
151.07530	13.2
151.11186	24.8
156.09329	4.8
157.10152	3.4
158.99684	3.5
159.08017	2.8
159.11667	3.0
160.08878	2.0
160.97565	2.9
160.98741	4.8
161.02995	3.4
161.09634	30.2
161.13268	21.9
163.03859	2.0
163.11211	26.4
165.05466	7.2
165.09096	5.0
165.12775	13.3
167.07071	4.1
167.10693	15.4
171.11670	10.7
174.10397	5.4
175.03909	22.6
175.11127	2.8
177.00687	2.7
177.05513	2.0
177.12659	2.3
178.98624	8.3
179.07053	11.0
179.10674	9.4
179.14270	5.1
179.42134	2.0
180.04259	3.8
181.05051	2.7
181.12212	7.4
183.13788	5.1
183.99188	2.2
189.09138	18.2
189.10663	2.4
189.10971	3.1
189.12732	37.3
190.98647	3.0
193.04892	10.4
193.12260	4.7
196.99742	5.2
197.08060	2.9
204.56998	2.0
204.94553	2.0
207.06580	15.3
207.10204	13.0
207.13794	54.8
224.58218	8.8
225.05624	3.4
225.07559	8.0
225.09225	3.5
225.11095	31.9
225.14775	34.2
225.19737	3.3
225.58339	2.1
229.07452	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	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.25307	1.5
53.03941	4.2
54.36122	1.3
55.01863	4.5
55.05511	15.7
56.96566	24.2
57.03432	5.8
57.07079	7.1
59.04993	4.5
61.13641	1.2
61.57878	1.4
65.03937	1.7
66.33598	1.4
66.35332	1.3
67.05507	29.3
68.99790	3.9
69.03429	23.1
69.07072	14.0
69.68977	8.1
70.44766	1.4
71.01350	3.3
71.04986	14.3
71.08611	2.3
73.02937	1.8
74.97601	4.2
77.03946	1.5
79.05493	36.2
81.03398	6.3
81.07057	46.2
83.04987	15.4
83.08628	7.7
84.59087	1.2
85.02905	100.0
85.06541	4.8
87.04472	2.8
91.05479	39.6
93.07049	27.8
95.01344	2.8
95.04972	26.4
95.08614	22.5
97.02911	6.9
97.06534	14.7
97.10175	3.9
97.99179	6.3
98.97587	12.0
99.00836	2.5
99.04469	14.8
99.08092	3.2
101.00870	1.6
101.02386	4.4
101.06036	4.3
101.95035	7.7
103.05434	2.4
105.03391	5.5
105.07034	28.8
107.04957	17.3
107.08598	42.1
109.06517	21.9
109.10160	28.8
110.97571	1.4
111.04457	5.7
111.08102	8.1
114.47694	1.4
115.05403	1.4
116.00225	2.7
116.98645	3.0
117.07032	4.4
118.04172	2.1
119.01878	4.0
119.04951	15.5
119.06148	1.5
119.08589	25.5
119.96069	2.3
120.08115	3.6
121.02856	1.3
121.06534	8.7
121.10150	36.5
121.11040	1.9
122.07310	2.2
123.04450	6.9
123.08076	25.5
123.11710	76.6
125.05994	10.5
125.09634	6.1
127.03941	3.0
129.06952	1.4
129.52428	2.4
131.00134	1.6
131.08589	3.8
133.06497	5.2
133.10135	17.2
134.03632	1.4
135.04462	3.4
135.08040	5.4
135.11682	7.6
137.05989	9.9
137.09625	30.9
137.13274	1.7
139.07503	2.8
139.11198	5.4
141.09006	1.4
143.01898	1.9
143.08592	3.3
145.06488	1.6
145.10147	13.5
146.99699	1.7
147.03188	2.3
147.04408	25.9
147.08073	8.1
147.11699	22.1
149.06018	1.9
149.08418	1.9
149.09622	38.3
151.07564	10.4
151.11174	24.6
154.04652	1.5
155.07056	1.7
156.09348	3.3
157.53685	1.6
158.99672	4.6
159.08054	2.0
159.11682	1.6
160.08731	1.5
160.97594	2.3
161.05977	1.6
161.09630	7.7
161.13286	13.9
163.03888	2.4
163.11200	17.1
165.05547	6.7
165.06772	1.4
165.09126	2.9
165.12735	7.0
167.07053	3.0
167.10719	8.1
171.10396	1.5
171.11650	6.7
174.10414	3.4
175.03923	24.7
177.00732	3.5
178.98608	5.4
179.07065	9.8
179.10652	3.4
179.14304	5.6
181.12297	7.5
183.13788	4.0
189.05569	1.5
189.09140	4.3
189.12758	23.4
190.12352	1.6
193.04884	9.4
202.00198	1.9
207.06512	10.5
207.10303	2.9
207.13805	43.2
224.58252	4.1
225.07420	7.7
225.11232	10.1
225.14833	24.0
225.19740	2.1
229.07509	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.01880	1.2
55.05513	5.2
57.03421	1.6
57.07071	3.8
59.04985	1.6
65.03910	1.3
67.05498	2.8
68.68439	0.8
69.03431	1.0
69.07071	4.9
69.42266	7.5
71.04597	1.8
71.04993	36.6
79.05482	5.5
81.03426	2.0
81.07054	8.3
83.04977	3.4
83.08625	6.3
85.02892	2.7
85.06528	2.0
87.04446	0.8
91.05479	5.1
93.07049	4.2
95.04961	2.0
95.08610	8.6
97.02900	0.9
97.06532	12.2
98.21545	1.8
99.04452	100.0
99.08130	0.9
101.06041	0.8
101.94996	1.6
103.07056	0.9
105.07047	5.8
107.04958	1.6
107.08591	33.4
109.06512	25.1
109.10196	2.0
111.08094	2.0
111.11688	1.1
112.30583	0.9
113.09628	4.3
119.04955	1.4
119.08602	5.0
121.06499	1.9
121.10133	13.0
123.08069	19.2
123.11710	16.8
125.06030	1.4
125.09621	8.1
128.10190	0.8
131.08557	1.5
133.10120	2.5
135.11659	1.0
137.05922	0.9
137.09625	2.1
137.13263	3.5
139.11150	4.0
141.09099	1.0
141.12724	1.6
142.63606	0.8
147.04398	2.2
147.11676	7.4
148.91786	0.9
149.08531	1.4
149.09622	12.1
150.89220	0.9
151.07510	1.5
155.10675	1.5
161.09663	1.7
161.13222	2.6
165.12740	13.7
167.10670	28.5
178.55025	0.9
179.14319	2.7
183.13805	43.8
189.12753	4.9
207.13788	10.3
225.14847	26.3
225.16908	1.6
245.51564	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03942	8.6
53.71894	1.9
55.01859	3.1
55.05516	26.7
56.96542	2.1
57.03416	3.6
61.19580	1.7
65.03945	1.8
67.05506	47.5
67.07744	2.3
69.07071	12.5
69.76044	4.5
69.76456	5.6
71.04972	2.5
73.06573	3.0
77.03918	2.5
79.05496	79.8
81.03408	6.0
81.07057	34.9
83.04987	40.5
83.08615	5.4
91.05479	59.1
93.07047	100.0
93.30096	2.0
95.04972	15.3
95.08603	21.5
97.06551	2.8
97.10168	4.5
98.21484	3.3
101.95051	2.1
105.04518	4.3
105.07036	35.4
107.04955	3.0
107.08604	18.4
109.06532	8.9
109.26610	1.8
117.07036	7.5
119.08587	18.3
121.10142	4.6
121.49886	2.0
123.08052	4.5
129.07011	18.5
131.08571	3.8
133.10141	10.0
143.08563	11.7
145.10138	10.0
147.04427	2.4
147.08034	5.4
147.11699	53.0
161.09581	4.4
161.13232	15.4
171.11720	28.3
186.46774	1.9
189.12779	10.7
207.13766	11.0
225.14948	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	225.1485
Annotation	Methyl jasmonate
Peak:m/z	Relative Intensity
53.03941	4.4
55.01866	4.4
55.05515	31.3
56.96561	5.5
57.03436	5.8
57.07058	1.3
59.04995	1.9
65.03944	1.5
67.05175	1.5
67.05504	21.4
69.03438	5.2
69.07074	6.7
70.73292	1.6
70.73634	2.1
71.04980	3.2
73.06559	1.7
75.65304	1.1
78.29160	0.9
78.71638	0.9
79.05061	2.0
79.05494	25.6
81.03420	100.0
81.07060	22.6
83.04986	26.3
83.08623	35.7
83.09120	2.0
84.59930	1.0
85.02915	1.0
85.06531	3.4
91.05486	26.5
92.09759	1.1
93.07039	12.4
95.04974	32.9
95.08611	8.2
96.12486	1.2
97.02883	3.0
97.06520	3.3
97.10171	5.6
99.04501	1.1
105.07030	18.2
107.04954	7.5
107.08594	8.1
107.09834	1.0
109.06524	6.6
109.10142	3.4
111.04448	3.0
111.07373	1.2
111.08089	16.9
115.05480	1.4
117.07001	2.2
119.08578	15.9
121.06516	1.8
121.10164	7.6
123.08057	2.8
123.11714	1.1
125.09632	1.9
126.05193	0.9
129.03920	0.9
129.07013	11.4
129.18530	1.2
131.08562	12.8
133.06506	2.0
133.10136	10.9
134.04939	1.0
134.64769	0.9
137.09650	1.7
142.04643	1.2
142.07758	4.0
145.10130	2.1
147.08057	3.4
147.11678	11.6
149.09608	7.1
151.11235	1.2
157.05190	1.4
157.10138	16.8
157.55348	1.6
165.12750	3.4
166.05759	1.1
175.08871	2.4
175.11191	17.1
183.58681	2.8
184.09319	3.6
192.59315	3.1
193.12250	75.4
225.14804	6.6
229.07436	1.0
235.98703	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
51.28929	0.4
52.65157	0.4
53.03939	0.5
55.01879	0.8
55.05517	2.6
56.96569	2.6
57.03432	1.5
57.07073	0.4
59.05000	1.0
65.03933	0.6
65.31351	0.4
67.05179	0.4
67.05512	5.1
69.03431	2.1
69.07063	1.8
69.19265	4.1
69.19665	1.1
70.10311	0.4
71.04993	1.7
71.27132	0.4
79.05488	4.2
81.03404	0.6
81.07060	6.4
83.04986	29.5
83.08631	1.0
85.02907	1.1
85.06548	6.6
91.05480	3.4
93.07056	4.3
95.04984	3.6
95.08045	0.7
95.08612	8.2
97.06529	3.4
98.97591	1.1
99.04464	4.4
99.08097	11.0
101.06049	0.6
101.95023	0.9
105.07043	3.9
107.04942	1.3
107.08600	9.3
109.06523	28.2
109.10165	1.9
111.04449	18.4
111.08070	0.8
113.00893	0.4
113.09637	1.0
119.04953	0.8
119.08607	3.8
121.06482	2.6
121.10160	7.4
122.07286	0.5
123.08073	100.0
123.11646	2.1
125.05986	1.2
125.09634	6.3
127.07554	4.2
129.20453	0.4
131.00136	0.6
131.08536	0.5
133.06519	0.5
133.10130	2.0
135.04433	0.5
135.11716	0.9
137.05980	0.5
137.09634	2.1
137.13289	0.5
139.11211	1.0
141.09116	1.5
142.15057	0.4
143.08586	0.7
144.98055	0.4
145.10109	1.3
147.04401	0.8
147.08083	0.7
147.11693	3.6
149.01210	0.8
149.09630	8.3
151.07542	2.7
151.11160	3.2
153.55173	0.4
161.09648	0.4
161.13263	1.6
162.04416	0.6
163.11229	1.9
165.12750	4.6
167.10687	11.2
169.08632	2.6
171.11803	0.7
175.03955	0.9
179.14363	0.6
181.12204	2.1
183.13835	1.3
189.12794	2.8
190.98541	0.6
205.08710	0.8
207.13820	9.4
224.58215	1.9
225.14861	13.9
226.06041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99458	1.9
54.60525	1.7
71.05841	2.6
71.06183	4.0
76.58820	1.8
82.99852	5.5
101.00886	60.4
101.95004	2.1
109.14460	1.8
111.17784	1.8
117.08501	2.2
119.01927	100.0
124.02454	8.9
137.02962	13.7
142.03513	72.8
158.99905	3.9
160.04568	8.3
161.02972	38.3
165.05185	2.3
177.00963	21.2
179.04010	35.9
182.99739	2.3
184.04539	5.2
199.50218	2.0
201.00851	3.8
202.05684	5.3
217.04037	3.3
219.01981	23.3
220.02118	3.2
243.02011	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03943	4.3
55.01868	3.6
55.05270	2.9
55.05512	38.3
56.96557	2.5
57.03436	2.9
57.07076	2.8
58.33958	1.3
59.05004	2.0
65.03928	1.7
67.05170	2.5
67.05510	32.0
69.03415	2.7
69.07072	12.5
71.04989	4.3
71.08636	2.1
71.45647	1.8
71.45982	1.6
73.06556	12.7
79.05496	67.9
81.03008	1.8
81.03419	10.3
81.07053	33.4
83.04984	18.8
83.08619	10.6
85.06537	2.9
91.05482	44.5
93.06479	2.9
93.07047	47.7
95.04366	3.2
95.04973	57.7
95.08611	25.6
97.06532	19.5
97.10165	14.9
99.04439	4.3
100.11270	1.9
101.02390	1.6
101.95022	10.9
105.03357	2.7
105.04487	2.0
105.06396	2.6
105.07037	34.2
107.04951	6.2
107.07871	2.6
107.08598	46.4
109.06528	16.9
109.10149	4.0
111.08100	2.2
117.06994	3.6
119.04967	3.9
119.08581	26.9
119.96060	4.2
121.06473	1.9
121.10133	15.0
123.08067	16.7
127.07578	1.4
129.07008	19.0
131.08549	3.4
133.10133	17.7
135.08018	2.7
135.11696	2.4
137.09625	4.2
143.08563	8.4
143.13133	1.4
145.10120	4.9
147.04407	6.2
147.08081	1.6
147.11697	17.4
151.11183	1.9
157.10112	2.7
160.98712	5.3
161.13254	43.1
165.05487	2.2
165.09129	1.5
165.12735	1.8
167.10695	2.1
169.10106	1.9
171.11691	36.5
175.03925	5.2
175.11198	3.1
178.99776	1.9
179.14330	25.4
183.11713	1.6
183.13782	1.6
189.12732	18.0
193.04976	1.8
193.12234	4.2
207.06522	1.9
207.13806	100.0
225.07477	3.2
225.09399	1.9
225.12737	2.0
225.14731	22.0
229.07416	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.7
55.01870	9.6
55.05502	15.5
56.05026	13.5
56.96566	100.0
57.03419	28.5
60.04503	9.5
61.02921	15.5
62.06088	12.3
67.05486	27.8
69.03441	52.2
69.07043	16.5
70.06588	15.0
70.66866	19.9
71.04972	22.4
72.08144	8.3
73.02904	28.8
78.79380	6.5
79.05497	18.6
81.03420	17.7
81.07069	16.8
83.04980	10.7
84.04463	10.5
84.08134	30.1
84.96037	13.0
85.02899	48.5
86.06081	52.9
87.04453	10.4
91.05482	37.7
93.07039	23.7
94.07495	7.5
95.04962	23.7
95.06089	8.4
97.02903	47.3
98.97591	65.3
101.00877	10.1
101.02273	7.3
103.05475	25.3
105.07034	39.2
107.04941	22.7
107.08580	16.6
109.02862	12.3
109.06520	8.7
110.06072	40.3
110.97574	13.8
111.08088	7.0
112.08826	14.9
116.98608	31.5
119.01868	20.0
119.04942	17.3
119.08599	12.0
121.06506	30.1
123.04446	7.1
124.07571	8.2
128.98608	16.4
131.01854	8.6
131.04918	14.9
131.08542	8.9
132.08046	22.5
133.06421	7.4
133.10121	30.8
134.06047	8.4
134.99614	10.1
135.04442	12.9
136.05240	14.2
136.07556	12.2
137.02292	34.0
137.05981	19.2
137.09634	8.1
139.00679	10.9
143.01906	12.6
143.08568	7.6
146.06017	10.4
146.99663	10.3
147.02612	11.6
147.04427	17.3
147.05766	8.3
149.00520	14.1
149.05974	79.2
149.09621	14.2
151.07500	8.9
154.03867	8.5
155.00032	7.5
158.99660	17.1
161.01268	9.5
161.02966	13.9
161.05914	14.7
161.09615	32.4
162.05414	11.2
162.06664	10.1
164.07059	16.8
164.98604	9.5
166.12267	17.9
167.07089	20.1
169.59126	15.3
172.02057	12.1
173.01341	8.3
173.02922	12.4
174.58379	10.4
175.02757	13.3
175.04095	9.5
175.07529	18.0
176.04701	19.0
177.05466	48.0
178.08687	38.3
180.09921	8.8
180.12639	7.9
181.97974	8.8
182.99675	21.3
183.05017	16.7
183.58890	70.9
185.02992	9.4
187.02725	7.4
189.05591	7.6
190.59532	10.1
192.03757	7.6
192.05502	27.3
192.10172	42.9
192.53416	8.2
193.12163	16.7
194.15425	9.2
199.60152	42.0
201.00624	35.3
201.04312	12.4
201.06013	10.7
203.03964	11.5
203.52670	10.6
206.04462	15.0
206.08200	9.3
207.04718	9.1
207.60860	8.1
208.04308	21.2
208.11459	22.5
208.88322	9.3
211.07469	7.7
212.08080	13.2
212.53110	10.4
219.01706	29.9
224.09276	37.2
224.12949	21.1
224.15906	12.9
226.04405	9.3
230.47189	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	224.1281
Annotation	Maokonine
Peak:m/z	Relative Intensity
51.26734	1.0
53.03942	1.1
55.01862	1.3
55.05502	2.1
56.96566	8.8
57.03445	1.5
58.06586	4.1
59.04990	1.8
67.05485	1.5
68.05008	1.8
69.03405	3.1
69.07072	1.2
69.11449	1.0
69.95847	5.4
71.39417	1.0
72.08155	6.1
73.02913	2.4
79.05515	6.1
81.03420	2.2
81.07036	3.2
83.04984	1.3
84.04504	1.3
84.08150	1.8
84.96014	1.6
85.02896	3.3
91.05476	12.1
93.07042	2.4
95.04962	2.2
97.02867	5.2
98.97575	8.6
103.05479	11.7
105.07039	33.4
107.04320	1.2
107.04924	6.3
107.08588	1.3
109.10155	1.3
110.09694	1.5
110.97533	1.4
116.98613	4.2
117.07025	1.7
118.06551	13.0
119.01846	2.0
119.04881	1.3
119.07274	2.0
120.08115	23.4
127.03918	1.5
128.06223	4.4
130.06520	4.1
131.04916	4.1
131.07281	3.3
131.08519	2.3
132.08086	2.3
135.08084	1.3
137.05960	1.4
143.08578	4.0
147.04382	6.1
158.99661	3.3
159.04883	1.7
160.11220	100.0
164.07080	1.3
168.05397	2.6
175.03964	1.7
177.00745	2.1
178.12273	87.3
182.08180	1.0
182.99681	1.7
183.03079	2.1
189.12482	1.2
192.03699	2.6
192.05344	1.3
194.06984	3.8
201.00705	4.1
201.04366	1.5
203.07538	2.5
203.57628	2.2
206.08221	1.1
206.11745	15.0
207.04764	8.0
212.08060	1.4
219.01765	2.7
224.06627	3.1
224.09184	2.5
224.12817	53.5
224.16264	2.1
226.04367	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	223.1329
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03943	0.7
53.33194	0.1
55.01873	1.2
55.05513	5.1
56.96559	0.2
57.03423	0.2
65.03933	0.4
66.04716	0.3
67.05503	4.3
69.03429	0.4
69.07068	4.7
70.37973	0.3
70.38365	0.4
71.04990	0.5
71.92390	0.2
79.05069	0.2
79.05495	3.5
81.03418	8.7
81.06590	0.2
81.07056	3.7
83.04961	0.6
83.08623	2.4
85.02890	0.3
85.06525	0.3
87.08099	0.3
91.05485	1.9
93.03381	0.2
93.07047	2.0
94.04186	3.1
95.04971	13.9
95.08607	2.0
97.02895	0.2
97.06524	0.3
97.10171	0.2
98.97569	0.3
99.08088	0.2
103.05437	0.2
105.04556	0.2
105.07034	1.1
107.04948	4.4
107.08601	0.9
109.06509	1.2
109.10168	0.3
111.08067	0.3
116.98496	0.2
117.07010	1.1
119.08585	0.9
121.06552	0.7
121.10143	0.5
123.04506	0.3
123.08050	0.7
131.08607	0.9
133.10152	0.3
135.08032	0.6
135.11702	0.5
141.07025	0.2
143.08574	0.3
145.06459	0.4
145.10127	1.1
147.08049	0.2
149.02287	0.5
149.09633	0.4
151.43834	0.1
159.11678	0.4
161.09631	0.3
163.11206	1.0
177.12766	0.2
187.11134	0.2
205.12268	1.4
223.13289	100.0
224.13611	0.8
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
53.03930	1.0
55.01876	1.2
55.05515	6.0
56.96569	1.6
57.03428	0.5
57.07074	0.5
58.19135	0.2
58.91071	0.2
59.04981	0.2
65.03928	0.6
66.04716	0.3
67.05180	0.4
67.05508	5.8
69.03421	0.4
69.07068	5.0
69.49300	1.4
70.98118	0.4
71.04978	0.8
73.02909	0.2
73.06553	0.2
76.10452	0.2
79.05494	4.2
81.03419	9.8
81.06586	0.3
81.07057	6.4
83.04963	1.0
83.08623	2.7
85.02902	0.5
85.06544	0.6
87.08086	0.4
91.05475	2.8
92.47290	0.2
93.07044	3.0
94.04189	3.5
95.04970	20.5
95.08608	4.2
97.02888	0.4
97.06523	0.7
98.97594	1.3
99.08068	0.2
99.97882	0.4
103.05450	0.2
105.07020	1.9
107.04953	4.6
107.08613	1.7
109.06534	1.5
109.10152	0.9
111.08076	0.5
116.98648	0.5
117.07011	1.5
119.08591	1.2
121.06504	1.3
121.10105	1.3
123.08057	1.3
125.05994	0.5
129.06944	0.2
131.00208	0.4
131.08585	1.5
133.10109	0.7
134.99661	0.3
135.04362	0.3
135.08069	0.8
135.11662	0.7
136.25237	0.2
137.09647	0.3
145.06470	0.3
145.10121	1.7
147.08118	0.4
149.02344	1.2
149.05978	0.4
149.09607	0.4
149.13258	0.3
158.99741	0.3
159.01674	0.2
159.11710	0.9
161.09634	0.4
163.11183	2.4
169.10069	0.3
177.00748	0.4
177.12764	0.4
182.05713	0.3
182.09586	0.7
187.11116	0.5
187.14793	0.3
191.06981	0.3
191.10191	0.8
193.10074	0.3
200.10690	0.4
205.12244	2.1
223.13286	100.0
224.13576	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
50.01568	1.4
51.02374	1.8
53.03946	45.2
55.01869	9.5
55.05508	9.1
56.96561	4.4
57.03437	1.2
57.07052	2.2
65.03928	3.5
67.05505	69.7
69.03423	2.3
69.07064	11.8
70.73085	3.6
71.04975	5.1
77.03902	1.1
79.05492	39.6
81.03416	100.0
81.07056	72.7
83.04976	11.0
83.08607	3.7
85.02877	2.5
85.06550	2.7
91.05478	23.5
93.07046	36.9
95.04965	30.6
95.08604	38.6
97.06527	7.1
98.97588	4.6
99.04469	1.7
99.08068	3.1
99.61544	1.0
103.05467	2.9
105.07027	16.6
106.16017	1.3
107.04956	29.5
107.08594	13.4
109.02887	1.9
109.06513	6.3
109.10155	4.6
109.33160	1.1
111.04482	1.2
111.08075	4.3
115.05443	1.4
116.98615	2.7
117.07012	15.4
119.04918	1.6
119.08586	4.0
121.06516	11.1
121.10123	6.7
123.04456	3.2
123.08073	27.4
123.11706	4.3
128.06158	1.4
129.07027	2.9
131.04964	2.2
131.08554	12.6
133.06490	3.6
133.10121	8.9
135.08023	4.8
135.11700	21.8
139.07494	1.7
141.06979	7.7
143.08582	3.1
145.06497	18.5
145.10127	8.0
147.08064	1.9
149.02347	6.9
149.09607	3.0
149.13248	8.3
151.11171	4.3
153.09178	1.2
154.07782	3.1
155.05962	1.6
157.10132	1.4
159.08025	4.3
159.11678	19.5
163.11166	4.7
169.10124	8.6
177.00633	1.4
177.12769	9.3
182.10475	1.2
187.11183	12.8
195.13828	2.4
205.12257	4.8
205.15868	1.5
223.05908	2.8
223.13220	11.5
223.16899	5.0
225.04420	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03946	39.9
53.04202	1.9
55.01672	1.1
55.01877	11.1
55.05508	7.6
56.96569	2.3
57.03439	1.7
57.07085	1.4
57.74326	0.9
62.09237	0.9
65.03928	3.1
67.05505	58.5
69.03418	3.3
69.07080	6.2
70.63322	2.9
71.04980	3.2
71.40768	0.9
73.06542	0.9
74.90844	0.9
77.43763	0.9
79.05493	30.3
81.03416	100.0
81.07056	62.2
83.04984	12.0
83.08613	4.1
85.06540	2.4
86.41703	0.9
91.05475	22.7
91.06013	1.5
93.07046	35.1
95.04966	30.1
95.08607	36.5
97.06542	5.0
98.97604	2.4
99.08076	1.6
103.05475	2.3
105.07030	13.8
107.04212	1.6
107.04954	25.5
107.08594	11.6
109.02855	1.0
109.06551	5.8
109.10165	4.2
111.04413	1.8
111.08061	3.0
113.05982	1.0
115.05471	2.6
116.98576	1.5
117.07022	14.8
119.04929	2.1
119.08579	4.7
121.06480	8.8
121.10126	5.4
123.04423	2.5
123.08070	24.0
125.05975	1.1
127.07520	1.5
128.06244	1.6
129.06998	3.3
131.04918	2.5
131.08566	13.5
133.06476	3.2
133.10120	5.9
135.04503	1.4
135.08066	5.3
135.11682	19.8
137.06023	1.0
141.06963	5.7
143.08578	2.3
145.06490	17.0
145.10114	8.1
147.08118	1.4
149.01273	1.0
149.02332	3.9
149.09605	2.1
149.13254	8.0
154.07751	2.0
158.97678	1.0
159.08066	3.1
159.11676	16.8
161.09566	1.6
163.03932	1.2
163.11160	2.8
169.10121	6.4
172.08763	1.0
173.07196	1.5
173.09708	1.2
177.12767	8.3
182.07762	1.0
187.11171	10.4
193.44292	1.0
195.13799	2.3
205.12221	5.0
223.05937	1.8
223.13264	21.6
223.16844	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31518	0.7
55.01856	0.7
56.96563	2.2
61.02919	1.8
71.07376	1.2
71.14867	1.0
71.15229	1.5
71.18991	0.7
73.02913	1.1
83.79387	0.7
85.02903	1.6
86.09225	1.1
86.09710	14.3
94.06573	26.7
95.06898	1.5
97.02879	1.5
98.97587	4.8
101.00803	0.8
116.98562	0.9
119.01794	1.5
128.02338	2.3
128.98615	0.8
136.04225	1.6
141.03105	0.9
147.03087	1.0
156.03644	1.4
162.94621	14.6
178.05238	1.0
180.03244	1.4
196.06375	1.0
198.04379	1.6
222.01997	100.0
222.04251	7.4
233.56445	0.7
240.05399	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03942	1.4
55.05509	11.5
56.96557	3.8
57.03428	1.0
57.07080	5.5
66.74086	0.9
67.05187	1.1
67.05512	12.3
69.07071	23.1
71.04987	2.8
71.08646	1.2
71.56725	1.9
73.81281	0.9
79.05495	9.9
81.03448	0.9
81.07057	36.1
83.04946	1.8
83.08624	10.7
85.06541	1.7
85.10176	1.9
91.05478	9.9
93.07048	20.4
95.04968	1.7
95.08610	46.0
97.06505	2.9
97.10189	5.0
98.97604	5.9
99.08089	1.7
105.07034	33.1
106.07398	1.0
107.08598	40.8
109.06499	1.6
109.10155	31.6
111.08072	3.0
111.11741	4.4
116.98605	2.1
117.06980	1.3
119.06046	0.9
119.08586	26.6
121.06501	1.2
121.10154	20.0
123.08098	2.3
123.11713	9.2
125.09632	13.3
131.08577	1.8
133.02876	1.5
133.06499	1.3
133.10133	21.3
134.99730	1.4
135.11710	7.2
137.05991	1.2
137.09628	3.6
137.13199	1.7
139.11180	3.5
145.10139	2.3
147.07971	2.3
147.11693	34.2
151.11182	5.5
159.11679	2.3
161.09578	1.9
161.13268	22.1
163.14850	8.0
165.12744	5.2
175.02794	3.0
175.07439	1.2
175.11263	1.0
175.14838	20.1
177.16388	6.7
179.03307	1.4
179.98203	1.0
193.15852	1.4
203.17961	100.0
204.18306	1.1
213.50441	1.1
221.04466	5.8
221.07878	1.4
221.11629	2.3
221.13376	1.9
221.15717	7.2
221.19014	63.1
231.23900	1.0
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
50.30029	0.8
53.03947	1.4
55.05305	0.9
55.05516	9.9
55.31232	0.9
56.96550	1.2
57.07072	3.1
59.04981	1.1
60.30402	0.8
63.61290	0.8
65.03919	1.1
67.05506	10.4
69.07075	11.1
70.73396	2.5
71.04997	20.6
79.05496	17.6
81.07063	78.5
83.04967	1.3
83.08622	4.2
85.06536	4.0
91.05482	10.3
93.06475	1.9
93.07053	36.5
95.04944	1.3
95.08611	32.1
97.06531	2.5
97.10172	2.7
99.08102	4.4
105.07037	29.9
107.08602	64.3
109.06521	1.7
109.10166	25.4
111.08122	1.8
111.72018	0.9
113.09650	2.2
119.06060	1.3
119.08593	42.4
121.06492	1.0
121.10140	15.0
123.08064	1.4
123.11723	17.4
127.11185	7.5
133.10143	26.1
135.11702	100.0
137.09627	2.7
137.13268	3.0
145.10104	1.2
147.11697	20.7
149.13258	5.8
151.11221	2.1
153.12697	1.2
159.11781	1.4
161.13271	13.1
163.14824	5.1
165.12762	3.0
175.14864	4.9
177.16397	4.3
202.44705	0.9
203.17970	36.3
221.04420	2.3
221.11818	1.5
221.15486	2.0
221.19025	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03941	2.9
55.05510	17.5
56.96554	4.7
57.07081	11.7
63.92118	1.8
65.03931	3.6
67.05185	1.9
67.05506	21.0
69.07066	33.8
70.14700	7.5
71.04979	8.1
72.30637	2.2
75.50430	1.6
79.05492	18.1
79.72198	1.9
81.03368	1.8
81.07057	100.0
83.04967	3.1
83.08627	10.7
85.06535	5.0
88.11283	1.9
91.05487	15.6
91.58128	2.5
93.07045	35.7
95.04934	2.9
95.08607	66.9
97.06525	15.5
97.10161	4.4
98.97560	4.8
99.08079	3.9
105.07034	65.5
107.08592	59.9
109.06500	7.5
109.09466	3.5
109.10159	52.3
111.11709	5.4
117.07034	3.0
119.08582	72.5
121.10144	25.9
123.08038	4.5
123.11708	29.8
125.09609	3.2
127.11110	3.7
131.08533	2.7
133.09143	2.3
133.10132	34.4
135.11688	46.0
137.05974	3.8
137.09567	4.6
137.13229	6.3
141.11481	3.5
145.10075	5.5
147.11684	77.7
149.02353	22.2
149.13243	10.5
151.11185	4.2
157.01720	2.6
161.13252	26.5
163.14873	9.1
165.12749	12.7
175.02731	4.2
175.14836	5.0
177.09093	2.1
177.16408	7.2
193.19609	2.0
199.17995	2.3
203.10765	2.1
203.17953	80.8
212.95837	2.0
221.04510	5.4
221.11696	7.7
221.15392	8.7
221.19012	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.18200	1.0
53.38373	1.0
55.05512	9.5
55.38415	1.0
57.07079	5.2
57.51754	1.3
59.04997	2.3
67.05507	11.6
69.07069	22.4
69.86602	6.1
71.04979	3.5
73.76071	1.0
79.05489	7.8
81.07062	31.3
83.08615	9.9
85.06531	2.2
85.10175	2.7
91.05471	7.0
93.07045	17.9
95.04950	2.2
95.08607	47.6
97.06487	1.8
97.10172	7.6
98.97531	1.6
99.08100	2.0
105.07032	31.5
105.62640	1.0
107.08598	35.7
109.06533	2.6
109.09463	2.1
109.10160	30.7
111.08088	2.7
111.11696	1.6
119.08582	26.9
121.10134	17.5
123.08067	1.9
123.11717	9.0
125.09637	14.2
133.02879	1.4
133.10136	17.9
135.11720	5.4
137.09604	3.0
137.13255	1.6
139.11206	3.1
145.10153	1.9
147.11682	33.9
149.13229	1.7
151.11186	4.7
161.13275	17.2
163.14848	10.9
165.12761	7.7
175.14836	16.5
177.16385	8.1
203.17966	100.0
204.18266	1.7
221.04456	3.2
221.11778	1.5
221.15428	4.8
221.19005	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	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.48269	1.1
53.03941	1.4
55.05306	0.9
55.05511	9.9
57.03437	1.1
57.07069	3.4
59.05005	1.4
67.05237	1.0
67.05509	11.1
69.07069	12.1
69.41589	9.4
71.04992	22.5
79.05496	18.2
80.01365	1.0
81.07058	100.0
83.04982	1.2
83.08601	5.4
85.06568	2.0
91.05487	12.4
93.07045	44.7
95.04947	1.2
95.08617	31.6
97.06541	3.0
97.10160	2.6
99.08084	4.6
105.07034	34.6
107.08595	56.7
109.06488	2.2
109.10161	28.2
111.08092	1.4
111.11710	1.3
113.09642	1.4
117.06965	1.9
119.08586	54.9
121.10144	12.2
123.08060	1.5
123.11699	18.4
125.09625	3.0
127.11198	10.6
133.10126	23.3
135.11699	98.3
137.09590	2.9
137.13231	3.5
139.11142	1.9
145.10097	2.5
147.11696	26.0
149.13278	9.8
151.11172	3.2
153.33400	1.1
159.11688	1.9
161.13239	10.1
163.14815	6.1
165.12726	2.4
175.14801	3.9
177.16391	3.3
180.55016	1.2
203.17966	48.5
218.90208	1.0
221.04570	2.0
221.15450	2.2
221.19009	57.0
225.95352	1.0
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
50.77000	0.6
53.00299	0.7
53.03949	2.5
55.01867	1.2
55.05510	11.6
56.96565	5.8
57.03421	1.2
57.07069	5.4
58.47802	0.6
59.04999	1.3
65.03938	1.6
67.05179	1.1
67.05510	15.5
69.03415	1.3
69.07069	17.9
69.39820	1.3
69.40226	4.3
70.06592	1.5
71.04993	17.5
71.08623	1.3
73.06537	1.4
77.03904	0.9
79.05492	20.8
81.03412	1.1
81.07057	84.9
83.04990	3.4
83.08614	6.9
85.06554	5.2
91.05482	14.3
93.07047	43.2
95.04967	2.6
95.08608	46.1
96.08134	1.9
97.06519	4.5
97.10155	3.7
98.21422	1.5
98.97580	3.4
99.04443	0.7
99.08098	3.9
105.03410	1.5
105.04500	1.0
105.06306	1.1
105.07034	33.5
107.08597	74.6
109.06497	4.1
109.10158	35.4
111.08082	5.0
111.11680	2.0
113.09647	1.8
116.98644	0.9
117.07015	2.0
119.01946	0.8
119.08583	48.8
121.06499	1.4
121.10149	21.4
123.08086	2.6
123.10818	1.4
123.11703	20.2
124.07608	4.6
125.09634	4.4
127.11198	7.9
131.08585	2.1
133.02867	1.3
133.06578	1.4
133.09128	1.4
133.10135	27.9
134.99707	0.9
135.11693	100.0
137.05994	2.7
137.09599	4.7
137.13254	3.9
139.11143	1.5
142.71994	0.7
143.01926	1.1
143.08594	1.9
145.10150	2.6
147.08069	1.5
147.11691	31.8
149.02309	1.4
149.13251	9.0
151.11180	7.0
151.14746	1.0
153.12787	1.3
157.01743	2.5
159.11699	2.1
160.12492	1.2
161.05974	1.3
161.09637	2.1
161.13257	16.3
163.11226	1.4
163.13567	1.2
163.14822	11.3
165.09120	2.3
165.12808	4.0
173.13283	0.9
175.02797	8.7
175.07507	0.8
175.11235	1.2
175.14819	7.9
177.09111	0.8
177.16435	3.3
179.03409	1.5
179.10675	0.9
179.17924	0.8
189.80475	0.7
193.03810	3.4
193.08696	0.9
193.19501	1.0
198.04243	1.1
198.07910	1.8
203.06905	0.7
203.10712	1.9
203.14368	2.7
203.17957	54.2
221.04414	6.5
221.08043	1.4
221.11874	3.8
221.15633	8.9
221.19006	53.9
222.14871	5.5
238.14900	0.8
239.09494	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.70293	0.7
51.02366	0.8
53.03937	1.4
55.05506	8.6
56.96553	1.8
57.07072	3.7
57.12824	0.7
59.04990	0.8
59.47349	0.8
65.03932	1.5
65.96897	0.7
67.05500	7.9
69.07069	9.9
70.80606	1.6
71.04994	14.8
71.08624	0.9
79.05491	16.0
81.07056	66.1
83.04968	2.2
83.08624	3.7
91.05478	8.9
93.07042	36.1
93.07635	1.9
95.04993	1.4
95.08608	21.1
97.04960	0.9
97.06516	1.2
97.10175	2.1
98.97569	2.1
99.08096	4.8
101.00889	2.5
105.07033	23.4
107.08597	52.8
109.06516	2.5
109.10156	16.9
111.11732	1.1
111.83548	0.8
113.09671	1.2
116.98644	0.9
117.07022	2.6
119.01925	2.8
119.08585	38.1
121.09366	0.9
121.10136	6.9
123.08062	1.5
123.11694	16.0
127.11201	7.7
128.10278	0.8
131.01848	1.2
133.06511	0.8
133.10130	23.3
135.08069	2.0
135.11690	100.0
137.05960	2.5
137.09625	1.7
137.13271	2.3
139.11156	1.4
143.01944	4.2
145.03406	0.8
145.10130	2.5
147.11687	18.2
147.12762	0.6
149.02350	3.5
149.13225	4.4
151.11217	1.6
155.01730	0.9
158.99686	1.0
159.11757	1.2
160.12428	1.1
161.02933	3.3
161.13258	13.8
163.14842	3.1
165.12793	1.6
175.07603	1.1
175.14838	3.1
177.09052	4.4
177.16386	1.7
185.06520	1.0
191.16660	0.7
193.15999	1.0
203.14380	2.2
203.17963	28.3
205.12236	2.8
221.04550	2.8
221.07932	0.9
221.11821	0.9
221.15720	3.9
221.19017	28.9
221.22035	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03939	2.4
54.00933	1.6
55.05515	12.9
55.79432	1.5
56.96553	6.6
57.07070	3.2
61.30699	1.6
63.77154	1.5
67.05496	15.7
69.03420	1.7
69.07071	13.2
69.47400	1.5
71.04636	2.2
71.04996	18.4
71.25811	2.1
71.26128	2.0
79.05493	18.4
80.54304	1.5
81.07059	100.0
83.04991	3.6
83.08614	5.3
85.06540	2.5
91.05471	12.7
93.06479	2.6
93.07043	43.6
95.04980	3.2
95.08614	35.3
97.06511	3.0
97.10181	2.5
98.97573	7.4
99.08086	6.3
105.07043	31.3
107.08597	63.3
109.06512	2.1
109.10154	27.0
111.08047	2.3
111.11726	3.2
116.94482	1.8
116.98596	3.0
117.06995	3.0
119.06881	3.7
119.08582	48.4
121.10155	14.1
123.11709	19.4
125.09591	3.0
127.11190	7.6
131.08525	2.9
133.10129	27.4
135.06335	2.4
135.08116	1.9
135.11697	98.5
137.05972	4.2
137.09634	3.1
137.13196	2.8
139.11237	2.7
140.51331	1.7
143.08604	2.1
145.10083	2.8
147.07997	2.4
147.11685	24.3
149.13269	7.7
151.11113	2.9
152.06616	2.6
158.99651	3.2
159.11684	2.8
161.09682	2.9
161.13293	18.7
163.09538	3.6
163.14804	5.1
165.12732	3.3
175.02812	2.4
175.14818	5.2
177.09061	2.1
177.14705	17.9
177.16286	2.5
185.13290	3.1
189.07768	2.8
191.12692	2.1
203.10631	2.8
203.14322	4.5
203.16048	2.5
203.17952	42.4
221.04471	5.5
221.07962	2.9
221.13635	5.2
221.15529	4.1
221.17284	91.2
221.19064	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03933	1.8
53.53083	0.9
55.05508	7.0
56.96559	1.5
57.07056	3.1
65.03927	1.1
66.17834	0.8
67.05505	8.1
68.84682	0.9
69.07068	8.4
70.19356	3.6
71.04995	20.9
79.05492	16.6
81.07056	68.0
83.04929	1.1
83.08606	4.2
85.06559	1.3
91.05492	9.8
93.07043	33.4
93.58591	1.0
95.04942	1.9
95.08610	21.0
97.06509	1.3
97.10148	1.7
98.21498	1.1
98.97584	1.2
99.04469	1.1
99.08070	3.7
104.01769	0.9
105.07038	20.1
107.04913	0.9
107.08597	54.7
109.06495	1.3
109.10155	17.7
111.08071	2.4
111.11716	1.4
113.09736	1.2
115.01223	1.2
117.07000	2.2
118.02060	1.0
119.08582	39.0
121.10138	8.0
123.08013	1.5
123.11710	14.4
127.11169	7.7
133.10124	19.1
135.11691	100.0
137.06001	1.1
137.09589	2.3
137.13237	2.1
143.08546	1.1
145.10095	2.3
147.11694	18.6
149.13269	5.5
151.11192	2.3
159.11711	1.1
160.12445	1.2
161.13257	11.0
162.06787	1.3
163.14804	3.9
165.12697	1.2
175.07616	1.6
175.14871	1.8
177.09113	22.1
177.14677	3.5
189.07741	1.5
203.10768	1.2
203.17955	30.3
221.11777	1.3
221.15401	1.7
221.17226	14.9
221.19011	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03936	2.6
55.05508	9.5
56.96552	3.9
57.03438	1.6
57.07069	5.6
59.05005	1.7
67.05234	0.8
67.05507	10.0
69.03405	1.1
69.07063	11.6
70.60822	1.6
70.61163	1.4
71.04994	17.1
71.20856	0.9
72.34810	0.9
73.02917	1.1
73.06557	1.1
79.05495	20.4
79.61988	1.0
81.03426	1.1
81.07056	77.8
83.04967	2.6
83.08624	6.0
85.02904	2.2
85.06522	1.3
91.05479	12.6
93.07047	37.3
95.04938	2.7
95.08612	26.8
95.09154	0.6
97.02876	1.7
97.06512	3.7
97.10169	2.2
98.97573	3.9
99.08074	4.3
105.07031	29.3
107.08597	59.0
109.06525	3.0
109.09385	1.0
109.10148	21.2
111.08047	3.5
111.11691	1.0
116.98629	1.2
117.07011	2.7
119.08579	50.0
121.10131	10.9
123.08063	3.5
123.10851	1.4
123.11708	16.4
125.09607	3.8
127.11180	8.2
131.08582	1.3
133.10123	29.7
135.08020	2.0
135.11691	100.0
137.05963	2.1
137.09616	4.0
137.13322	1.9
139.11121	1.1
145.04887	0.9
145.10097	3.5
147.08012	3.7
147.11685	20.7
149.02362	1.9
149.09601	1.2
149.13257	6.2
151.11169	2.9
158.99620	1.1
159.11703	2.1
161.09622	1.7
161.13278	14.2
163.11168	3.0
163.14825	3.6
165.09105	1.3
165.12730	2.5
175.02739	1.0
175.07581	1.4
175.11180	2.2
175.14857	8.2
177.09203	1.0
177.14708	3.1
179.03534	1.0
179.14238	1.3
185.13200	2.1
190.06737	1.8
193.15918	1.2
199.07368	1.5
203.14397	5.2
203.17961	32.5
205.12282	1.1
208.65527	1.0
213.20113	1.0
221.04375	4.3
221.11792	2.1
221.15355	10.0
221.17236	14.1
221.19002	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	Penienone
Peak:m/z	Relative Intensity
53.03934	6.8
55.01866	6.9
55.05511	19.9
56.96574	13.1
57.03421	2.3
57.07068	3.8
65.03944	3.8
65.30253	1.9
67.05508	58.2
69.03442	1.7
69.06729	2.2
69.07071	23.2
69.95878	6.9
71.04996	17.9
73.48573	1.5
79.05498	66.7
81.03410	3.3
81.07059	62.3
83.04990	12.6
83.08628	13.5
85.02891	8.4
85.06541	4.5
91.04915	3.5
91.05485	80.9
93.07050	93.6
95.04972	90.8
95.08056	2.9
95.08616	37.9
97.06540	29.0
97.10158	2.8
98.97570	7.1
99.04496	1.6
99.08088	2.6
101.05999	3.1
105.04494	2.9
105.07037	66.6
107.04960	33.6
107.08604	37.9
109.06534	12.9
109.10160	15.3
111.04448	14.6
111.08051	5.4
115.05428	2.8
116.98582	3.6
117.07022	20.2
119.08578	38.7
121.06499	11.6
121.10186	12.7
123.08083	8.9
123.11747	2.1
129.07013	20.3
131.08589	10.7
133.06511	17.0
133.10132	19.5
135.08026	5.5
135.11687	10.7
136.66704	1.8
137.05984	3.3
137.09595	5.7
139.07581	1.7
143.08559	17.6
145.06377	1.8
145.10114	19.3
147.04364	2.0
147.08037	6.8
147.11693	92.7
149.13222	1.7
157.01601	1.9
157.10132	4.5
158.01147	1.9
159.11688	9.7
161.09616	6.2
161.13266	37.2
163.11198	18.9
165.09183	2.8
171.11693	29.9
175.02824	4.7
175.11153	5.2
175.14832	8.8
177.12677	2.4
179.03499	2.9
179.14310	26.4
181.08707	3.0
182.07713	2.2
185.13271	16.4
186.64297	2.1
189.08487	5.8
189.10225	2.0
189.12764	27.0
193.12378	1.8
198.09108	4.7
200.59303	3.5
203.14369	12.5
203.17987	2.8
206.10706	1.7
221.04488	9.5
221.07750	2.2
221.15366	100.0
221.18909	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	221.1536
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
50.01593	0.6
53.03947	5.4
55.00683	0.4
55.01881	1.5
55.05513	8.1
56.96573	4.1
57.07084	0.8
59.05001	0.7
65.03938	1.5
67.05507	10.0
69.03445	0.5
69.07069	11.1
69.64959	1.9
69.65376	0.9
71.04995	2.3
73.06561	1.1
77.03909	1.7
79.05495	50.6
81.03401	0.6
81.07059	30.7
82.07442	0.6
83.04984	1.8
83.08622	4.4
85.02911	1.3
85.06556	3.6
86.64926	0.5
87.04475	0.6
89.15134	0.5
91.04901	1.2
91.05483	35.6
93.07047	100.0
95.04971	5.8
95.08611	15.3
97.06531	1.7
98.20756	0.9
99.04442	0.5
99.08103	0.9
101.06016	1.3
103.05486	0.5
105.04533	2.6
105.07034	28.7
107.04971	0.6
107.08598	59.7
109.06523	4.7
109.10172	1.9
111.08096	0.9
112.68729	0.4
117.07034	4.6
119.06078	1.3
119.08585	30.0
121.06509	2.7
121.10148	14.5
121.11031	0.7
123.04407	0.5
123.08058	3.8
127.07549	1.4
128.06207	1.2
129.07037	3.0
131.08578	6.1
133.02882	0.8
133.06476	0.5
133.10147	8.4
135.08080	2.1
135.11679	1.5
137.09618	0.9
139.07510	0.9
140.61902	0.5
143.08569	7.1
145.10130	1.6
147.08051	2.4
147.11705	4.2
153.09081	1.1
157.01721	1.4
157.10107	3.7
159.11702	6.7
161.06104	0.5
161.09628	3.7
161.13255	26.8
165.09132	2.0
170.10963	0.9
175.02808	5.9
175.11182	5.8
175.14793	6.9
179.10712	0.9
185.13271	15.6
189.01959	0.4
193.03854	2.2
198.04305	0.7
203.10535	0.5
203.14330	9.6
206.16147	0.5
221.04379	2.3
221.07951	0.6
221.15364	33.6
236.91008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
50.81719	0.4
57.07053	0.6
58.10896	0.4
70.01498	1.2
70.06569	0.5
79.05431	0.5
81.07076	2.0
82.02922	1.5
83.04913	0.5
83.08631	0.5
91.05466	0.6
94.06583	2.9
95.33033	0.4
98.97580	0.9
99.08070	0.6
99.18133	0.4
104.05021	0.5
105.07040	0.6
108.67982	0.5
111.08076	0.6
115.05475	0.5
116.98614	0.4
119.01922	0.5
119.08561	0.8
120.08135	0.7
121.06432	0.6
129.07016	0.6
130.06532	41.5
132.04456	31.9
137.05956	1.3
147.09198	1.0
148.07599	0.8
157.07620	19.3
158.06020	66.4
161.05937	0.5
162.05525	0.5
175.08678	100.0
176.07074	2.0
176.08841	0.3
179.10687	0.7
186.05467	2.0
189.05605	0.4
193.15965	0.5
195.97733	0.4
203.08203	1.5
204.06573	3.8
221.04657	2.3
221.09241	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	220.1697
Annotation	Fabianine
Peak:m/z	Relative Intensity
54.25253	0.1
55.05486	0.1
56.96566	0.2
57.08500	0.1
60.04551	0.1
62.03774	0.1
62.35340	0.1
69.45299	0.1
70.95263	0.3
79.07266	0.1
98.97596	0.5
105.07035	0.2
109.10121	0.1
117.06943	0.2
118.06547	7.7
119.07328	0.2
121.10133	0.3
122.05943	0.2
132.08092	2.0
133.08876	1.1
134.09592	0.6
144.08066	0.2
146.09639	2.3
147.10411	0.2
150.05414	0.2
158.99651	0.3
160.11240	0.4
162.09149	4.3
176.10785	3.2
176.14349	23.8
177.00670	0.1
177.11475	1.1
178.12247	0.2
190.12263	2.5
192.13820	0.1
202.15904	1.0
204.13876	0.2
220.16965	100.0
221.17268	0.7
226.54063	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	220.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
55.05509	1.7
56.96562	0.6
57.07079	6.3
59.05009	4.9
60.18760	0.7
67.05502	5.4
69.03429	0.9
69.07071	6.5
70.02946	6.3
70.72135	1.2
72.04516	17.0
72.08156	3.0
73.02914	4.1
74.02433	1.0
79.05500	0.8
81.07080	0.9
83.04972	2.0
83.41045	0.6
85.06071	0.9
85.06549	10.3
86.06074	2.2
86.09704	1.3
87.04456	4.5
87.08096	1.7
90.05557	100.0
95.04975	6.3
96.08129	1.9
98.02419	19.1
98.06068	7.1
98.97617	0.9
100.03987	1.6
103.07583	8.2
112.07607	0.9
113.06023	3.3
116.03465	17.5
123.04566	0.6
124.07597	20.8
130.37872	0.7
131.07036	1.8
140.10693	5.4
142.08650	9.2
144.10265	0.7
156.10213	1.6
157.53101	0.6
158.11784	22.2
160.09712	2.2
166.08624	2.2
174.11299	2.9
184.09700	23.6
202.10751	32.9
202.14435	2.7
202.37123	0.7
205.15771	0.9
210.92680	0.6
220.11806	42.8
220.15431	4.3
220.17633	1.4
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	Pantothenate
Peak:m/z	Relative Intensity
52.32462	0.6
55.01873	1.1
55.05516	3.0
56.96557	1.3
57.03441	1.2
57.07075	5.3
59.04995	4.2
61.02919	0.6
67.05499	4.9
69.03443	2.8
69.07082	4.9
69.73179	3.1
70.02954	5.6
70.06593	2.1
72.04518	15.7
72.08154	12.2
73.02914	3.1
74.02443	1.6
79.05512	1.6
81.07052	3.9
83.04972	1.2
85.02899	1.1
85.06551	9.3
86.06064	6.7
86.09701	2.3
87.04471	20.3
87.08117	2.1
90.05557	97.9
91.55826	0.6
93.25734	0.6
95.04978	7.4
96.08147	1.7
97.02912	0.9
98.02420	15.6
98.06059	27.9
98.09711	0.9
98.20667	0.8
98.97586	2.9
100.03986	2.7
103.07592	6.1
113.06010	2.6
114.48298	0.7
116.03458	13.9
116.98649	1.2
124.07596	16.4
130.08675	0.9
131.07074	0.7
136.06194	1.9
137.05948	3.5
140.10698	22.7
142.08630	6.8
142.40239	0.6
144.10210	1.2
156.10236	1.9
158.11772	100.0
158.99670	1.3
160.09743	2.5
166.08656	1.9
174.11301	1.8
177.00766	0.7
178.52237	0.7
184.09702	19.3
201.81615	0.7
202.10750	30.9
202.14362	11.5
205.15860	1.1
220.11826	42.9
220.15366	19.5
220.17766	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	220.0969
Annotation	(2S,3R)-2-Hydroxy-3-(indol-3-yl)butanoate
Peak:m/z	Relative Intensity
51.02361	0.5
53.03942	1.3
55.05513	3.2
56.05032	1.0
56.05863	0.5
56.96563	5.0
57.03440	0.9
57.07079	1.1
63.02409	0.5
67.05505	2.2
68.05034	5.3
69.03436	2.4
69.07067	1.9
70.02958	0.5
70.06593	0.9
71.04999	2.4
71.56268	0.6
71.95296	0.6
72.04520	4.2
72.05318	0.7
73.02921	1.9
73.06554	0.8
79.05495	14.5
80.05818	0.6
81.06655	0.4
81.07043	2.9
82.07369	1.3
83.04990	0.6
83.08607	0.6
84.04516	1.3
84.08143	0.7
85.02914	1.4
85.06527	0.7
87.04464	1.0
88.22453	0.5
89.20387	0.5
90.05567	0.5
91.05483	19.9
92.05815	3.2
93.07061	3.5
94.07388	2.1
95.04957	1.4
95.08614	2.2
96.04482	1.1
96.08951	1.5
97.02895	2.1
97.06538	1.5
97.17253	0.4
98.06879	0.5
98.97586	8.8
99.60701	0.5
101.00867	2.0
103.05470	19.0
104.05779	0.5
105.07030	100.0
106.06640	1.0
106.07362	5.7
107.04961	13.1
107.05634	1.0
107.08569	2.5
108.08919	0.8
109.06474	0.7
109.10168	0.8
110.01284	0.6
110.10489	1.0
112.99188	0.4
115.02341	0.4
115.05523	0.7
116.98631	2.6
117.07027	2.1
118.06527	1.3
118.07329	1.0
119.01911	2.4
119.04950	0.8
119.07280	0.7
119.08567	2.9
120.08104	11.9
120.08923	3.4
121.03989	0.5
121.06521	2.3
121.10143	1.3
122.10500	1.0
125.09602	0.9
126.09978	1.1
128.02312	0.9
128.06227	1.7
128.98660	0.8
129.03073	1.3
129.07005	15.2
129.07921	1.0
130.06529	13.8
130.07495	0.8
131.00215	0.7
131.01993	0.8
131.04924	7.4
131.07295	0.7
131.08536	1.6
132.08032	0.7
132.08914	2.1
133.10136	7.8
134.05977	0.8
134.10466	6.7
134.99654	1.0
135.06717	0.7
135.11688	0.9
136.12056	1.0
137.02808	0.6
137.05962	1.9
143.00160	0.7
143.01930	1.9
144.08083	4.6
145.03452	1.3
145.06451	1.7
145.08896	0.5
145.10103	1.0
146.09608	13.7
147.08022	0.6
147.11673	0.8
148.04781	0.5
148.07556	1.5
148.12068	0.7
149.01219	1.1
149.02322	1.2
149.05945	1.4
149.09613	0.7
155.04663	3.6
156.08089	17.3
157.03442	0.9
157.05289	0.9
157.06483	2.3
158.99658	2.8
160.12035	2.4
161.01372	0.5
161.02946	2.2
161.05928	0.6
161.09618	0.8
161.13257	0.7
162.13611	1.4
164.07030	0.6
164.10703	0.8
167.01935	0.6
172.07594	1.5
173.01338	0.5
173.02940	0.9
174.09151	75.1
174.13541	1.8
174.87764	0.5
175.07324	1.2
175.14848	0.5
176.06897	2.4
176.10698	6.7
176.15244	0.8
177.00729	2.6
177.12741	0.8
185.02963	2.1
185.11722	1.0
188.07059	0.6
190.09395	1.7
192.10216	1.7
192.14703	0.6
199.57733	0.6
202.09981	0.9
202.16708	2.6
202.60416	0.5
203.04008	3.6
204.14583	1.3
205.15863	5.2
208.06735	1.4
215.03926	1.3
217.07274	0.8
220.09686	72.7
220.13335	5.5
220.17827	14.1
221.04839	0.7
227.74463	0.5
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	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03929	1.4
55.01872	1.8
55.05510	8.5
56.96561	7.3
57.03419	1.6
57.07070	2.1
67.05505	16.1
69.03408	3.3
69.07068	11.3
69.26883	3.7
69.27308	4.0
71.04994	5.9
77.03913	1.3
79.05493	13.7
81.03412	1.0
81.07056	46.4
83.04992	4.6
83.08606	3.4
87.04483	1.1
91.05477	13.3
93.07046	29.5
95.04989	5.1
95.08608	33.1
97.05924	1.2
97.06528	17.5
97.10151	2.1
98.97586	7.5
99.04411	1.0
99.08073	1.3
103.05473	1.1
105.07033	27.7
107.04942	0.9
107.08598	25.2
109.06506	3.2
109.10163	15.8
111.08080	2.7
111.11673	0.9
115.05452	1.8
116.98637	2.1
117.07029	6.8
119.08588	22.3
121.06493	3.4
121.09327	1.6
121.10144	18.4
123.04400	2.2
123.08057	5.5
123.11697	11.2
125.09611	3.4
128.06271	1.2
129.07004	3.4
129.23280	0.9
130.07791	2.1
131.04866	1.3
131.08578	18.8
133.10130	13.3
135.08055	2.4
135.11696	12.6
136.92137	2.2
137.09631	2.0
141.07004	1.9
143.08580	2.3
144.09320	1.5
145.06473	1.5
145.10130	29.2
146.06062	1.1
147.11687	7.9
149.09625	1.5
149.13237	4.6
151.11185	1.1
154.93205	4.5
157.06474	1.1
157.10092	1.7
158.10942	1.1
158.99648	2.1
159.02927	1.1
159.08060	4.1
159.11688	23.2
161.09589	1.6
161.13254	21.0
163.07448	0.9
163.11218	4.2
163.14760	2.1
172.94266	6.1
173.13237	8.7
174.06750	2.9
175.07477	1.6
175.14778	4.9
177.00694	0.9
177.12700	1.4
177.16342	0.9
183.11601	1.2
186.06744	1.0
189.09045	5.5
190.95349	3.0
191.10612	1.7
191.18002	4.2
195.95862	2.0
198.04373	1.2
201.09186	1.1
201.12753	2.5
201.16380	33.7
201.59959	2.1
203.14330	10.1
213.96999	1.1
219.06587	1.4
219.10129	10.3
219.13832	9.0
219.17433	100.0
220.17004	2.3
231.48529	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
51.02374	0.2
51.86861	0.1
53.03952	0.8
55.01872	1.1
55.05512	5.7
56.96557	0.6
57.03450	0.7
57.07071	0.7
59.04990	0.1
65.03929	0.8
67.05505	16.9
69.03426	0.8
69.07064	4.3
70.68777	0.4
71.04995	0.8
77.03956	0.4
79.05493	20.1
81.03418	2.9
81.07058	17.3
83.04987	1.2
83.08620	2.3
85.06523	0.7
91.05480	21.3
93.07042	21.5
95.04969	2.6
95.08607	10.6
97.06531	1.5
97.10180	1.4
99.08083	0.5
101.74581	0.1
103.05461	0.3
104.06253	0.1
105.04547	0.6
105.07030	8.8
105.27942	0.1
107.04953	5.8
107.08591	10.7
109.06512	1.6
109.10157	4.5
111.08079	0.7
113.09638	0.6
115.05457	0.3
117.07018	7.9
119.08582	7.5
121.06506	3.5
121.10143	8.2
123.08078	1.5
123.11703	0.8
125.09636	0.3
129.07011	0.4
130.07790	0.2
131.08566	13.4
133.10129	4.4
135.08052	0.8
135.11687	3.6
137.09601	1.2
139.11154	0.2
143.08559	0.2
145.10124	6.7
146.10805	0.2
147.11655	1.0
149.09622	0.5
149.13263	0.9
151.11156	0.1
153.12752	0.5
154.93216	0.4
159.11688	3.0
159.13020	0.2
160.12437	0.2
161.13284	1.0
163.11234	0.2
163.14781	0.2
172.94316	0.6
173.13271	1.3
175.14760	0.6
177.12732	0.3
190.95364	0.5
191.17975	0.4
195.95837	0.3
201.16377	2.8
203.14246	0.7
213.96901	0.3
219.17433	100.0
220.17729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	Solavetivone
Peak:m/z	Relative Intensity
55.05507	4.9
56.96541	1.0
57.03436	1.1
57.07071	1.8
59.04988	1.6
59.87083	0.7
60.83822	0.6
67.05503	8.8
69.03410	1.2
69.07069	29.2
70.04654	3.2
71.04999	6.8
77.00897	1.5
79.05495	4.8
81.07059	14.1
83.04970	2.0
83.08626	4.4
85.06532	3.7
88.06984	0.7
91.05488	6.5
93.07039	13.5
95.04967	3.1
95.08608	24.6
97.06542	1.9
97.10135	2.1
105.07030	19.4
105.46636	0.7
107.04935	0.9
107.08595	17.6
109.06500	4.8
109.10155	22.9
111.08062	3.1
117.07026	3.1
119.08585	17.5
121.06499	2.7
121.09321	1.3
121.10146	18.1
123.08047	3.1
123.11703	6.1
125.09615	1.8
130.07800	1.4
131.08588	7.0
133.06535	0.8
133.10129	8.6
135.08049	5.5
135.11693	13.8
137.09624	11.2
137.13255	3.0
145.10120	19.6
147.11688	6.5
149.09622	7.1
149.13223	5.3
150.09534	1.2
151.11159	2.0
157.10242	0.9
159.10391	1.3
159.11707	9.8
161.13263	10.4
163.11192	15.9
163.14763	0.7
166.10971	1.9
172.94293	1.0
173.13252	4.0
175.11456	4.0
175.14812	7.3
175.61597	1.0
177.12769	3.1
177.16342	2.5
184.12047	4.4
184.62059	1.6
186.62260	1.6
187.12553	0.9
191.17957	9.5
198.27892	0.7
201.16380	18.6
203.14359	3.6
219.17442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
51.02377	0.2
53.03938	1.1
55.01873	0.9
55.05509	5.7
56.96558	1.1
57.03424	0.7
57.07050	0.5
65.03922	0.8
67.05503	16.2
68.96268	0.2
69.03407	0.8
69.06726	0.3
69.07069	4.1
69.76096	1.0
71.04976	0.6
77.03916	0.5
79.05491	19.2
81.03409	2.6
81.07053	16.5
83.04973	1.1
83.08611	2.5
85.06538	0.5
90.84620	0.2
91.05479	20.1
93.07041	19.3
95.04971	2.6
95.08601	9.7
97.06528	1.5
97.10169	1.2
98.21467	0.4
99.08070	0.5
103.05447	0.5
105.04530	0.5
105.07027	8.9
107.04954	5.6
107.08589	10.4
109.06514	1.5
109.10155	3.7
111.08076	0.6
111.11684	0.3
113.09629	0.5
115.05470	0.3
117.07017	7.4
119.06074	0.2
119.08576	7.5
121.06492	2.8
121.10144	6.7
123.08067	1.5
123.11678	0.7
125.09610	0.5
129.06981	0.3
131.08566	12.7
133.10129	3.9
135.08032	0.6
135.11685	3.8
136.92184	0.5
137.09575	0.8
139.11208	0.3
145.10117	6.2
147.11670	0.8
149.09650	0.4
149.13252	0.7
153.12708	0.6
154.93173	0.8
159.02838	0.2
159.11684	3.5
161.09598	0.2
161.13263	0.7
162.42529	0.2
163.11168	0.3
163.14719	0.2
172.94283	1.2
173.13274	1.5
175.14767	0.5
176.09592	0.2
190.95306	0.6
195.95865	0.5
201.12903	0.2
201.16389	3.1
203.14297	1.4
213.96971	0.2
219.17432	100.0
220.17773	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.03933	0.9
55.01870	1.4
55.05500	2.2
56.96569	8.2
57.03429	1.1
67.05507	5.4
69.03431	1.8
69.07071	4.1
69.40553	5.1
71.04978	1.8
72.08101	0.7
79.05493	4.4
81.07058	6.3
83.04974	1.7
85.02896	1.0
87.36550	0.7
91.04907	0.7
91.05480	12.1
93.07048	4.7
95.04959	2.6
95.08598	3.6
97.06522	4.6
98.97582	14.0
103.05466	2.6
105.07030	8.4
107.04974	0.9
107.08620	4.6
109.06501	1.8
109.10123	2.5
115.05457	7.5
116.06227	2.6
116.86253	0.7
116.98636	3.9
117.07004	4.8
119.04974	0.9
119.08575	6.6
121.06477	1.5
121.10131	5.0
123.04459	3.9
123.08058	1.1
123.11742	1.1
125.09663	0.7
128.06221	6.9
129.07004	29.2
130.07794	4.0
131.04910	5.5
131.07582	1.6
131.08565	31.6
133.06471	1.2
133.10147	6.2
134.99661	1.2
135.04445	0.7
135.08066	1.9
135.11674	1.3
136.92162	1.5
137.05957	3.7
141.06989	25.2
143.04900	2.5
143.08565	2.2
144.05702	4.6
145.06482	5.1
145.10132	8.8
146.07263	3.6
147.11676	2.8
148.05122	0.8
149.72945	0.7
153.07036	0.8
154.93216	2.4
155.03529	0.7
155.06017	1.4
155.08592	0.8
157.06488	16.2
157.07741	1.5
157.10075	0.9
158.05939	1.1
158.07265	16.1
158.99654	1.6
159.02960	1.4
159.04399	2.4
159.08061	23.9
159.11681	7.8
160.05182	3.9
161.05995	2.1
161.09610	4.1
161.13243	3.3
162.06766	1.1
163.07550	2.8
163.11169	2.2
168.05759	1.0
169.06470	12.0
169.07784	1.2
170.07248	5.1
171.07974	1.4
172.94197	3.9
173.05962	4.0
173.09669	1.5
173.13254	2.9
174.06770	57.0
175.07556	8.8
175.14833	1.8
176.08366	0.6
177.00706	1.6
177.09090	0.8
177.12738	0.7
183.11569	0.9
185.06017	1.0
186.06754	12.2
187.07663	3.3
188.08456	3.2
189.09108	75.5
190.95366	2.8
191.06981	1.5
191.10684	6.8
192.59262	1.0
195.95869	1.1
198.09126	1.0
201.09105	28.7
201.12694	2.0
201.16365	5.8
201.59898	3.2
203.14290	7.2
207.04184	1.0
219.10168	100.0
219.13777	6.8
219.17412	32.6
219.19574	1.1
220.10468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
52.24990	0.7
55.05500	1.9
56.96564	3.6
57.03410	0.9
57.36833	0.7
63.00838	0.8
65.03963	0.9
67.05478	2.2
67.69727	0.7
69.03387	1.1
69.07056	2.0
71.04974	2.8
71.07238	2.0
79.05471	1.4
81.07066	3.9
83.08596	0.9
84.58225	0.8
90.05775	0.7
91.05483	20.6
93.07012	3.2
94.50105	0.7
95.04931	1.1
95.08590	3.0
97.06535	1.7
98.97590	11.5
103.03901	1.2
103.05460	2.7
105.07031	7.0
107.04920	0.9
107.08607	4.4
109.10154	1.0
115.05437	6.4
116.06232	2.7
116.98615	2.0
117.07018	3.8
119.08588	6.1
121.06441	0.9
121.10142	1.9
123.08042	0.8
128.06224	6.9
129.07004	30.4
130.07785	2.5
131.04883	5.9
131.07588	1.8
131.08565	30.2
133.06499	1.5
133.10132	10.9
135.11644	1.3
137.05957	4.0
141.06989	28.2
143.04941	2.1
143.08530	2.1
144.05667	5.4
145.06491	5.2
145.10100	4.0
146.07251	3.3
147.11688	1.0
148.05164	1.2
149.09636	0.9
154.93182	1.4
156.05632	0.8
157.06477	18.0
158.07274	16.4
158.99660	3.4
159.03038	1.1
159.04439	3.5
159.08058	23.1
159.11710	4.5
160.05203	3.3
161.05949	1.1
161.09569	3.7
161.13261	2.5
163.07484	1.7
163.11183	1.0
169.06467	11.0
170.07245	5.6
171.04468	1.2
171.07990	1.4
172.94261	2.0
173.06004	4.3
173.09639	1.6
173.13251	1.4
174.06763	57.5
175.07536	10.0
177.00705	1.2
185.06067	1.0
186.06752	14.3
187.07542	1.2
188.08287	4.3
189.09103	79.0
190.09558	0.8
190.95206	1.0
191.02185	0.9
191.10663	5.6
192.59462	1.1
201.09103	31.2
201.10977	1.8
201.16408	2.9
201.59904	3.2
203.14278	3.2
219.10156	100.0
219.17416	24.0
220.10390	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	8.3
70.02850	0.9
70.98125	9.4
71.95266	1.0
72.08155	0.3
72.96053	0.3
84.04539	0.2
84.96051	0.6
86.09716	1.2
87.14771	0.2
88.99165	2.0
89.71563	0.3
98.97590	100.0
99.97942	0.4
110.97607	0.3
112.99150	0.3
116.98627	24.6
128.98604	4.1
129.02290	0.3
131.00182	3.5
134.99667	3.7
140.00198	0.5
146.99678	3.9
149.01245	1.4
157.10599	0.3
158.99660	11.5
165.00716	1.4
175.11665	0.6
177.00725	32.5
177.04292	0.6
189.00714	2.1
195.01772	10.0
203.14328	0.2
207.01729	1.4
219.01765	4.3
219.03625	0.4
219.05272	0.4
237.02788	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24990	0.7
55.05500	1.9
56.96564	3.6
57.03410	0.9
57.36833	0.7
63.00838	0.8
65.03963	0.9
67.05478	2.2
67.69727	0.7
69.03387	1.1
69.07056	2.0
71.04974	2.8
71.07238	2.0
79.05471	1.4
81.07066	3.9
83.08596	0.9
84.58225	0.8
90.05775	0.7
91.05483	20.6
93.07012	3.2
94.50105	0.7
95.04931	1.1
95.08590	3.0
97.06535	1.7
98.97590	11.5
103.03901	1.2
103.05460	2.7
105.07031	7.0
107.04920	0.9
107.08607	4.4
109.10154	1.0
115.05437	6.4
116.06232	2.7
116.98615	2.0
117.07018	3.8
119.08588	6.1
121.06441	0.9
121.10142	1.9
123.08042	0.8
128.06224	6.9
129.07004	30.4
130.07785	2.5
131.04883	5.9
131.07588	1.8
131.08565	30.2
133.06499	1.5
133.10132	10.9
135.11644	1.3
137.05957	4.0
141.06989	28.2
143.04941	2.1
143.08530	2.1
144.05667	5.4
145.06491	5.2
145.10100	4.0
146.07251	3.3
147.11688	1.0
148.05164	1.2
149.09636	0.9
154.93182	1.4
156.05632	0.8
157.06477	18.0
158.07274	16.4
158.99660	3.4
159.03038	1.1
159.04439	3.5
159.08058	23.1
159.11710	4.5
160.05203	3.3
161.05949	1.1
161.09569	3.7
161.13261	2.5
163.07484	1.7
163.11183	1.0
169.06467	11.0
170.07245	5.6
171.04468	1.2
171.07990	1.4
172.94261	2.0
173.06004	4.3
173.09639	1.6
173.13251	1.4
174.06763	57.5
175.07536	10.0
177.00705	1.2
185.06067	1.0
186.06752	14.3
187.07542	1.2
188.08287	4.3
189.09103	79.0
190.09558	0.8
190.95206	1.0
191.02185	0.9
191.10663	5.6
192.59462	1.1
201.09103	31.2
201.10977	1.8
201.16408	2.9
201.59904	3.2
203.14278	3.2
219.10156	100.0
219.17416	24.0
220.10390	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	8.3
70.02850	0.9
70.98125	9.4
71.95266	1.0
72.08155	0.3
72.96053	0.3
84.04539	0.2
84.96051	0.6
86.09716	1.2
87.14771	0.2
88.99165	2.0
89.71563	0.3
98.97590	100.0
99.97942	0.4
110.97607	0.3
112.99150	0.3
116.98627	24.6
128.98604	4.1
129.02290	0.3
131.00182	3.5
134.99667	3.7
140.00198	0.5
146.99678	3.9
149.01245	1.4
157.10599	0.3
158.99660	11.5
165.00716	1.4
175.11665	0.6
177.00725	32.5
177.04292	0.6
189.00714	2.1
195.01772	10.0
203.14328	0.2
207.01729	1.4
219.01765	4.3
219.03625	0.4
219.05272	0.4
237.02788	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80909	0.5
55.23240	0.4
56.96566	10.8
58.67647	0.5
70.38911	1.8
70.39262	0.6
70.98125	5.8
71.95251	1.1
73.02931	0.5
80.62727	0.4
81.40588	0.5
84.96038	0.7
86.06078	0.5
86.09690	3.1
87.04488	0.8
88.04833	0.6
88.99188	1.0
90.09183	0.5
98.20784	0.5
98.97588	100.0
99.97910	0.8
100.99132	0.6
101.00892	1.2
110.97578	1.4
112.14928	0.5
115.00720	0.9
115.02470	0.4
116.98624	31.0
119.01915	1.2
128.98624	3.3
131.00177	2.1
131.01894	0.8
134.99672	5.3
140.00203	0.7
140.98634	1.1
146.99648	3.3
149.01231	1.4
156.30435	0.4
157.10547	0.7
158.01146	0.6
158.99664	10.1
159.03046	1.1
165.00635	0.5
170.99757	0.7
173.02914	0.5
175.11568	1.2
177.00722	29.1
177.04163	1.1
189.00783	1.9
195.01779	7.8
195.03532	0.7
195.05362	0.6
200.02303	0.6
201.00792	0.6
201.02466	1.2
201.13002	0.5
207.01807	1.2
219.01743	4.8
219.03555	1.0
219.05460	1.1
219.14256	0.6
219.17442	1.7
237.02850	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	218.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01871	0.6
55.05513	0.5
56.05032	0.5
56.96567	12.5
57.03432	2.0
61.02927	1.3
65.14699	0.3
67.05505	0.5
68.05041	0.7
69.03424	2.5
69.07062	1.5
69.97919	1.0
70.06599	3.1
70.98119	8.0
71.04993	4.4
71.95267	1.2
72.04514	0.6
72.08157	1.6
73.02904	1.2
75.74813	0.4
79.05513	0.6
80.45246	0.4
81.07043	1.0
84.04506	1.5
84.08150	1.5
84.96033	0.8
85.02908	1.9
86.06071	35.1
86.09715	1.8
87.04471	40.4
88.07635	13.0
88.99183	2.9
89.10772	0.5
91.05444	0.3
97.02895	0.8
97.06534	4.2
97.99202	0.5
98.06064	2.5
98.09695	0.6
98.97587	100.0
99.04435	0.4
99.08101	1.3
99.97915	0.8
100.07612	3.1
100.99184	0.3
101.00888	1.0
102.05533	0.7
104.07105	1.4
110.09679	2.5
110.97578	1.2
111.04434	0.4
112.99123	0.5
113.01804	0.9
113.03494	1.4
114.05502	0.4
114.09171	2.0
116.98625	36.1
119.01921	1.9
120.08132	0.4
126.09168	0.4
127.03901	0.4
128.98633	3.7
130.08612	0.5
131.00180	2.6
132.02536	0.5
133.03462	0.6
134.00723	0.5
134.99660	7.4
137.05919	0.4
138.09146	3.5
140.00175	1.9
140.99661	0.7
142.01785	1.0
142.08664	1.4
143.01164	0.5
144.10185	1.0
144.98108	0.4
146.08141	0.6
146.99651	4.4
149.01256	1.4
150.25049	0.4
154.01836	0.4
156.10205	66.3
158.01259	3.0
158.08084	0.7
158.99657	5.8
160.52740	0.5
161.01276	0.4
162.99223	0.5
165.00691	2.1
172.02768	1.1
174.11263	80.5
176.02493	0.6
176.04187	2.3
177.00734	25.2
182.01282	2.2
182.11723	0.7
189.00706	1.9
190.03755	0.6
194.05258	4.0
195.01820	8.9
200.02315	3.7
200.12823	11.9
206.02780	0.7
207.01773	1.5
211.21655	0.4
212.06387	0.4
213.01854	0.8
213.05238	0.4
218.03348	1.2
218.05241	2.6
218.13869	19.1
218.17250	4.1
219.01823	2.5
219.07486	0.5
236.04289	0.4
236.06352	2.5
237.02817	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99748	1.0
53.03940	1.7
53.34780	1.0
55.90321	1.0
56.05027	1.2
56.96566	11.4
57.03426	3.1
60.08160	1.6
69.03432	4.8
69.07064	4.5
69.60593	7.2
70.06593	9.2
70.98124	3.4
71.04979	4.7
71.95257	1.2
72.08141	3.8
72.92568	1.1
73.02912	1.2
78.49710	0.9
81.07063	1.6
84.04496	2.7
84.08158	2.1
84.99622	1.0
85.02898	5.9
86.06065	40.8
87.04468	40.9
88.07626	13.3
96.08107	1.3
97.02872	1.6
97.06538	10.5
98.06064	3.3
98.97585	100.0
99.08118	1.3
100.07626	2.5
101.00896	3.7
103.00626	3.0
104.07090	5.9
104.66383	1.0
110.09671	3.6
110.97607	1.7
114.09167	4.7
116.98621	43.0
119.01907	5.2
120.02050	3.1
121.01689	3.9
131.01866	1.0
133.03502	1.4
134.99658	10.4
138.09146	4.1
140.00185	6.3
142.08640	2.1
144.03262	2.1
144.10236	1.1
146.03546	4.1
149.06046	1.3
150.00696	1.7
156.10199	58.1
156.98093	1.1
158.01230	6.5
158.99655	4.1
163.02740	1.8
164.04726	1.2
173.03029	1.1
174.00784	3.0
174.11258	80.1
174.99162	2.8
175.99489	2.9
177.00726	13.4
181.03699	1.1
182.11798	1.1
187.04442	1.2
190.02596	1.3
192.01831	2.9
193.00163	1.3
194.00574	2.0
195.01776	4.3
200.07698	1.3
200.12819	33.1
201.02518	1.8
210.09937	1.4
218.13879	21.4
218.17442	14.9
219.03558	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.9
56.96568	8.5
57.03435	2.3
57.32714	0.8
69.03420	2.8
69.07062	3.8
70.06594	8.0
70.23106	3.1
70.98122	0.8
71.04974	2.4
72.08154	1.1
73.02893	1.3
79.05508	1.1
79.67290	0.8
81.07053	1.9
84.04509	2.6
84.08141	1.6
85.02900	3.8
86.06068	30.7
86.09715	1.5
87.04469	33.0
88.07636	7.6
88.99166	0.8
90.25569	0.8
97.02853	1.1
97.06531	13.2
98.06049	2.1
98.97584	100.0
99.08089	3.1
100.07581	2.2
101.00887	1.1
102.00970	1.0
102.05549	1.8
104.07116	6.7
110.09669	2.6
112.07597	2.1
114.09158	8.2
116.98621	38.1
116.99456	1.8
119.01886	1.2
134.99658	9.0
138.09151	4.8
140.00148	4.3
142.08624	2.7
143.33513	0.9
154.08624	1.1
154.12279	1.1
156.10194	42.1
158.01277	6.8
158.99634	3.7
174.11259	45.8
176.02336	1.9
176.04182	1.0
177.00726	16.3
182.11816	1.9
194.05220	2.3
195.01730	5.6
200.12820	45.5
218.05130	1.1
218.11722	1.2
218.13885	11.1
218.17467	6.9
236.06308	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	7.8
57.03432	2.5
59.47777	0.7
60.08167	1.4
69.03432	2.4
69.07054	3.1
69.49438	4.9
70.06594	12.6
70.98091	1.1
71.04987	1.6
71.95264	1.0
72.08134	1.2
73.02916	1.7
81.07027	1.4
84.04510	1.6
84.08126	1.2
85.02914	7.1
86.06066	13.9
86.09704	0.9
87.04472	16.3
88.07632	2.7
91.39393	0.7
97.02873	1.3
97.06537	9.2
98.09700	0.9
98.97587	100.0
99.08111	1.6
99.97936	0.7
100.07607	0.9
100.11317	0.7
104.07121	5.2
109.99020	0.7
110.09693	1.2
110.97686	0.7
112.07594	0.9
114.09164	6.0
116.98624	37.9
119.01909	1.8
134.99641	8.8
138.09180	1.8
140.00195	5.0
142.08592	1.2
146.03549	0.8
153.00705	0.8
156.10201	15.9
158.01244	5.8
158.99670	3.0
159.03233	0.7
159.06517	1.4
160.20023	0.7
169.06534	0.8
173.02946	1.0
174.11279	17.2
175.99432	1.2
176.02333	1.5
176.03955	0.7
177.00725	16.3
177.02185	1.4
182.11797	1.3
194.00620	1.2
194.05269	1.3
195.01775	5.9
200.02478	0.7
200.12816	31.5
207.91324	0.8
218.05307	1.3
218.11765	1.0
218.13866	6.3
218.17421	5.5
236.06343	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.7
53.76073	1.8
55.01859	2.5
55.05278	2.8
55.05512	36.0
56.96566	15.6
59.04986	7.1
60.04537	3.9
62.48114	2.4
67.05492	6.5
69.03406	7.9
69.07055	2.4
70.06561	2.8
70.43243	7.8
70.98124	11.4
71.04993	4.6
71.45708	2.1
72.08157	14.4
73.02907	3.2
73.34070	2.0
78.54116	1.7
79.05492	3.9
81.07021	2.5
81.53696	1.9
83.04987	50.4
84.96050	2.7
85.02888	2.4
85.06537	5.9
86.06065	43.8
87.04441	6.3
88.99148	4.5
89.06020	16.3
91.05467	4.4
98.97585	23.5
101.06004	31.3
107.08611	5.7
109.02854	2.8
110.97552	3.7
111.04448	100.0
111.08037	2.8
112.07578	8.7
113.05991	9.5
116.98640	11.6
117.06966	2.8
119.01849	3.0
121.06492	5.3
127.07524	12.2
128.06139	2.7
128.98621	3.1
129.05502	15.0
130.08684	13.6
131.04904	4.8
133.10126	3.3
137.05937	4.1
145.03462	3.4
149.05962	21.5
151.07619	2.8
155.07027	100.0
156.03310	2.9
156.98058	3.2
158.99661	5.0
167.07027	4.4
171.07777	2.5
173.05914	4.6
173.08102	86.0
174.99158	6.8
175.07489	3.4
177.00743	2.3
177.05560	10.2
177.06888	2.4
178.59686	9.1
183.58864	9.4
186.04335	5.2
191.05797	2.6
191.08806	4.8
192.59370	7.6
193.00182	5.9
193.12170	2.3
199.07762	2.5
199.09666	7.6
199.60121	4.0
201.10754	18.9
208.11444	10.2
211.07442	2.8
217.00182	2.5
217.10687	76.6
221.09563	2.3
237.02798	2.4
239.07205	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	217.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46447	0.4
55.05512	1.2
56.96567	52.5
70.06590	0.9
70.38059	1.0
70.38445	0.9
70.98125	100.0
71.95260	1.7
72.08160	5.4
73.02937	0.5
74.97617	2.7
83.04986	1.4
84.33476	0.4
86.06062	0.5
88.99163	44.9
89.06031	0.5
97.99200	0.5
98.97589	82.3
101.00866	3.0
101.06047	0.6
102.96847	0.5
103.02461	0.6
107.00200	9.2
110.97579	2.7
111.04469	2.7
112.00747	0.6
115.02426	0.6
116.98624	31.9
119.01921	4.0
124.95465	1.5
126.97005	0.5
127.02449	0.8
128.98604	1.3
131.00163	1.7
131.01932	0.9
133.03561	0.6
134.99660	8.0
137.02936	0.8
140.00185	1.0
140.45334	0.4
142.06245	0.5
142.96527	1.3
145.03484	5.9
147.01295	0.6
149.01225	2.0
153.00578	0.6
155.07025	3.0
156.98071	6.2
158.01350	0.6
163.04504	1.5
171.01357	0.7
172.91759	0.6
173.02963	0.9
173.08084	1.5
174.99152	34.9
183.99643	0.5
189.02422	2.2
191.02272	0.8
192.59103	0.5
193.00218	46.1
194.00659	0.6
198.00757	0.6
207.03461	0.6
210.29312	0.5
211.01244	6.4
216.01662	0.7
217.00183	1.7
217.02026	0.7
217.05641	1.0
217.10635	1.8
217.12723	0.8
235.01198	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68273	0.7
55.05513	17.6
56.96568	57.9
57.03436	0.7
59.11165	0.6
67.05515	1.5
69.03441	1.8
70.06607	1.4
70.88593	0.7
70.98124	100.0
71.55283	1.2
71.95248	1.9
72.08157	50.3
73.02910	1.6
74.97591	4.3
75.36074	0.8
81.07050	0.9
83.04985	24.8
84.08150	1.0
85.02892	1.0
85.06535	1.5
86.06069	3.4
87.04445	1.7
88.32828	0.7
88.99161	47.4
89.02361	0.8
89.06042	6.2
97.02892	1.2
98.97590	82.2
99.04488	1.0
101.00885	1.3
101.06036	10.0
105.07020	1.0
107.00220	10.5
110.97550	2.8
111.04443	42.9
112.00768	0.8
112.07598	1.6
112.99120	0.9
113.06025	3.8
116.98627	39.2
118.08650	1.1
118.37612	0.7
119.01936	1.8
124.95467	1.2
126.05520	0.8
127.07562	3.2
128.98607	1.4
129.03918	0.7
129.05496	6.8
130.08650	1.7
131.00182	2.4
134.99667	10.8
137.05962	2.2
140.98602	1.0
142.96533	1.5
145.01752	0.9
145.03459	1.5
146.99718	0.9
149.01219	2.0
149.05971	1.7
151.03139	0.9
155.07040	43.4
156.98051	4.1
158.01227	1.7
158.99655	2.5
163.02783	0.8
173.08113	34.8
174.99149	27.3
175.04527	1.1
175.99385	1.0
176.05061	0.9
177.00726	1.8
186.04373	1.4
189.02464	1.3
193.00215	45.8
194.00371	1.0
196.04738	0.7
196.06651	0.9
199.09702	3.7
201.10779	1.7
205.05371	0.8
208.11554	1.1
211.01274	6.3
216.01804	1.3
217.00218	2.5
217.07486	1.1
217.10739	29.5
217.15395	2.3
219.01781	0.8
235.01283	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	215.1643
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
50.02575	1.3
53.03938	4.1
55.01877	2.0
55.05266	2.0
55.05514	25.3
56.96557	3.2
57.03429	4.4
57.07078	2.1
59.05016	1.7
61.20494	1.3
65.82147	1.4
67.05503	34.3
67.62231	1.6
69.07067	29.9
70.20944	1.4
71.04988	13.7
71.10838	1.4
71.14848	3.1
74.09707	1.8
74.30320	1.7
79.05491	17.4
81.07059	80.1
83.04998	9.5
83.08620	22.0
84.42763	1.5
85.06550	22.4
85.07034	2.8
91.05476	20.3
93.07050	24.9
95.08607	100.0
97.06533	29.6
97.10168	10.3
98.97607	2.1
98.98431	3.5
99.08080	13.5
99.65501	1.6
101.06056	2.5
105.07030	26.3
107.08607	10.7
109.06499	3.6
109.10142	10.5
111.08086	6.2
113.09665	1.6
115.07568	4.0
117.07051	1.6
117.73907	1.5
119.07816	2.8
119.08595	38.2
121.00670	1.7
121.10150	12.3
123.08062	7.9
127.07547	2.0
131.08548	4.3
132.95865	4.7
133.10126	29.6
135.11688	21.3
137.09613	6.1
137.13260	18.1
139.01579	2.9
145.10072	1.9
149.96188	1.6
150.96898	4.8
151.11095	1.8
155.08495	1.6
161.13266	98.0
163.03911	1.4
165.09108	2.8
179.14320	46.4
189.59242	1.4
191.97189	2.2
197.15350	24.8
209.98326	1.7
215.06911	1.9
215.10742	3.9
215.14304	5.8
215.17839	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	215.1429
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
53.03939	0.7
55.01877	0.5
55.05502	2.1
55.40252	0.4
55.86952	0.4
56.96552	1.0
57.03435	0.8
57.07067	0.6
67.05499	2.4
69.03411	1.1
69.07050	2.0
70.95853	0.5
71.04987	4.0
71.57041	0.8
71.80090	0.4
72.08120	0.5
74.09721	1.1
79.05475	1.7
79.20088	0.5
81.03413	0.8
81.07050	3.2
82.37281	0.4
83.04984	0.8
83.08617	1.4
85.96019	0.4
91.05479	4.8
93.07050	4.0
95.04967	2.8
95.08592	3.3
98.98431	1.7
105.07014	5.0
107.08578	2.5
109.06512	1.9
109.10163	0.8
115.05476	1.1
116.06171	0.5
117.07039	3.2
119.08582	5.6
121.06489	1.4
123.08044	0.9
128.06215	1.5
129.07010	4.3
130.07735	0.7
131.08568	12.4
132.95828	2.3
133.06543	0.6
133.10129	2.5
135.08037	1.8
139.01540	2.6
141.06973	2.1
142.07774	10.6
142.08774	0.4
143.08565	10.2
144.09334	0.6
145.06487	1.6
145.10115	16.0
150.96880	2.4
154.07774	0.7
155.08560	4.2
156.09341	7.5
157.10127	34.1
158.07336	0.8
158.10915	8.6
159.08046	5.7
159.11734	3.4
160.08768	0.6
167.08559	5.8
169.10100	6.9
171.08083	0.6
171.11673	9.5
172.08836	0.9
172.12473	7.0
173.09630	8.9
173.13268	24.1
181.10152	0.7
182.10912	15.5
182.12523	0.9
183.08592	0.8
185.09619	4.0
186.10350	1.4
187.11169	1.8
187.14799	7.9
191.97144	1.6
197.13257	24.6
199.11209	1.2
200.11948	5.8
209.98308	0.6
215.14313	100.0
216.12407	0.7
216.14742	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.6
55.05513	44.6
56.05041	1.9
56.05846	1.6
56.96570	30.4
57.03429	3.3
57.07065	3.0
59.04988	1.5
67.05508	23.4
69.03427	2.6
69.07069	43.4
70.06591	1.9
70.07422	2.0
71.04971	3.5
71.56359	1.8
71.95250	1.9
72.93790	3.2
73.06541	2.3
79.05499	13.7
81.07063	70.4
82.07405	2.8
83.04974	6.3
83.08624	39.7
84.08129	2.4
85.02905	3.0
85.06539	6.4
87.04452	2.0
91.05487	15.0
93.07048	17.9
94.07373	2.0
95.04968	6.2
95.08611	100.0
96.08950	4.4
97.02891	2.9
97.06548	14.5
97.10176	11.5
98.09685	3.6
98.97591	29.7
99.08105	4.6
100.99136	6.9
101.06010	3.3
105.07036	17.4
107.08588	13.6
108.08923	4.7
109.06512	4.7
109.10139	11.5
110.01279	2.0
110.97552	5.0
111.08097	3.0
112.04663	1.6
112.99191	2.3
113.09630	1.7
115.07612	1.8
116.98607	9.6
119.01790	2.3
119.08597	24.1
120.00114	1.6
121.10159	11.0
122.06030	3.0
122.10469	3.7
123.08074	8.1
123.11703	7.3
126.96973	1.6
127.07545	3.0
128.02313	3.4
128.98596	5.5
131.00169	3.4
132.95833	2.3
133.10127	19.4
135.11707	13.1
136.12000	2.7
137.05980	2.1
137.09639	4.7
137.13264	18.7
138.13602	2.3
141.09099	2.1
144.98079	3.8
146.99657	4.7
149.01183	3.1
149.96130	3.0
150.97108	1.5
154.08633	7.7
158.99660	7.6
161.13264	48.8
162.99174	3.0
164.07076	4.8
165.00725	3.9
167.97038	2.1
172.97618	2.3
173.01193	2.0
177.00729	4.7
178.16765	4.9
179.14352	13.1
182.08136	2.2
190.98639	4.7
196.09680	1.8
196.16893	12.7
208.99724	7.7
214.08701	5.1
214.10716	2.9
214.18028	87.1
215.07170	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03939	3.7
53.88243	1.3
54.50917	1.5
55.01872	11.0
55.05509	17.2
56.05024	2.2
56.96558	1.8
57.03177	2.4
57.03434	20.4
57.07062	4.3
59.10641	1.2
61.51627	1.2
65.03919	2.0
67.05504	55.8
69.07066	23.0
69.31042	13.0
71.01352	5.7
71.04984	7.1
78.61180	1.3
79.05495	52.5
79.05964	2.7
81.03404	7.6
81.07058	33.8
83.04975	32.2
83.08610	8.4
85.06532	5.2
87.04459	1.4
91.05469	17.1
93.07040	68.1
95.04950	3.1
95.08601	13.9
97.06532	16.9
97.10148	7.0
99.08086	3.2
105.07026	6.1
107.08593	44.6
109.10160	5.2
111.08064	3.5
111.11695	1.7
117.07006	13.4
119.08585	11.8
121.06545	2.4
121.10149	15.9
125.09642	2.0
129.02020	1.7
129.07001	4.7
130.07765	2.3
131.08569	4.8
133.10143	6.1
135.11688	100.0
137.09659	3.8
142.07739	1.9
143.08575	6.5
145.09055	2.5
145.10120	33.0
149.13228	3.9
153.12752	15.6
157.10129	8.8
163.11200	13.3
171.11687	14.2
181.12238	24.9
182.09694	2.6
185.13181	1.9
208.33694	1.5
213.16434	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	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03939	2.7
55.01861	2.6
55.05316	1.0
55.05510	12.7
56.82972	1.2
57.03435	19.2
57.07064	2.6
60.32801	1.3
65.41973	1.4
67.05504	62.9
69.06729	1.5
69.07065	17.6
70.80270	2.4
71.01349	8.9
71.04987	8.5
71.67999	1.2
79.05020	1.6
79.05489	54.8
81.03418	8.2
81.07049	30.7
83.04972	16.1
83.08602	3.6
85.06527	5.5
91.05484	17.9
93.07043	62.4
95.04952	5.3
95.08594	7.7
97.06528	19.9
97.10178	6.8
97.68472	1.4
99.08057	1.6
105.07024	4.6
107.04890	2.0
107.08587	38.4
109.10165	6.7
111.08046	3.8
117.06995	6.0
119.08577	9.6
121.06485	2.4
121.10146	16.1
130.07793	2.4
133.10089	5.5
135.11688	100.0
137.09595	3.7
143.08505	2.0
145.10112	20.4
149.13188	1.3
149.16774	1.6
153.12685	2.5
157.10112	2.8
163.11177	15.6
166.46625	1.4
171.11664	4.1
176.08621	1.4
181.12233	22.9
213.16473	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	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
50.39506	1.6
53.03932	4.8
54.41634	1.6
55.01867	4.9
55.05267	2.3
55.05512	30.6
56.96550	6.8
57.03437	13.0
57.07070	12.2
62.56276	2.0
65.03933	2.3
65.91776	1.6
67.05506	85.4
68.05824	1.7
69.03417	2.6
69.06721	2.5
69.07069	31.6
70.98120	2.2
71.01038	3.1
71.04981	7.6
73.02881	2.5
79.05070	2.5
79.05495	41.9
81.03412	2.4
81.07055	100.0
83.04976	19.3
83.08631	18.3
85.06544	9.8
88.07607	4.5
88.99149	2.0
91.05486	26.2
93.07046	86.2
95.04955	7.7
95.08054	3.6
95.08602	38.8
97.06532	15.8
97.10149	2.4
98.12227	1.7
99.04433	2.5
99.08076	4.7
105.07031	14.4
107.08591	48.2
109.06498	7.3
109.10139	6.7
111.04443	77.5
111.08073	12.4
113.05989	2.6
113.92319	2.1
117.07038	13.6
119.08572	8.5
121.06499	4.4
121.09348	1.8
121.10153	25.0
122.07192	1.7
123.11679	3.1
125.05998	19.4
127.07516	3.4
129.07031	4.6
131.08582	15.2
133.10143	16.5
135.08070	14.6
135.11702	35.9
139.07466	3.8
141.06921	2.4
142.07776	2.4
143.08565	6.4
145.10132	16.2
147.76990	1.5
149.13264	46.9
153.12704	3.9
155.61102	1.9
157.10152	11.7
159.11688	21.0
163.11174	21.7
171.08060	2.8
171.11736	8.4
177.12749	9.9
181.08929	2.3
181.12230	48.0
190.09270	3.5
195.06467	2.7
195.11938	2.8
195.13783	19.6
199.25780	2.1
213.12907	11.3
213.14743	3.0
213.16464	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	213.1486
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03935	1.4
55.01631	0.6
55.01874	8.8
55.05511	42.8
56.96554	1.2
57.03434	1.1
57.07066	1.6
59.04996	1.9
67.05507	17.6
69.03442	4.4
69.07067	9.1
71.04994	43.9
71.07602	1.1
71.08624	0.6
79.05490	14.4
81.03411	1.3
81.06590	1.1
81.07057	19.6
83.04984	4.4
83.08622	29.8
85.02898	1.3
85.06542	4.2
87.04464	6.8
88.07652	0.6
91.05475	3.4
93.07042	11.5
95.04901	0.6
95.08052	0.8
95.08614	9.3
97.06535	62.6
97.10172	41.3
97.10696	0.5
98.97580	1.7
99.08086	0.6
101.06001	1.0
101.09659	0.9
105.07012	2.3
107.04916	1.0
107.07874	0.9
107.08601	16.3
109.06503	1.1
109.10159	11.1
111.08067	3.6
112.26265	0.6
113.06008	0.8
117.07011	2.5
119.08567	1.4
119.93545	0.6
121.06474	1.2
121.10178	2.9
125.09631	27.6
127.03908	1.4
131.08574	4.0
133.10138	2.5
133.40607	0.5
135.08073	3.6
135.11671	3.8
143.08603	0.6
149.09604	1.8
149.13287	3.7
153.09166	0.9
157.10162	1.1
159.11716	3.6
165.12727	1.0
171.10222	1.0
171.11688	0.9
177.12717	4.9
189.11198	4.6
195.13809	34.4
213.14844	100.0
214.15181	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.01884	4.9
55.05516	16.0
56.96574	3.4
57.03442	15.1
57.07080	3.5
67.05508	82.2
69.03432	2.6
69.07075	29.3
70.08086	9.5
70.98112	2.3
71.04985	8.1
76.48481	1.9
77.62264	2.3
79.05494	44.8
81.03441	3.3
81.07056	100.0
83.04968	15.0
83.08618	20.0
84.46647	2.0
84.47173	2.1
85.06544	6.1
88.07616	3.4
91.05486	27.3
93.07045	76.0
95.04961	5.1
95.08613	28.2
97.06549	12.0
99.08090	3.3
105.07019	10.4
107.08598	38.1
109.06470	3.0
109.10159	3.7
111.08070	8.9
113.09637	2.4
117.07028	14.0
119.08569	5.4
121.10139	22.4
123.11678	2.6
129.06972	2.3
131.08586	11.3
131.46620	2.1
133.10149	14.1
135.08084	3.1
135.11696	21.2
142.07825	2.4
143.08574	4.7
147.11732	2.9
149.13261	58.8
153.80005	2.3
157.10155	6.9
159.11687	24.7
167.31953	2.4
171.11650	5.6
177.12721	12.2
185.13194	2.7
195.12061	3.9
195.13814	16.0
213.12744	7.6
213.16365	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03933	4.6
55.01860	5.9
55.05514	28.5
56.96567	29.0
57.03439	22.7
57.07076	9.5
59.05010	1.6
60.95831	1.7
65.03930	2.5
65.14697	1.4
67.05508	100.0
68.05836	1.8
69.03426	3.0
69.07072	42.0
70.04857	5.5
70.06592	1.6
71.01347	6.0
71.04999	18.3
71.08619	8.2
73.02892	1.7
76.26009	1.3
79.05497	66.9
81.03409	8.5
81.07059	98.8
83.04980	21.5
83.08196	1.9
83.08632	18.6
85.02906	15.6
85.06542	7.5
88.07626	3.2
90.85876	1.4
91.05487	33.5
93.07047	94.1
95.04974	10.3
95.08609	30.6
97.06538	25.3
97.10193	7.6
98.97559	2.8
99.04462	2.5
99.08099	6.9
105.07033	16.8
107.04951	5.3
107.08598	58.5
109.06548	4.2
109.10169	11.4
111.08109	8.3
112.99094	1.9
116.98605	1.6
117.07021	20.8
119.08591	18.9
121.06501	4.8
121.10148	32.6
123.11705	3.4
125.09628	3.7
128.06229	3.4
129.07022	9.1
131.00165	8.1
131.08563	12.6
131.21249	1.4
133.10123	15.0
135.08078	3.3
135.11703	90.4
137.09590	4.3
139.07535	1.8
139.11252	2.7
141.06929	3.0
142.07800	4.1
143.08565	23.0
145.10117	33.4
149.01212	19.2
149.09709	1.7
149.13264	36.4
151.03931	1.5
151.11238	4.0
153.05499	2.1
153.09009	2.0
153.12724	3.7
155.08574	2.4
156.09351	2.6
157.06538	1.7
157.10138	21.9
159.11720	15.6
163.11215	12.3
165.06969	2.4
167.02235	4.2
167.14349	2.3
169.10068	2.8
170.11066	1.6
171.08051	3.2
171.11688	26.3
172.02780	2.9
176.09700	3.2
177.12767	6.6
180.09293	1.6
181.12242	17.9
185.10040	4.5
185.13251	2.8
192.10880	5.0
195.06578	4.1
195.11847	2.6
195.13814	17.3
195.15533	2.2
198.13988	2.1
199.06435	1.7
201.11333	1.6
204.10901	6.3
213.05501	4.8
213.09225	2.9
213.11389	2.7
213.13078	16.4
213.16396	60.2
224.62227	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	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03949	3.4
54.07743	2.6
54.34181	1.9
54.97162	2.2
55.01870	4.3
55.05511	19.8
56.96564	17.2
57.03440	21.4
57.07066	7.7
58.07421	2.5
65.03921	2.8
67.05509	86.3
69.03445	5.7
69.07072	31.1
70.68274	7.0
70.98118	5.6
71.05012	11.5
71.64175	2.2
79.05495	47.2
81.03435	5.2
81.07061	100.0
83.04989	14.8
83.08624	19.2
83.74026	2.4
85.06551	6.7
87.89628	2.1
88.07628	7.8
91.05479	28.6
92.50542	2.3
93.07047	79.6
95.04955	7.4
95.08615	30.7
97.06529	20.2
97.10145	6.3
98.97594	3.0
99.08091	7.3
105.07031	12.8
105.59149	2.3
107.04932	5.3
107.08594	43.6
109.06520	5.7
109.10159	5.3
111.08095	12.3
117.06988	16.0
119.08568	9.3
120.25976	2.5
121.06517	4.9
121.10133	26.3
123.08137	3.0
125.09653	3.7
128.06236	4.4
129.06999	7.1
131.08592	11.5
133.10143	13.3
133.62224	2.1
135.08022	5.0
135.11696	33.3
142.07742	2.5
143.08556	8.1
145.10112	19.0
149.13260	52.6
153.12785	4.9
156.09352	3.1
157.06432	3.5
157.10150	13.8
159.11702	22.8
163.11168	5.1
167.08513	2.4
169.10062	3.2
170.10887	2.6
171.11655	13.8
177.12769	12.2
177.16290	3.3
180.09293	2.7
182.07693	2.9
185.09732	2.9
185.13263	5.8
192.10922	2.9
195.06548	5.7
195.11848	2.4
195.13794	10.3
196.17772	2.6
213.05392	3.5
213.13025	11.4
213.16383	31.6
227.46942	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	212.1646
Annotation	Elaeokanine C
Peak:m/z	Relative Intensity
54.16436	0.3
55.01871	1.1
55.05508	2.9
55.23855	0.3
56.96563	3.8
57.03222	0.3
57.03438	3.3
57.07076	0.4
60.54955	0.4
61.02909	0.5
67.05499	2.9
68.05029	1.0
69.03432	11.1
69.07057	1.7
69.93136	1.6
70.06600	3.3
70.95864	0.4
71.05020	0.5
72.08159	3.5
73.02914	2.3
79.05488	2.7
80.05022	1.9
80.05809	0.7
81.03405	1.8
81.07061	3.0
82.03741	0.8
82.06584	1.1
83.04969	0.5
83.07350	2.0
83.08617	1.5
84.05306	0.6
84.08141	4.4
84.08930	0.6
84.96038	0.6
85.02917	2.7
86.06071	1.0
86.09698	0.5
87.04488	0.4
89.00825	0.5
91.05479	2.2
92.05783	0.6
93.07048	2.5
94.06554	1.3
95.04967	0.9
95.08616	3.9
96.05289	0.4
96.08128	10.5
97.02871	2.4
97.06529	11.7
98.06052	0.8
98.97594	4.9
103.05452	0.7
105.07024	0.9
106.06541	0.7
106.07323	0.4
107.04955	2.3
107.08610	0.9
108.08120	0.8
109.02882	0.7
109.06504	0.9
109.08907	0.9
109.10150	1.0
110.01306	0.7
110.06050	1.2
110.09677	2.0
110.97578	2.2
112.07603	0.5
116.98639	1.9
119.01818	1.4
119.04932	0.7
119.08601	0.8
120.08096	1.1
121.10115	0.5
122.09651	1.2
122.95291	0.3
123.04394	0.6
123.08062	1.1
124.07570	1.1
124.11149	0.3
127.03909	1.1
128.98611	1.9
131.08548	0.7
133.10100	0.4
134.06001	0.8
134.10535	0.4
134.70750	0.4
134.99710	0.5
135.04382	0.5
135.08093	0.7
136.07591	0.9
137.05978	1.4
138.09085	0.6
138.12776	0.6
138.58331	0.6
140.02278	0.6
140.10677	1.0
141.09058	2.1
143.00169	0.4
143.01822	0.4
145.02837	0.4
145.05003	0.4
146.02290	0.8
146.99648	1.0
147.04413	0.4
148.07457	0.6
148.11174	0.5
150.12827	0.4
152.02238	0.5
152.06993	1.7
155.02777	0.6
158.99643	1.1
161.02818	0.8
163.04050	0.4
163.07564	1.1
165.12720	0.4
166.04904	0.4
166.08647	0.8
166.12289	0.6
166.15903	3.4
167.07079	4.7
168.10262	0.6
170.99666	1.3
174.12718	0.5
176.14304	2.1
177.00719	0.9
177.05496	0.9
178.05878	0.4
184.09706	0.6
189.00743	2.1
189.04218	0.5
191.03844	0.6
192.10281	0.4
194.08197	0.9
194.15411	65.6
195.10173	1.3
200.04469	0.4
201.00711	1.0
207.01839	0.4
212.09122	1.7
212.12981	2.6
212.16457	100.0
213.11223	0.5
213.16766	0.7
219.01773	0.7
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	Unknow
Peak:m/z	Relative Intensity
53.03927	4.5
55.01850	7.4
55.05270	2.6
55.05512	35.6
56.96299	3.6
56.96564	53.0
57.03188	2.9
57.03434	30.6
57.07042	6.3
59.05006	10.1
61.02916	1.9
65.03913	2.2
67.05504	42.6
69.03436	13.7
69.07070	40.0
71.04993	71.4
72.54917	1.9
79.05486	33.0
79.96633	2.0
81.03416	37.7
81.07058	60.8
83.04975	23.4
83.08620	28.9
84.08142	10.5
84.96017	8.3
85.02891	4.0
85.06544	16.6
87.04433	4.6
91.05473	33.2
93.07050	47.8
95.04967	31.9
95.08608	65.8
97.06021	2.9
97.06543	31.8
97.10143	6.1
97.99186	17.1
98.09697	2.4
98.21515	6.0
98.97577	2.6
99.04456	100.0
99.08088	12.4
105.07030	37.4
107.04944	6.7
107.08601	48.7
109.06503	16.0
109.09481	4.1
109.10159	49.3
111.04411	4.1
111.08085	12.7
113.06010	3.7
113.09648	14.1
114.09164	2.0
115.07564	23.2
116.00203	7.7
117.06990	3.9
119.01876	2.7
119.04944	2.3
119.07798	3.9
119.08583	45.9
121.06466	4.1
121.10155	28.1
122.03715	2.5
123.04426	5.1
123.07340	1.8
123.08094	15.0
123.10829	3.1
123.11704	50.8
125.09632	20.6
127.07536	4.8
127.11182	2.7
129.07002	7.5
131.08533	6.8
133.06523	2.5
133.10127	46.3
135.04440	2.1
135.08035	4.8
135.11690	87.3
137.05975	26.6
137.09610	18.6
137.13254	3.3
138.41528	2.2
139.11169	7.9
141.09105	4.1
141.12723	7.8
143.99651	2.3
147.08022	4.6
147.11696	21.8
149.09610	7.0
149.13239	10.7
151.03891	4.7
151.07520	5.0
151.11139	7.4
151.14799	6.8
151.30191	1.9
153.12767	17.4
155.07053	4.4
155.08539	4.7
155.10648	4.5
157.10207	10.1
163.97737	2.2
165.05458	2.8
165.09068	3.0
165.12775	9.0
167.07094	14.0
167.10683	15.3
169.10118	2.9
175.11252	16.9
175.14827	52.0
177.55466	2.0
179.07002	7.1
179.10603	2.4
181.08557	3.1
183.08043	2.2
183.11667	4.8
193.05020	3.1
193.08463	4.0
193.12227	30.9
193.15894	24.0
196.12520	2.1
211.05925	6.3
211.07755	4.0
211.09645	5.9
211.11336	4.0
211.13161	16.3
211.14977	6.1
211.16917	72.9
229.27957	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03927	4.5
55.01850	7.4
55.05270	2.6
55.05512	35.6
56.96299	3.6
56.96564	53.0
57.03188	2.9
57.03434	30.6
57.07042	6.3
59.05006	10.1
61.02916	1.9
65.03913	2.2
67.05504	42.6
69.03436	13.7
69.07070	40.0
71.04993	71.4
72.54917	1.9
79.05486	33.0
79.96633	2.0
81.03416	37.7
81.07058	60.8
83.04975	23.4
83.08620	28.9
84.08142	10.5
84.96017	8.3
85.02891	4.0
85.06544	16.6
87.04433	4.6
91.05473	33.2
93.07050	47.8
95.04967	31.9
95.08608	65.8
97.06021	2.9
97.06543	31.8
97.10143	6.1
97.99186	17.1
98.09697	2.4
98.21515	6.0
98.97577	2.6
99.04456	100.0
99.08088	12.4
105.07030	37.4
107.04944	6.7
107.08601	48.7
109.06503	16.0
109.09481	4.1
109.10159	49.3
111.04411	4.1
111.08085	12.7
113.06010	3.7
113.09648	14.1
114.09164	2.0
115.07564	23.2
116.00203	7.7
117.06990	3.9
119.01876	2.7
119.04944	2.3
119.07798	3.9
119.08583	45.9
121.06466	4.1
121.10155	28.1
122.03715	2.5
123.04426	5.1
123.07340	1.8
123.08094	15.0
123.10829	3.1
123.11704	50.8
125.09632	20.6
127.07536	4.8
127.11182	2.7
129.07002	7.5
131.08533	6.8
133.06523	2.5
133.10127	46.3
135.04440	2.1
135.08035	4.8
135.11690	87.3
137.05975	26.6
137.09610	18.6
137.13254	3.3
138.41528	2.2
139.11169	7.9
141.09105	4.1
141.12723	7.8
143.99651	2.3
147.08022	4.6
147.11696	21.8
149.09610	7.0
149.13239	10.7
151.03891	4.7
151.07520	5.0
151.11139	7.4
151.14799	6.8
151.30191	1.9
153.12767	17.4
155.07053	4.4
155.08539	4.7
155.10648	4.5
157.10207	10.1
163.97737	2.2
165.05458	2.8
165.09068	3.0
165.12775	9.0
167.07094	14.0
167.10683	15.3
169.10118	2.9
175.11252	16.9
175.14827	52.0
177.55466	2.0
179.07002	7.1
179.10603	2.4
181.08557	3.1
183.08043	2.2
183.11667	4.8
193.05020	3.1
193.08463	4.0
193.12227	30.9
193.15894	24.0
196.12520	2.1
211.05925	6.3
211.07755	4.0
211.09645	5.9
211.11336	4.0
211.13161	16.3
211.14977	6.1
211.16917	72.9
229.27957	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03948	4.6
55.01870	4.5
55.05513	40.0
56.96564	7.5
57.03432	13.7
59.04984	2.5
59.07841	1.4
60.11498	1.3
60.79514	1.2
63.38373	1.4
63.93686	1.4
67.05504	35.6
69.03438	10.2
69.07075	16.2
70.84206	2.1
70.84527	2.2
71.04994	9.0
74.48636	1.6
79.05063	2.7
79.05496	31.3
81.03421	100.0
81.07060	43.7
83.04485	2.7
83.04984	47.7
83.08618	43.2
84.08136	3.9
85.02908	2.8
85.06544	4.6
91.05492	37.0
93.07043	23.7
95.04967	35.9
95.08609	19.3
97.02888	4.7
97.06531	9.6
97.10194	7.1
97.99208	3.1
98.97569	1.7
99.04447	1.9
99.08086	3.1
102.30750	1.6
102.32165	1.6
103.05463	1.5
105.07029	25.9
107.04947	8.0
107.08595	12.6
109.06483	9.6
109.10184	7.3
111.04450	2.6
111.08072	17.8
113.05980	2.1
115.07579	1.6
117.05100	1.5
117.07024	3.1
119.04926	3.5
119.08586	22.6
121.06517	2.9
121.10139	12.9
123.08096	5.8
123.11685	3.9
124.47061	1.6
125.09612	4.2
127.07595	1.8
129.07019	14.4
131.08578	13.0
133.06477	3.3
133.09232	2.2
133.10138	19.1
135.11685	7.3
137.06003	6.8
137.09590	4.6
142.07767	3.8
145.10117	2.1
147.08061	6.6
147.11688	24.0
149.05991	1.4
149.09633	9.8
149.66052	1.4
151.03914	1.8
151.07588	1.7
151.11206	2.3
157.10123	21.3
159.84108	1.4
165.12788	7.5
167.07053	3.9
175.11183	23.3
175.14868	4.4
183.06508	1.8
193.12247	60.3
211.07738	1.8
211.13266	28.9
212.71481	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	1S-Acetoxy-3-myodesertene
Peak:m/z	Relative Intensity
52.77586	0.6
53.03953	0.9
55.05507	6.3
56.96566	4.5
57.03432	1.6
57.07064	1.6
58.47951	0.6
59.05000	1.7
67.05504	10.5
68.99790	5.9
69.03427	1.6
69.06721	1.0
69.07067	13.9
71.05009	0.9
71.08630	1.1
71.56787	0.9
73.06551	2.9
75.04482	13.4
79.05488	4.5
81.03419	8.1
81.07058	25.3
83.04993	6.4
83.08622	3.2
84.08149	1.8
84.96053	0.8
85.06542	10.4
91.05481	7.2
93.07048	7.1
95.04969	58.6
95.08605	22.2
96.74149	0.5
97.06520	1.6
97.10169	1.3
97.99179	2.0
99.04449	2.9
99.08110	0.8
105.07037	5.2
107.04967	1.1
107.08594	7.9
109.06523	4.7
109.10161	20.3
111.04437	2.1
111.08086	2.3
115.07564	1.3
119.08591	6.3
121.06499	3.2
121.10154	2.2
123.04471	1.7
123.08109	1.5
123.11707	100.0
127.07538	1.0
129.07008	1.0
133.06522	0.9
133.10147	8.7
135.08015	1.0
135.11682	2.3
137.05984	2.6
137.09618	30.0
139.07533	15.4
147.11716	1.2
151.11183	15.5
155.08536	0.7
157.10089	1.2
161.09639	5.4
165.12769	1.4
169.10213	0.7
169.12230	3.4
175.11217	2.2
179.10680	51.7
183.13820	2.5
193.12244	4.8
211.09576	0.9
211.13206	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	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03931	6.1
53.23797	1.4
55.01866	7.4
55.05268	1.9
55.05510	35.1
55.95796	1.8
56.05033	2.3
56.96568	30.7
57.03436	9.5
57.07078	3.0
59.04987	2.1
67.05507	43.6
69.03131	1.7
69.03429	18.9
69.07069	21.4
70.06575	4.3
71.01363	1.6
71.04604	3.1
71.04992	60.6
71.56382	2.1
73.02897	4.6
73.06510	1.6
74.97594	2.1
79.05059	2.8
79.05492	40.2
81.03419	65.0
81.06592	3.2
81.07056	53.3
83.04984	37.7
83.08619	26.8
84.08150	12.9
84.96023	6.7
85.02905	10.7
85.06535	9.7
87.04457	5.7
88.05166	1.8
91.05482	74.9
92.05779	2.0
93.07042	31.2
95.04964	37.5
95.08606	20.7
97.02879	5.7
97.06535	11.2
97.10166	6.9
97.99204	7.9
98.97582	13.8
99.04440	7.1
99.08079	5.8
103.05457	3.4
103.16392	1.5
104.18499	1.4
105.07033	46.9
107.04954	7.9
107.08599	20.9
109.02851	2.6
109.06530	13.3
109.10139	10.9
110.97507	2.4
111.04417	4.6
111.08086	13.6
112.95063	1.5
113.05980	4.4
115.05462	2.9
116.00225	3.9
116.98602	3.5
117.06998	3.5
119.01829	2.4
119.04907	3.1
119.08582	31.0
121.06506	6.6
121.10160	14.4
123.04417	4.9
123.08036	7.0
123.11715	2.7
125.05966	4.5
125.09608	7.0
127.07497	2.0
128.98619	2.0
129.06995	12.4
131.08568	17.8
133.06523	8.3
133.10132	100.0
134.99669	1.6
135.07991	3.8
135.11670	4.5
137.05981	13.6
137.09596	6.4
142.07780	3.2
145.10100	3.1
146.99658	1.6
147.08052	11.3
147.11682	39.8
149.02220	2.0
149.05986	3.7
149.09641	16.5
149.13310	3.8
151.03908	3.8
151.07492	5.3
151.11189	26.8
152.02299	1.5
153.01773	3.2
153.06815	1.5
155.08522	1.9
157.10110	14.3
158.99632	3.8
161.02980	1.7
165.09090	3.3
165.12738	10.6
165.34315	1.7
167.07071	14.2
167.16252	4.8
169.12160	1.7
174.60353	2.7
175.11194	44.1
175.14821	2.5
177.00696	3.9
177.05464	1.9
179.03348	4.7
179.06898	2.7
181.08629	3.9
189.00699	2.0
193.09656	3.2
193.12245	67.8
200.07843	2.6
202.10175	2.4
211.06004	4.8
211.07721	3.1
211.09476	4.0
211.13257	34.2
211.14912	2.1
211.16824	1.9
211.18855	4.5
222.14638	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03931	4.7
53.84683	1.1
55.01866	6.7
55.05511	36.2
56.96573	10.5
57.03443	8.8
57.07058	1.7
59.05008	2.0
63.61642	1.1
65.03917	1.5
67.05172	2.2
67.05505	32.2
69.03437	9.9
69.07072	13.0
69.89333	6.8
71.04982	5.9
79.05496	30.3
81.03420	100.0
81.07059	40.8
83.04984	52.5
83.08140	2.4
83.08621	35.6
84.08164	1.7
84.96045	2.3
85.06537	4.0
87.04424	1.6
91.04974	2.3
91.05486	34.1
93.07040	24.5
95.04373	1.9
95.04966	33.8
95.08606	14.8
97.02868	3.9
97.06517	6.1
97.10186	9.3
97.99168	5.6
98.21407	1.8
99.04449	1.7
99.08074	2.4
102.93287	1.3
105.06387	2.2
105.07040	28.1
107.04940	7.7
107.08593	16.2
109.06522	9.3
109.10156	5.7
111.04436	4.6
111.08075	16.9
113.06037	1.9
117.07033	1.4
119.04897	1.9
119.08588	23.3
121.06515	10.1
121.10141	21.0
123.04395	2.6
123.08063	5.0
123.11678	7.5
125.09621	3.3
128.06223	1.5
129.07021	12.0
131.08580	15.0
133.06482	2.7
133.10132	22.5
137.06001	2.1
137.09584	5.0
142.07787	4.0
142.09192	1.3
145.10115	2.6
147.08025	3.6
147.11693	17.5
149.09587	7.2
151.11197	11.7
157.10139	17.5
160.35007	1.2
161.09610	5.2
165.05609	1.6
165.12730	4.7
169.10165	3.0
175.11179	22.4
179.10681	4.1
193.12245	59.9
195.15381	1.6
209.30539	1.5
211.11305	1.5
211.13240	32.1
211.14932	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	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.67315	0.7
53.03942	2.0
55.01628	1.0
55.01877	19.4
55.05268	1.0
55.05516	18.9
56.96579	3.8
57.03441	5.5
57.07065	2.4
59.04984	1.1
65.03930	1.0
67.05508	40.0
69.03421	2.6
69.07072	22.3
69.38164	1.2
69.38566	5.4
71.04997	6.2
79.05497	24.0
81.03417	11.5
81.07060	100.0
83.04989	13.6
83.08623	15.0
84.08144	2.0
85.02905	1.7
85.06539	7.1
91.05484	41.4
93.07046	20.9
95.04973	12.6
95.08613	29.7
97.02922	1.0
97.06535	10.5
97.10163	1.3
97.32993	1.0
97.99194	2.2
99.04475	1.4
99.08092	4.5
105.07038	40.5
107.04963	2.8
107.08599	13.7
109.06525	11.0
109.10168	3.8
111.04436	1.7
111.08112	2.7
113.06020	3.0
115.05439	1.2
117.07014	1.5
119.08590	34.6
121.10146	24.3
123.08060	7.8
123.11714	29.6
125.09651	1.4
127.07563	2.6
128.06151	1.0
129.07027	7.5
131.08582	6.5
133.06491	1.2
133.10138	18.2
135.08052	2.3
135.11694	3.4
135.44524	0.7
137.06035	1.5
137.09592	2.4
137.13293	2.7
141.09105	0.8
142.07767	0.9
142.39078	0.8
145.10071	1.0
147.11697	64.3
149.09631	3.1
151.07611	1.2
151.11206	3.5
157.10143	9.8
165.12766	15.1
175.11212	11.0
175.14842	1.7
193.12256	11.9
193.16008	1.5
196.12343	0.8
211.13187	7.4
211.15027	1.7
211.16998	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	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.02379	1.2
53.03931	3.9
55.01871	4.9
55.05512	34.5
57.03443	9.8
59.04999	2.1
65.03926	1.1
65.91611	0.8
67.05511	25.5
69.03431	9.0
69.07065	8.8
69.76807	2.0
69.77223	3.4
71.04990	3.3
72.63416	0.8
77.03914	1.0
78.52731	0.9
79.05494	30.4
81.03419	100.0
81.07057	29.0
83.04982	44.7
83.08620	36.2
83.09122	2.1
85.02866	1.2
85.06551	4.4
88.90488	0.9
91.05486	30.4
93.07047	18.1
95.04367	1.8
95.04968	30.7
95.08148	0.9
95.08610	10.3
97.02880	5.3
97.06531	4.6
97.10179	6.6
98.21400	2.0
99.08070	2.1
100.12460	1.0
105.07033	22.0
107.04959	6.8
107.08603	9.6
109.06512	4.6
109.10126	2.2
111.04371	2.2
111.08080	15.3
113.05994	1.5
115.05405	1.2
119.04918	1.1
119.07794	1.8
119.08583	18.8
121.06473	1.6
121.10164	7.5
123.08064	3.4
125.09640	1.6
129.07011	10.5
131.08571	13.2
133.06477	4.2
133.10139	11.1
134.17140	1.0
137.09592	2.0
142.07799	2.6
145.10112	1.7
147.08041	4.2
147.11702	15.5
149.09648	9.3
157.10141	17.6
163.11157	1.5
165.12740	4.4
166.32405	1.0
175.09770	1.6
175.11192	21.8
193.12248	51.3
211.13286	29.1
211.15271	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	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03940	5.7
55.01867	4.7
55.05513	36.3
56.96554	2.8
57.03439	11.2
65.03930	1.4
67.05508	28.1
69.03427	10.1
69.07059	10.2
70.51717	3.5
71.04986	3.9
79.05495	29.7
79.95464	1.4
81.03419	100.0
81.07059	35.2
83.04977	51.0
83.08619	36.8
83.08993	0.8
83.09111	1.6
85.02894	1.5
85.05818	1.4
85.06524	3.2
91.05484	32.5
93.07043	16.8
95.04972	34.7
95.08604	12.8
97.02898	4.0
97.06522	4.3
97.10184	9.1
99.04473	1.4
99.08063	2.6
101.05961	1.4
105.07032	21.9
107.04929	6.5
107.08589	8.8
109.06511	8.0
109.10183	2.9
111.04416	2.7
111.08077	15.6
113.14142	1.4
115.05462	2.7
115.93063	1.4
117.06991	2.4
119.04949	2.5
119.08581	22.1
121.06477	1.9
121.10137	8.8
123.08071	4.6
125.09684	2.4
129.07045	12.2
131.08530	14.1
133.06456	4.0
133.10149	10.8
137.09552	1.9
142.07800	4.1
147.08041	2.4
147.11691	15.9
149.09605	7.7
157.10132	17.9
165.12723	4.9
175.11182	19.6
193.12245	52.6
211.13283	30.7
211.15260	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03937	2.7
55.01870	7.8
55.05274	1.4
55.05511	18.0
56.96565	20.1
57.03437	6.7
57.07067	2.0
65.03956	1.8
67.05504	79.9
69.03429	6.2
69.06778	1.2
69.07072	13.7
71.04980	6.5
73.06556	2.2
79.05492	25.5
81.03423	12.2
81.07056	68.4
82.48292	1.3
83.04984	24.3
83.08610	7.0
84.08160	2.9
84.96018	3.8
85.06546	11.8
91.05481	61.7
92.98598	1.4
93.07047	28.6
94.15279	1.3
95.04967	13.1
95.08617	13.6
97.02884	2.3
97.06532	5.9
97.10128	1.6
97.99180	7.6
98.98509	2.2
99.04480	1.7
99.08086	4.0
105.07032	53.6
107.04951	3.3
107.08595	39.8
109.02831	1.3
109.06527	10.0
109.10156	67.2
111.04456	2.1
111.08042	2.6
116.00196	4.3
117.07022	3.2
119.08584	20.0
121.10129	2.9
123.08088	1.9
123.11694	15.0
127.07477	2.2
129.07016	2.0
131.08563	4.7
133.10130	100.0
135.11700	4.6
137.06009	3.6
137.09650	2.0
141.09134	1.9
143.08551	2.4
147.11700	5.4
149.09596	1.8
151.03896	2.4
151.11176	37.4
155.08577	2.4
157.10132	4.0
161.09641	7.8
165.12766	2.3
169.10059	2.5
175.11267	2.7
175.14835	1.8
179.10686	21.1
183.13690	1.4
193.12225	7.7
193.15697	1.4
196.12579	1.8
211.13184	2.1
211.14835	4.2
211.16850	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.32514	1.0
53.03938	3.8
55.01867	5.3
55.05513	41.6
55.05782	2.0
56.96577	8.4
57.03442	6.8
65.42889	1.4
66.65398	1.2
67.05177	2.2
67.05506	32.1
69.03436	9.9
69.07064	11.7
69.42591	10.7
71.04977	5.8
79.05493	34.9
81.03419	100.0
81.07056	39.8
82.57787	1.3
83.04984	46.8
83.08620	37.1
84.96028	2.7
85.06530	3.2
91.05480	41.2
93.07047	16.2
95.04971	44.1
95.08605	16.5
95.37819	1.2
97.02891	4.5
97.06524	5.0
97.10164	8.3
97.99155	2.2
98.97590	2.2
99.08118	1.5
105.07031	26.8
105.82742	1.3
107.04967	5.8
107.08598	10.4
109.06522	8.6
109.10136	4.4
111.04436	4.5
111.08086	17.5
113.06030	2.3
115.05495	1.3
117.06995	1.9
119.08600	22.7
121.06448	1.8
121.10138	10.1
123.08039	3.4
123.11661	2.4
125.09599	2.4
129.07021	15.4
129.07928	2.2
131.08571	12.9
133.06508	3.4
133.10146	19.4
135.08060	4.2
135.11729	1.7
137.09619	3.5
140.34119	1.3
141.06906	1.8
142.07796	2.9
145.10117	2.0
147.08041	3.0
147.11681	21.2
149.09642	8.2
151.11177	4.3
155.08490	1.4
157.10141	16.9
165.12819	6.2
169.10080	1.4
175.11189	24.7
178.58447	1.3
193.12245	58.7
201.06177	1.2
211.13263	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
55.01880	8.7
55.05515	20.8
56.96294	1.7
56.96566	25.1
57.03441	8.0
57.07067	1.2
59.05000	2.2
65.03929	2.5
67.05508	81.3
67.20451	1.3
69.03422	6.8
69.07071	15.0
69.85193	6.2
70.28619	1.2
71.05005	7.3
73.06556	1.7
79.05058	2.2
79.05492	26.1
81.03419	13.6
81.07061	70.4
83.04985	28.2
83.08618	7.6
84.08141	5.0
84.96031	4.1
85.06551	11.9
91.05483	59.6
93.07050	26.7
95.04976	17.5
95.08604	14.7
97.02864	1.6
97.06525	5.9
97.99179	9.6
98.21391	2.7
98.98459	3.2
99.04447	1.4
99.08090	4.6
105.06307	1.7
105.07034	55.1
107.04935	4.1
107.08595	41.1
109.06543	9.4
109.10162	70.5
111.04468	2.4
111.08074	3.1
113.06010	2.3
116.00204	3.7
117.07018	4.1
119.08594	19.1
121.06535	1.4
121.10117	5.1
123.08069	3.1
123.11717	15.5
127.07516	2.3
129.07014	2.7
131.08571	6.3
133.10136	100.0
135.08041	2.1
135.11710	3.0
136.07478	1.4
137.09679	3.0
141.09067	1.4
143.08586	2.5
143.99747	1.5
147.11694	6.3
151.11183	39.7
157.10112	4.7
157.50464	1.3
161.09717	8.3
165.09068	1.7
165.12787	2.8
169.10074	3.4
175.11235	6.3
175.14833	1.8
179.10683	18.5
183.11859	1.4
183.13699	2.0
193.05002	1.1
193.10571	1.8
193.12238	12.5
211.03961	1.5
211.07698	1.9
211.11389	1.6
211.13034	6.4
211.14908	5.7
211.16792	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45888	0.6
53.03964	1.3
55.01879	2.0
55.05515	11.8
56.96570	10.9
57.03440	100.0
57.07080	1.1
59.05006	1.1
65.03943	1.3
67.05510	11.9
69.03429	4.3
69.07070	5.8
70.06604	1.2
70.14564	2.2
71.04996	3.9
73.02927	1.5
73.69221	0.6
79.05497	12.5
81.03422	28.5
81.07063	15.0
83.04986	13.0
83.08620	9.4
84.08137	3.7
84.96034	2.3
85.02909	1.5
85.06519	1.5
91.05490	12.2
93.07039	8.5
95.04969	13.6
95.08614	7.2
97.02892	1.7
97.06541	4.6
97.10191	3.0
97.18707	0.7
97.99185	4.2
98.20840	0.8
98.97622	2.0
99.04483	2.0
99.08110	2.2
105.07033	11.1
105.07662	0.7
107.04999	2.8
107.08597	5.9
108.99754	0.6
109.02930	0.9
109.06521	3.3
109.10148	4.2
111.04459	1.2
111.08089	4.4
113.05976	0.8
115.05447	1.1
115.07596	1.0
116.00244	1.5
117.07018	1.2
119.01907	1.1
119.04973	1.7
119.08588	8.2
121.06561	1.8
121.10145	5.0
123.04462	4.7
123.08110	3.0
123.11747	2.9
123.26110	0.7
125.09637	1.5
129.07014	4.1
131.08589	4.6
133.06522	1.8
133.10138	8.5
135.08049	0.8
135.11716	4.5
137.04297	2.0
137.05977	5.5
137.09663	2.9
139.11211	0.8
140.04716	1.5
142.07854	1.1
143.01883	0.8
147.04570	1.0
147.08113	1.5
147.11694	7.1
149.06035	1.6
149.09636	3.9
151.07602	2.2
151.11250	1.4
152.07146	1.1
155.01663	1.4
155.07068	2.9
157.10109	4.1
161.03056	0.7
165.03767	2.4
165.05737	0.6
165.09143	1.1
165.12794	2.3
167.05727	1.0
167.07071	5.4
167.10730	1.8
169.10197	1.0
175.11215	7.6
175.14874	2.6
179.07013	3.9
181.08650	1.1
183.06654	0.8
183.11774	1.1
193.08624	1.4
193.12263	15.9
193.15909	1.8
211.05978	0.7
211.07735	1.3
211.09615	14.2
211.11473	1.5
211.13165	8.8
211.14688	1.0
211.16940	1.9
217.32928	0.7
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
53.03931	1.7
53.95417	0.9
54.55087	0.9
55.01859	2.7
55.05514	6.0
56.96550	1.0
57.03425	1.6
57.07068	1.8
57.81953	0.8
63.53792	0.8
65.03939	1.5
67.05510	6.0
69.03432	8.1
69.07080	5.3
70.84332	3.1
71.04990	2.0
76.30952	0.9
79.05493	12.8
81.03404	3.2
81.07059	23.2
83.04961	3.9
83.07767	1.0
83.08598	2.7
91.05488	10.8
93.07031	8.3
94.09545	0.9
95.05001	4.4
95.08614	5.6
97.02901	1.3
97.06522	3.3
103.05468	1.0
105.07031	11.7
106.04210	2.0
107.04933	2.3
107.08598	36.2
109.06509	17.9
109.10161	10.2
111.04482	1.6
111.08064	1.9
115.05465	3.5
115.07574	0.9
117.07015	5.3
119.08590	5.2
121.06496	4.0
121.09322	1.7
121.10145	22.5
122.07316	6.1
123.08092	4.4
123.11702	2.2
125.09642	1.3
131.08591	5.3
133.10135	100.0
135.08058	24.5
135.11676	3.7
137.09619	74.9
143.31804	1.0
145.10109	4.0
147.11642	2.1
149.05933	2.9
149.09653	1.6
149.13266	15.6
151.10011	1.2
151.11093	4.3
153.09111	1.7
163.11192	1.7
163.14816	4.1
167.14261	1.2
173.13254	8.6
177.05466	1.7
191.10632	1.1
191.14320	10.3
209.08058	1.4
209.11694	3.2
209.15356	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.73473	1.6
55.01842	1.7
55.05515	30.6
57.03429	2.1
57.07070	4.8
59.05002	2.5
67.05504	10.2
69.03426	4.6
69.07063	6.6
70.20436	7.8
70.20851	3.2
71.04983	3.3
79.05495	9.4
80.31832	2.0
81.07063	21.5
83.04984	75.1
83.08642	13.7
85.06545	4.3
91.05475	7.6
91.37909	1.8
93.07046	15.6
93.69939	1.7
95.04979	35.4
95.08604	20.7
97.06533	23.8
97.10175	2.8
98.21395	2.6
99.04463	9.0
105.07034	9.5
107.08609	24.4
109.06522	100.0
109.10159	23.3
111.08077	7.3
113.09652	4.2
119.08589	5.2
121.06509	2.5
121.10153	21.8
123.08095	10.4
123.11694	5.5
125.09657	6.9
127.07562	2.1
128.33063	1.8
131.08560	14.7
133.10132	30.2
135.08038	18.4
135.11702	2.8
142.40378	1.9
145.10123	6.6
147.11667	2.6
149.09645	5.0
149.13309	13.5
150.09961	2.4
151.11206	13.5
153.09116	25.0
163.14844	3.7
167.14308	18.7
173.13260	21.8
191.14316	22.6
206.78897	2.0
209.11794	1.8
209.15422	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03955	0.5
55.01865	0.8
55.05508	1.0
56.45869	0.3
57.07076	3.6
67.05500	4.0
69.03427	0.9
69.07065	1.9
71.04987	2.6
71.35907	0.5
75.21458	0.3
79.05494	3.3
81.03404	0.4
81.07065	4.1
83.04984	0.8
83.08624	1.1
84.90679	0.3
85.02912	1.6
85.06544	1.1
88.66932	0.3
91.05484	3.3
93.07049	3.0
93.53105	0.3
95.04974	3.8
95.08607	3.8
95.09184	0.4
97.06533	1.2
99.04444	0.4
99.08102	0.4
105.07037	3.4
106.04150	0.3
107.08601	5.8
109.06518	100.0
109.10158	11.4
111.08074	1.3
115.05405	0.6
117.07037	1.2
119.08585	1.3
121.06511	1.0
121.10135	3.2
123.08076	7.7
123.11658	0.5
125.09565	0.6
129.07010	0.5
131.08580	4.8
133.10143	3.5
135.08055	23.1
135.11707	0.6
139.11104	0.9
143.08577	0.4
145.10114	1.9
147.08032	0.7
147.11726	1.5
148.08841	0.5
149.09636	2.9
149.13257	1.4
150.10443	1.4
151.11203	3.3
153.09096	3.9
158.10938	1.0
161.09584	0.7
162.10344	0.4
163.11285	0.5
163.14801	0.6
165.95390	0.3
173.13269	6.2
176.12056	0.5
177.05443	0.6
188.42470	0.3
191.14308	23.9
209.11803	0.4
209.15352	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	209.1536
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
52.40918	1.6
53.03934	3.2
53.09042	1.6
55.05511	83.0
57.03426	3.0
57.07053	2.5
59.04974	3.2
67.05507	10.8
69.03439	9.1
69.07069	10.4
70.94969	2.1
70.95286	2.4
71.04975	5.2
79.05498	8.6
79.72207	1.5
81.07054	19.8
83.04981	99.3
83.08618	48.4
85.06522	3.4
88.52890	1.7
91.05466	6.7
93.07042	13.5
95.04965	23.7
95.08611	15.7
97.06541	8.8
97.10163	8.8
98.66447	1.6
99.04432	3.6
99.08060	1.8
100.60327	1.5
105.07018	7.1
107.08588	33.4
109.06518	17.2
109.10160	32.4
111.04422	2.5
111.08086	11.6
113.05983	1.7
113.09594	2.0
119.08618	2.0
121.06499	2.2
121.10139	15.0
123.08106	3.0
123.11696	10.7
125.09631	14.3
131.08542	6.9
133.10141	15.9
135.08026	5.4
135.11674	4.9
137.09583	2.8
139.11211	2.5
143.08495	2.1
145.06371	1.4
145.10095	5.0
147.11664	2.8
149.09593	5.5
149.13281	14.6
151.11186	71.6
153.09138	9.6
163.11168	4.9
163.14766	4.5
167.10670	3.0
167.14320	100.0
173.13249	9.9
181.54555	1.6
191.10637	4.5
191.14339	21.4
198.97676	1.5
209.11975	3.7
209.15363	54.8
213.53651	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
50.60253	2.8
51.00356	2.5
52.86455	2.2
54.49629	2.7
54.49900	2.3
55.01860	3.3
55.05514	90.6
57.07048	5.0
58.87360	2.7
59.04985	5.0
61.04676	2.3
67.05494	8.9
69.03428	5.1
69.07050	6.4
69.68035	13.4
71.04980	4.3
79.05499	6.4
81.07054	18.6
83.04981	87.5
83.08624	51.4
91.05462	3.5
93.07045	16.5
95.04967	17.9
95.08622	13.6
97.06518	16.0
97.10170	12.6
99.08143	3.6
105.07023	6.0
107.08067	2.4
107.08608	24.2
109.06517	32.9
109.10159	30.2
111.08083	12.5
119.08553	3.4
121.10103	13.5
123.08029	4.3
123.11688	11.2
125.09657	14.9
131.08585	4.2
132.80032	2.7
133.10138	20.6
135.08043	6.4
146.76375	2.6
147.11647	3.5
149.13255	11.9
151.11188	61.6
153.09096	10.6
167.14328	100.0
173.13246	9.4
176.85486	2.6
191.14290	10.1
209.15385	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03941	6.1
55.01866	4.3
55.05512	92.0
56.96558	3.5
57.03425	3.4
59.04985	4.4
59.74852	1.9
64.42133	2.1
65.03910	3.6
67.05505	17.0
69.03417	7.1
69.07069	15.1
70.84742	2.0
70.96465	4.6
71.04977	6.6
79.05491	11.7
81.07063	21.5
83.04982	100.0
83.08148	3.4
83.08619	50.1
85.02897	2.6
85.06540	3.5
91.05475	15.1
93.07043	35.2
95.04968	82.2
95.08609	18.3
95.49297	2.0
97.02876	4.9
97.06530	19.0
97.10165	13.6
98.97587	8.7
99.04470	16.7
99.08073	4.6
103.05405	4.3
105.07036	14.4
106.04165	8.0
107.04942	3.2
107.08596	54.6
109.06525	37.9
109.10158	35.1
109.13795	2.2
111.08118	13.5
116.98610	2.5
117.07002	2.4
119.08563	5.8
121.06502	11.0
121.10147	90.2
123.08061	5.7
123.11708	16.3
123.97287	2.1
125.05972	3.6
125.09660	17.8
131.08572	10.3
133.10152	21.0
135.08055	8.7
135.11639	3.2
137.09596	2.9
145.10109	3.4
149.05997	8.1
149.09630	7.6
149.13316	14.4
151.11189	59.4
153.09103	29.7
158.99629	4.3
163.14832	18.1
167.14320	96.1
173.13293	12.8
177.05489	8.0
191.14294	13.3
209.08055	7.7
209.15372	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03728	1.2
53.03944	11.5
55.01872	16.2
55.05512	44.0
56.96546	2.4
56.97537	1.2
57.03440	10.1
57.07082	5.6
59.04995	2.2
65.03940	5.4
67.05505	57.7
69.03421	17.0
69.06728	2.0
69.07072	26.1
69.51620	1.8
69.52025	5.9
71.05000	14.5
73.02890	3.3
74.05226	1.1
76.76439	1.3
77.03911	2.2
79.05492	74.7
81.03420	17.7
81.07058	70.1
83.04986	22.9
83.08151	1.8
83.08624	24.5
85.02901	1.7
85.06532	6.6
91.05483	33.7
93.03403	1.5
93.07045	94.9
95.04375	2.4
95.04974	39.9
95.08611	100.0
97.02892	7.9
97.06530	17.0
97.10154	4.0
99.04453	18.4
99.08067	4.2
103.05459	5.7
105.04513	2.4
105.07034	36.0
106.04164	5.0
107.04958	24.9
107.08598	91.6
109.06522	58.8
109.09464	1.9
109.10162	20.2
111.04443	5.2
111.08078	9.2
113.05976	3.4
113.09691	1.7
115.05438	2.4
117.03491	2.0
117.07021	26.4
119.06074	1.2
119.07712	1.2
119.08576	24.1
120.05645	1.4
121.06509	27.7
121.10143	47.0
123.04425	2.4
123.08109	9.6
123.11691	5.3
125.05994	8.2
125.09626	7.4
127.07545	1.7
128.06247	1.5
129.06984	3.6
130.07806	5.5
131.04901	3.4
131.08578	11.3
133.10135	16.3
135.08060	24.5
135.11694	79.7
137.09605	3.5
139.07539	3.7
139.11183	1.8
143.08524	4.6
145.06497	4.1
145.10120	65.1
147.08058	1.2
147.11722	6.1
148.08746	1.5
149.02330	1.8
149.05971	10.7
149.09615	13.5
149.13248	10.4
151.11179	45.0
153.05440	1.6
153.09096	9.6
153.12733	3.2
155.08560	4.0
163.11180	96.4
163.14847	6.2
165.12767	10.5
167.07095	1.8
167.14369	8.1
173.09627	8.8
173.13258	15.2
177.05455	7.1
181.08575	1.6
181.12244	6.1
191.10698	13.7
191.12444	2.0
191.14293	30.1
192.36093	1.2
209.04413	2.6
209.06274	1.6
209.08028	3.6
209.09895	2.2
209.11757	10.2
209.13466	2.4
209.15378	22.5
227.12813	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	209.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.7
53.43657	1.0
55.01624	1.5
55.01870	18.9
55.05511	38.5
56.96563	1.9
57.03436	9.9
57.07071	6.1
59.05000	2.4
65.03941	5.9
67.05503	55.3
69.03431	15.5
69.07070	26.2
70.19099	2.3
70.19489	1.7
70.42352	1.0
71.01352	0.9
71.04998	14.8
73.02911	2.8
77.03914	2.2
78.04704	1.0
79.05490	67.1
81.03419	15.7
81.07056	61.1
83.04980	23.0
83.08136	2.0
83.08617	24.7
85.02905	3.0
85.06542	4.6
91.05479	34.9
93.03403	3.0
93.07042	93.7
95.04357	2.2
95.04971	37.6
95.08605	100.0
97.02895	9.0
97.06525	16.2
97.10170	2.1
98.97619	1.3
99.04456	16.8
99.08105	3.4
103.05456	5.6
105.04500	1.4
105.07032	33.8
106.04132	5.2
106.82666	1.0
107.04420	0.7
107.04954	27.6
107.08592	91.9
109.02865	1.6
109.06518	48.2
109.10155	18.7
110.09576	1.1
111.04447	5.5
111.08054	8.9
113.06020	3.2
113.09661	1.6
115.05476	3.0
116.06245	1.4
117.07018	26.0
119.06129	1.6
119.08582	25.9
121.06503	26.7
121.10142	44.4
123.04485	1.3
123.08085	7.9
123.11703	4.3
125.05984	7.7
125.09620	6.6
129.07002	2.8
130.07797	5.7
131.04933	2.3
131.08583	11.6
133.09236	1.7
133.10136	16.8
135.08063	23.3
135.11688	80.3
137.05965	1.5
137.09628	6.2
139.07529	4.9
139.11244	2.2
143.08582	3.4
145.02803	1.7
145.06447	3.9
145.10121	63.5
146.48242	1.1
147.08023	1.6
147.11693	6.1
149.02492	1.1
149.05988	9.3
149.09615	15.0
149.13246	12.9
151.09958	2.1
151.11182	36.0
153.05449	1.6
153.07039	1.3
153.09102	9.2
153.12712	2.8
155.08528	4.9
158.10902	2.1
163.03972	1.3
163.11179	85.6
163.14792	6.6
165.09044	1.5
165.12749	9.6
167.07043	1.3
167.14259	7.1
173.09650	8.3
173.13260	11.9
177.05493	6.3
181.08597	1.5
181.12239	6.3
191.10698	8.6
191.14305	33.4
209.04417	1.9
209.08116	4.2
209.11761	9.4
209.13438	2.2
209.15332	20.8
209.48170	0.9
227.12788	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	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03946	1.4
55.01862	4.5
55.05514	6.9
57.03425	3.6
65.03941	1.7
66.29028	0.9
67.05511	16.4
69.03430	1.6
69.07076	9.0
70.82667	2.2
71.04987	19.6
77.03944	1.2
79.05494	39.1
81.07055	8.9
83.04982	10.8
85.06539	4.4
91.05484	21.8
93.06474	2.2
93.07042	31.5
95.04969	22.6
95.08612	2.0
97.06530	5.7
99.04449	2.9
103.05453	1.6
105.04530	1.7
105.07031	27.5
107.04953	26.2
107.08597	40.2
109.02888	2.4
109.06509	7.4
109.10153	2.1
111.04438	8.8
116.06224	3.2
117.07008	8.4
119.08567	13.7
121.06503	25.2
121.09320	2.4
121.10140	27.9
123.04427	4.6
123.08115	1.5
125.05991	9.5
125.09658	1.1
129.07005	6.2
130.07762	1.3
131.08568	89.0
133.10149	3.6
135.04414	1.6
135.08031	3.0
135.11703	5.7
139.07547	1.7
141.05492	2.6
143.08559	1.8
145.06529	2.9
145.10129	45.2
147.08055	9.2
147.11708	2.5
149.05972	4.9
149.09622	100.0
151.07521	2.5
151.11191	2.9
153.05486	5.5
153.09100	4.6
163.07532	5.3
163.11182	32.7
165.09116	20.1
167.07039	2.5
167.10678	21.7
173.09628	10.9
191.10672	63.8
191.14293	2.5
209.11742	87.8
209.15277	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	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03954	5.6
53.44616	0.7
55.01873	16.8
55.05511	35.0
57.03442	6.3
57.07045	2.3
59.04975	0.8
65.03941	4.9
66.01688	0.7
67.05505	49.1
69.03429	3.7
69.06741	1.2
69.07072	16.6
70.56554	2.1
70.56913	0.6
71.04999	7.2
73.02906	3.9
77.03922	1.1
79.05495	72.7
81.03421	8.4
81.07059	53.0
83.01348	1.0
83.04980	11.6
83.08617	21.2
85.06536	1.4
91.05482	25.3
93.03385	1.5
93.07043	95.1
95.04971	18.2
95.08608	100.0
97.02891	8.4
97.06538	9.4
97.10152	1.4
99.04455	10.7
103.05487	2.8
105.04526	2.1
105.07028	20.6
107.04957	25.1
107.08595	61.4
109.06528	6.2
109.10126	4.7
111.04431	5.1
111.08099	2.4
113.06039	1.0
115.05475	2.0
116.06290	1.1
116.18900	0.8
117.07020	25.1
119.08583	19.0
121.06514	15.0
121.07366	0.9
121.10144	21.5
123.08121	1.1
125.06004	4.8
127.07604	1.2
129.07011	1.4
130.07808	5.7
130.59862	0.8
131.08681	0.9
133.10120	5.0
135.08110	5.7
135.11693	87.8
139.07593	3.0
143.08569	3.4
145.10126	59.0
146.10596	0.8
149.06157	0.9
149.09627	0.8
153.12817	1.9
155.08607	1.0
162.25217	0.7
163.11183	81.7
173.09676	1.5
181.12196	5.2
191.10857	0.7
191.14465	0.9
209.11844	1.4
209.15527	1.8
227.12810	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03940	2.3
55.01876	5.0
55.05515	10.5
57.03427	3.1
65.03949	2.3
67.05508	17.7
67.74761	0.9
69.03426	3.9
69.07081	9.7
70.60667	2.5
71.04603	1.3
71.05000	19.7
74.04916	0.8
77.86811	0.8
79.05500	37.5
81.03403	2.2
81.07064	9.9
83.04993	13.8
83.08604	3.0
85.06551	4.6
87.04438	0.8
91.05482	23.7
93.06476	1.7
93.07056	31.8
95.04976	13.2
95.08601	3.6
97.02855	1.6
97.06528	7.0
98.97587	2.3
99.04446	1.5
99.08106	1.1
103.05458	2.0
105.07034	24.7
107.04962	23.9
107.08604	44.4
108.03905	0.9
109.06540	8.9
109.10176	2.8
111.04446	8.4
111.08095	1.5
113.05996	0.9
116.06235	2.0
117.07028	8.4
119.01818	2.0
119.08592	14.0
121.06518	27.8
121.10152	27.8
121.11030	1.5
122.06837	6.2
123.04443	3.8
123.08055	3.3
125.05992	8.6
125.09650	2.3
128.02333	1.0
129.07016	6.4
130.07796	1.9
131.08577	83.1
133.06528	1.1
133.10123	3.2
135.04430	2.1
135.08052	3.4
135.11711	6.9
137.05968	2.8
137.09604	1.6
138.09120	1.0
139.07553	1.1
139.09525	1.5
141.05441	1.5
143.08537	1.6
145.06476	3.9
145.10129	42.3
147.08054	8.2
147.11671	3.0
149.06033	5.4
149.09628	100.0
151.07532	2.0
151.11183	3.5
153.05486	6.8
153.09137	1.9
155.07019	1.0
155.08545	1.7
158.07253	1.0
158.55551	0.8
161.09665	1.0
163.07535	5.8
163.11198	33.5
163.14839	1.1
165.09135	19.5
167.07059	2.6
167.10683	19.4
167.14348	4.4
173.09639	10.4
173.13245	1.5
177.05496	1.1
191.10689	57.4
191.14276	3.1
191.58682	1.1
200.09995	1.1
206.19653	1.0
209.11745	86.6
209.15297	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.02383	1.1
53.03942	4.0
55.01880	7.6
55.05514	22.9
55.11143	0.7
56.96564	5.3
57.03439	5.2
57.07063	2.6
59.04989	1.8
67.05511	12.7
68.02690	0.8
69.03410	3.9
69.07070	21.1
69.09504	0.8
69.37045	3.8
69.37472	3.0
71.04996	23.5
77.03928	1.5
79.05495	42.4
81.03407	1.9
81.07062	13.8
82.78617	0.8
83.04987	25.9
83.08618	10.0
85.02889	2.6
85.06533	2.2
85.17069	1.0
89.87686	0.9
91.05482	24.7
93.03381	0.9
93.07049	46.7
95.04975	26.8
95.08603	6.3
97.02877	2.1
97.06530	12.9
97.10157	3.4
98.97591	4.3
99.04500	4.8
103.05467	3.0
105.04508	1.4
105.07035	32.5
106.04169	1.6
107.04962	16.3
107.08600	66.0
109.06520	22.6
109.10156	8.8
110.07159	1.1
111.04426	3.5
111.08061	4.8
113.09628	0.9
116.06230	1.5
116.98589	1.4
117.07028	7.8
119.06124	1.2
119.07800	1.2
119.08591	15.5
119.09378	1.8
121.06512	34.3
121.10148	78.0
123.04394	1.7
123.08070	6.9
123.11721	3.4
125.06016	6.5
125.09634	4.3
127.03901	0.9
129.06989	4.1
130.07773	2.9
131.08572	100.0
133.06479	1.0
133.10124	9.2
135.04405	2.6
135.08078	6.9
135.11679	8.0
137.05971	2.6
139.07549	3.9
139.11165	1.4
141.05446	2.8
143.08588	1.7
145.06392	0.9
145.10130	40.2
145.11293	2.1
147.08058	3.9
147.11667	5.8
149.05998	6.7
149.09627	74.8
149.13226	4.0
151.07565	2.4
151.11189	11.3
153.05487	14.3
153.09114	8.8
155.06989	1.1
163.11186	28.4
163.13712	1.0
163.14828	8.6
165.09167	4.8
165.12674	1.2
167.07042	4.6
167.10713	5.1
167.14325	15.1
173.09552	4.8
173.13222	6.6
177.05441	1.7
179.10568	1.2
181.06479	1.5
181.08665	0.8
188.07054	1.8
189.07774	1.5
191.10695	34.5
191.14320	12.6
209.04480	1.1
209.11742	70.5
209.15288	21.9
210.12167	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02372	0.6
51.61694	0.5
53.03945	6.0
55.01870	1.3
55.05513	6.8
56.96566	3.3
57.03435	1.4
57.07077	1.0
59.04987	1.2
60.41980	0.5
65.03943	1.7
67.05502	25.0
69.03431	4.7
69.07067	7.6
71.05003	4.3
71.56883	0.9
73.06549	1.1
77.03917	1.2
79.05492	42.0
81.03426	3.4
81.07056	24.0
83.04975	4.7
83.08625	3.6
85.02913	2.2
85.06529	3.2
87.04459	0.7
91.05481	53.2
93.07043	100.0
95.04971	13.4
95.08603	13.2
96.08900	0.6
97.06554	3.1
97.10147	0.9
99.04465	1.2
103.05473	1.6
105.03394	0.7
105.04514	4.6
105.07033	30.5
107.04989	2.9
107.08588	14.6
109.02855	0.6
109.06516	8.7
109.10148	5.1
111.04451	1.2
111.08081	1.3
113.05981	0.6
115.05470	1.3
115.96439	1.1
117.07008	5.4
118.04142	0.7
119.04933	5.7
119.08583	20.5
121.06541	3.3
121.10163	6.7
123.04426	1.7
123.08070	6.9
123.11706	1.9
125.05989	1.0
127.07574	1.5
128.06230	1.9
129.05493	1.4
129.06998	9.7
130.07724	0.6
131.04851	0.5
131.08585	2.3
133.06485	1.8
133.10133	9.7
133.56143	0.6
135.08064	1.7
135.11639	1.5
136.05202	1.3
137.06042	1.4
137.09593	1.9
139.07579	0.9
141.51828	0.5
143.00182	0.7
143.08566	6.4
145.10107	9.0
146.03632	1.0
147.04396	5.6
147.08051	3.8
147.11687	59.1
149.02293	3.8
149.06038	1.0
149.09612	5.5
149.13206	1.3
151.07524	6.1
156.09373	1.7
161.01233	0.9
161.02870	0.7
161.05963	1.4
161.09612	4.9
161.13257	11.9
163.11172	2.4
164.04691	4.3
165.05466	0.7
165.09109	1.2
165.12782	2.2
165.96552	0.8
171.11696	19.0
174.03189	0.8
174.10512	0.8
175.03929	2.3
177.05376	1.3
179.07010	3.5
179.14287	1.0
183.97643	0.7
189.05435	2.2
189.09117	1.0
189.12755	17.0
189.16261	1.3
192.04176	2.4
207.06523	16.5
207.09969	2.2
207.13788	37.0
207.17418	1.8
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
51.02390	1.0
53.03949	5.7
55.01875	2.1
55.05511	8.2
55.18211	0.5
56.96585	2.1
56.96844	0.4
57.03425	1.7
57.07075	0.6
57.46889	0.4
59.05003	0.8
60.13749	0.4
65.03939	1.8
67.05506	26.7
69.03437	2.4
69.06731	0.6
69.07076	7.9
71.04984	2.9
73.06557	0.8
73.10420	0.4
77.03922	1.1
79.05495	46.5
81.03422	2.8
81.07062	24.2
83.04983	4.0
83.08637	3.1
85.02901	1.5
85.06532	2.4
89.28005	0.5
91.05485	51.7
93.07046	100.0
95.04975	11.7
95.08609	10.6
97.06556	2.1
97.10162	1.0
98.20679	0.6
98.24564	0.4
98.97622	0.5
99.04442	1.0
101.05965	0.5
103.05499	0.7
105.04523	3.3
105.07032	26.8
107.04954	2.1
107.08600	13.8
109.06521	5.4
109.10151	2.0
111.04426	1.0
111.08100	1.2
115.05450	0.6
115.96460	0.9
117.07020	5.1
119.04936	1.6
119.08589	17.6
121.06517	2.7
121.10165	3.3
123.04485	0.6
123.08071	4.9
123.11729	0.7
127.07552	1.3
128.06215	1.4
129.07011	9.3
129.20885	0.4
131.08553	1.8
133.06497	1.0
133.10136	7.0
135.08095	0.5
135.11682	1.6
137.05946	0.6
137.09630	1.1
143.08571	6.4
145.10130	8.6
147.04445	2.2
147.08025	2.9
147.11693	59.2
148.12036	0.7
149.02333	1.0
149.09602	1.8
149.13283	0.8
151.07501	1.8
156.09396	0.8
161.09592	4.3
161.13249	8.5
163.11179	1.4
164.04701	1.4
165.09102	0.7
165.12761	1.1
171.11696	22.3
174.03043	0.5
175.03868	1.1
177.05478	0.7
179.07088	1.0
179.14322	0.9
187.17381	0.5
189.05510	0.9
189.09013	0.7
189.12755	15.1
189.16338	0.8
192.04134	0.8
199.70233	0.5
207.06525	5.4
207.13806	33.1
207.17398	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03929	2.9
54.70994	1.6
55.00467	1.5
55.01861	3.8
55.05518	20.4
56.96556	5.8
57.03426	5.9
57.07072	3.1
65.03944	2.1
67.05523	9.1
69.03409	7.3
69.07060	14.6
69.60979	9.2
71.05004	9.7
79.05486	12.4
81.03412	2.1
81.07062	22.3
83.04975	24.9
83.08612	6.4
85.02441	2.7
85.02912	37.1
85.06534	4.0
91.05474	22.7
93.07044	24.9
95.04947	12.0
95.08610	17.8
97.06544	13.7
98.97570	12.3
99.04436	3.1
104.64018	1.5
104.91290	1.5
105.07035	30.8
107.05003	1.9
107.08586	29.5
107.41899	1.8
109.05797	3.6
109.06523	67.4
109.10130	12.6
111.04459	3.2
111.08061	15.8
117.06989	3.2
119.04940	7.8
119.08582	35.0
121.06496	5.0
121.10137	38.8
121.99277	1.5
123.08069	18.6
123.11707	20.6
125.05984	5.4
125.09650	3.3
128.06149	2.0
129.06993	2.6
131.08572	7.4
133.06505	4.5
133.10135	18.9
135.08049	7.1
135.11652	5.0
137.05956	3.5
137.09621	27.6
137.13245	4.9
139.07510	3.4
143.00105	2.4
143.01917	2.4
143.08545	3.7
145.10124	8.2
145.60724	1.7
147.04411	9.1
147.05426	1.8
147.08090	13.5
147.11690	61.2
149.08426	2.1
149.09618	39.5
151.07542	18.8
151.11253	1.9
156.09332	9.5
158.99672	2.9
159.08037	6.6
160.08858	1.8
161.01176	2.7
161.05942	2.3
161.09644	10.0
161.13264	30.6
163.11172	8.3
163.14746	1.7
163.82599	1.7
165.09106	2.1
165.12761	75.1
167.49278	1.7
171.11719	13.7
171.60410	1.6
174.10432	27.9
175.03905	3.2
177.00685	2.9
179.07108	3.8
179.14345	4.7
186.07233	2.7
189.05554	3.0
189.09109	2.5
189.12756	57.9
189.16382	3.7
207.06546	12.2
207.13806	100.0
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
50.75667	1.3
52.24403	1.5
53.03948	2.3
55.01855	2.3
55.05270	2.2
55.05513	32.6
56.96548	2.0
57.03421	1.6
59.05001	1.9
67.05508	10.6
69.03436	9.2
69.07060	10.9
69.66847	5.4
69.67258	2.1
71.04990	1.5
79.05495	19.4
81.07054	11.1
83.01321	1.6
83.04988	16.4
83.08591	3.0
85.02905	5.1
85.06522	1.5
91.05486	16.9
93.07054	11.3
95.04946	5.9
95.08605	21.8
97.02899	2.1
97.06532	29.9
98.97599	7.0
103.05546	1.7
105.07019	20.4
107.08596	25.5
108.05712	1.8
109.06507	15.2
109.10160	14.1
111.04446	2.0
111.08083	5.3
117.06987	2.9
119.04929	3.0
119.08584	17.8
121.06515	2.9
121.10143	20.2
122.07250	1.7
123.08073	51.1
123.11718	6.9
124.08832	3.8
125.05995	88.1
125.09632	23.5
129.06996	2.3
131.08557	2.3
133.06473	4.4
133.10139	9.1
135.08054	100.0
135.11678	2.9
137.05981	3.7
137.09621	30.3
137.13248	1.8
139.07500	2.9
143.08560	2.9
145.06392	1.6
145.10101	3.2
147.04407	3.4
147.08057	4.9
147.11688	27.0
149.09602	19.3
151.07559	16.7
151.11153	5.4
152.37465	1.6
153.09111	63.8
156.09383	2.5
157.25172	1.5
159.08093	1.8
161.06036	6.7
161.09633	5.5
161.13260	16.0
163.11230	7.1
164.04651	1.7
165.08983	1.9
165.12753	32.5
169.08571	7.4
171.11693	5.5
174.10408	2.8
175.03848	1.7
177.00710	1.8
177.05402	1.4
179.14322	13.0
186.07141	1.6
189.09088	3.9
189.12758	22.2
192.30283	1.4
195.07784	3.3
203.67738	1.5
207.06514	6.4
207.10019	2.1
207.13808	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03959	1.3
55.05518	5.6
57.07083	1.8
59.04996	1.7
62.59799	1.0
65.03918	1.3
67.05507	9.3
69.03432	6.6
69.07063	3.0
70.91113	2.4
71.04993	2.9
79.05495	5.9
81.07043	7.4
83.04975	4.4
85.02904	15.3
85.06525	4.8
91.05482	12.1
93.07043	7.6
95.04957	2.9
95.08614	18.8
103.05459	1.9
105.07033	29.8
107.04932	3.7
107.08601	12.7
109.05811	1.5
109.06526	24.2
109.10130	1.5
109.11274	1.2
111.04408	1.2
115.05437	1.2
117.07008	3.5
119.04898	1.3
119.08584	36.6
121.06488	4.0
121.09340	1.2
121.10154	18.1
123.08063	20.2
123.11739	7.7
128.06229	2.2
129.07014	2.1
130.07806	2.8
131.08557	12.9
133.06516	5.1
133.10136	11.0
135.08015	1.6
135.11687	2.1
137.05969	1.2
137.09581	4.1
137.13228	1.4
141.06996	2.2
143.08568	4.5
145.06511	1.2
145.10158	10.4
146.10892	3.2
147.08047	9.7
147.11690	45.1
149.09621	61.8
151.07541	6.7
152.05289	1.0
156.09358	12.1
159.08028	4.0
159.11751	1.2
160.08864	2.0
161.05949	2.6
161.09590	3.9
161.11987	1.9
161.13264	29.8
163.11168	9.2
163.25415	1.1
165.07359	1.5
165.12804	6.5
167.71115	1.1
171.11722	9.0
174.10408	8.6
178.09450	4.3
181.59413	1.1
189.09135	1.6
189.12746	55.0
207.13805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03950	0.4
55.01893	0.4
55.05508	1.0
59.05008	1.5
67.05495	1.5
69.03439	2.7
69.03756	0.5
69.07059	1.1
69.71907	1.2
69.72321	1.1
70.70341	0.4
71.04999	2.5
73.93507	0.4
75.74857	0.4
79.05494	2.7
81.07065	3.5
83.04986	2.6
85.02911	3.4
85.05634	0.5
91.05476	3.4
93.07053	5.6
95.04978	1.0
95.08627	3.4
97.06535	2.0
101.05962	0.5
103.05460	0.4
105.07037	10.0
107.08597	7.1
109.06528	4.1
109.10178	0.9
111.08070	0.9
119.04926	1.2
119.08582	7.3
121.06557	2.4
121.10152	8.1
123.08064	8.1
123.11718	4.3
128.06203	0.6
131.08556	2.0
133.05603	0.4
133.06506	1.8
133.07526	0.6
133.10121	1.9
135.08031	0.7
137.09619	4.0
143.08563	2.1
145.10123	2.7
147.04466	0.5
147.08026	1.9
147.11687	6.1
149.09624	100.0
151.07559	2.1
156.09380	3.0
159.08119	0.7
160.08862	0.6
161.05965	0.5
161.09653	2.0
161.13261	5.1
163.11191	2.3
165.09102	0.6
165.12770	5.8
171.11713	6.3
174.10429	3.0
189.12740	21.2
192.35037	0.4
207.13808	53.1
208.14117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03924	2.0
55.01865	2.0
55.05497	6.0
57.07064	3.6
59.04980	1.9
67.05509	20.0
69.03420	6.1
69.07070	4.4
69.72318	9.0
70.29391	1.6
71.04998	2.3
78.01653	1.6
79.05480	5.2
79.72685	1.7
80.63284	1.4
81.07060	16.0
83.04967	2.5
85.02906	71.0
85.06541	12.2
91.05485	14.5
93.07046	13.2
95.04955	6.0
95.08608	84.0
98.20747	2.2
103.05478	1.6
105.07034	37.2
107.04961	3.9
107.08588	22.2
109.06522	10.4
109.10143	9.1
113.05991	7.4
113.60124	1.6
117.07036	4.5
119.08580	43.0
121.06511	5.6
121.10135	27.3
123.08071	40.4
123.11707	38.1
125.05982	5.7
128.06230	2.1
129.06975	3.1
130.07782	4.2
131.08568	14.9
133.06448	3.1
133.10143	5.3
135.08051	2.2
135.11717	4.5
135.82129	1.4
137.09590	4.8
141.05505	1.8
141.06982	3.1
143.08571	5.0
145.10146	14.9
146.10913	3.5
147.08049	14.3
147.11678	45.9
149.09625	50.5
151.07530	7.3
151.14774	2.7
156.09338	11.1
159.08037	4.3
160.08870	2.4
161.09628	1.9
161.13249	16.6
163.11177	7.5
165.09085	2.5
165.12743	11.4
171.11699	9.5
174.10423	8.9
174.11732	1.5
179.14322	2.1
189.12740	44.5
207.13812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02389	1.2
53.03949	8.4
55.01865	1.5
55.05298	0.9
55.05510	10.1
62.72408	0.9
65.03918	1.8
67.05506	28.8
69.07057	5.8
69.78982	5.4
71.05000	1.8
73.06536	1.4
77.03957	1.5
79.05496	53.0
79.05965	2.6
81.03407	1.7
81.06659	1.5
81.07064	22.4
81.40420	1.1
83.04974	2.2
83.08601	4.2
85.06522	2.2
91.05482	52.1
93.07045	100.0
93.94325	1.0
95.04974	11.3
95.08594	9.6
97.06549	2.9
97.10137	1.4
98.21488	1.6
105.04505	2.5
105.06403	1.7
105.07040	21.1
107.08596	10.4
109.06530	5.9
115.05462	1.4
117.06998	4.2
119.08577	15.1
121.06540	2.3
121.10120	2.4
123.08036	3.9
127.07534	1.9
128.06230	2.7
129.06987	6.8
131.08557	1.3
133.10103	4.1
141.23579	1.0
143.08531	5.8
145.10129	7.9
147.08101	1.4
147.11693	48.1
161.09572	3.2
161.13246	9.7
171.11681	23.5
189.12715	13.6
207.13815	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02380	0.8
53.03948	6.8
53.48333	0.7
55.01862	1.0
55.05510	8.5
65.03947	1.4
65.35686	0.7
67.05507	29.2
69.07071	5.7
71.04993	1.7
73.06567	1.9
77.03930	2.9
79.05495	56.4
81.03403	2.4
81.06586	1.2
81.07059	22.3
83.04996	4.0
83.08591	3.7
85.02925	0.7
85.06541	1.8
91.05485	50.0
93.07048	100.0
95.04977	10.9
95.08601	9.6
97.06518	2.0
97.10176	1.3
105.04511	2.3
105.07040	26.0
107.08603	9.2
109.06506	3.8
109.10188	1.3
115.05442	0.8
117.07027	3.7
119.07795	1.1
119.08581	13.8
121.06477	2.1
121.10128	2.9
123.08057	2.4
127.07568	1.0
128.01797	0.7
128.06210	1.8
129.07019	8.8
131.08577	1.5
133.10152	5.3
143.08571	5.9
145.10126	8.8
147.08018	1.2
147.11691	52.1
161.09624	4.1
161.13269	9.1
161.97241	0.8
171.11697	27.7
189.12743	11.9
207.13799	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02375	1.0
52.06742	0.4
52.67220	0.4
53.03708	0.7
53.03948	7.7
53.70196	0.5
55.01860	1.4
55.05514	5.6
57.03449	0.6
58.01998	0.5
65.03928	1.3
67.05508	18.9
67.98176	0.4
69.07057	4.6
70.91191	1.2
71.05006	2.3
71.51589	0.4
73.06552	0.9
75.59437	0.4
77.03923	2.7
79.05494	40.8
81.03424	1.2
81.07056	17.3
83.04972	1.9
83.08610	2.4
85.02891	0.6
85.06540	2.6
91.05482	49.5
93.07043	100.0
95.04977	8.6
95.08614	6.8
97.06522	1.6
97.10138	0.7
105.04537	3.8
105.07035	19.0
107.04927	0.7
107.08595	7.7
109.06503	3.6
111.08121	0.5
115.05480	0.5
117.07028	4.5
119.08580	10.1
121.06496	1.7
121.10149	1.7
123.08089	2.6
127.07558	1.3
128.06218	1.0
129.07007	8.5
131.08501	0.6
133.06416	0.5
133.10127	3.3
139.07559	0.6
143.08560	4.4
145.10126	6.7
147.08060	1.6
147.11690	42.5
159.11731	0.5
161.09653	4.0
161.13239	6.7
171.11694	17.2
189.12741	10.8
207.13806	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	207.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62665	1.4
53.03935	2.5
55.01875	15.7
55.05497	3.4
56.05037	2.2
56.96567	88.3
57.03442	31.1
58.96151	1.5
59.05009	2.2
59.78191	1.6
59.94069	1.3
60.04533	1.8
60.95849	1.9
61.02929	34.6
62.03270	1.4
65.92651	1.5
67.05494	3.5
69.03433	22.0
69.07081	1.7
70.28790	3.0
70.29144	4.3
70.98126	19.9
71.01343	3.3
71.04988	3.8
71.95264	5.5
72.96072	1.9
73.02503	2.5
73.02917	38.9
74.00248	4.1
74.06078	4.6
74.97600	2.6
75.04478	1.8
77.00864	3.3
79.05493	4.4
80.94967	6.5
81.03415	9.9
81.07042	4.4
82.01447	4.5
83.00785	12.9
83.01267	2.9
83.04990	3.7
84.96040	5.7
85.02906	58.3
86.03695	2.7
87.01045	1.7
87.04464	7.3
88.99162	15.5
89.00790	5.7
89.02454	1.6
90.01576	5.9
91.02484	1.4
91.03981	4.0
91.05479	10.3
92.01316	10.1
92.19139	1.6
93.07075	9.0
95.00764	5.6
95.01330	3.2
95.04946	2.1
95.08571	3.1
96.01542	4.2
97.01373	1.7
97.02896	25.8
97.96832	2.2
98.01262	7.2
98.97585	100.0
99.02016	2.2
99.04457	7.1
100.00024	1.8
100.02460	11.5
101.00874	9.9
101.02363	7.6
103.00544	2.8
103.02403	1.5
104.01294	18.6
105.02115	2.0
105.07038	4.4
107.00192	1.8
107.04942	1.7
107.08600	4.2
109.02874	5.8
109.06520	3.0
110.01294	22.5
110.97567	36.6
111.04468	2.7
112.99148	1.9
113.00963	2.2
113.01781	33.2
114.04033	4.5
114.97027	1.8
115.02432	8.2
115.03939	10.0
116.01299	9.7
116.98621	42.8
117.02036	4.1
117.04032	3.9
118.01024	6.4
118.03526	2.6
119.01823	42.6
119.04964	4.4
119.08596	4.0
121.00884	2.1
121.01620	7.9
121.97569	5.5
122.01385	2.4
122.02316	25.1
123.02058	3.6
123.08069	1.9
124.01020	4.5
124.93855	2.5
124.95506	8.4
124.99146	4.3
125.00999	1.7
125.01824	7.1
126.04066	3.1
127.03917	16.6
128.01369	1.5
128.02322	43.2
128.97679	3.2
128.98615	49.0
129.01941	4.1
129.03198	3.2
129.05499	2.1
131.00150	5.7
131.01819	10.9
132.00790	1.7
132.02612	2.3
132.05095	2.1
132.96620	1.9
133.01614	5.1
133.03465	8.0
133.10072	2.2
134.01324	2.6
134.02315	2.1
134.99655	11.0
135.01221	8.0
135.03116	4.2
135.05023	2.9
135.53044	1.7
137.01807	6.1
137.02888	10.5
137.98468	2.1
138.00769	4.1
138.02551	2.7
138.04085	1.7
139.01543	2.1
140.02292	10.8
140.05586	2.1
140.98653	2.7
141.03035	1.9
142.03474	2.5
142.94933	2.0
142.96547	16.5
143.00192	12.5
143.01857	13.7
143.03510	4.2
144.05110	3.0
144.40637	1.6
145.01639	3.9
145.02756	1.8
145.04961	5.6
146.02327	18.9
146.03482	2.2
146.99660	38.1
147.01256	8.7
147.03082	3.4
147.04413	5.9
147.11752	5.4
149.01231	4.5
149.02901	4.2
149.09541	2.0
150.01863	1.9
151.07542	2.8
152.02342	11.0
153.01279	7.0
153.03181	4.9
154.02061	6.0
155.02869	8.9
156.01825	5.7
156.03169	1.6
156.04955	2.2
156.98061	2.9
157.01376	4.6
158.06660	2.7
158.99677	18.8
159.01317	4.7
160.02058	4.5
160.96075	4.3
160.97612	17.0
161.01227	14.6
161.02946	60.0
162.01836	7.9
163.02670	5.1
165.00735	23.2
165.96561	5.8
166.02040	2.2
166.03505	3.1
167.02850	3.1
168.01814	6.8
169.02631	4.8
170.01524	3.7
170.03313	4.2
170.99666	27.3
172.97659	2.9
173.01231	3.4
173.02895	5.0
174.99156	5.1
175.03972	3.6
176.03348	2.5
176.07661	1.9
177.00722	15.0
177.02344	5.0
177.05431	2.1
178.03163	4.4
178.98715	4.3
179.02290	4.5
179.04007	6.6
182.01839	1.9
182.03342	8.1
182.99710	3.8
183.02039	1.7
183.97630	6.9
184.02969	3.6
184.04530	40.5
185.02991	6.6
188.97110	4.9
189.00728	39.3
189.02220	3.1
189.05466	6.5
190.98651	5.2
191.03900	4.5
193.00247	6.0
198.02927	6.6
200.04446	3.0
201.00687	11.1
202.01006	2.6
202.05710	5.7
205.00183	2.8
206.98119	3.8
207.01753	14.0
207.03418	3.3
207.06467	5.3
207.13870	6.7
214.98711	2.9
217.00182	2.4
219.01799	13.8
225.02771	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	206.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.6
55.01849	0.5
55.05513	6.0
57.03434	0.6
65.03945	0.7
69.03421	1.2
69.07087	0.6
69.91943	1.9
69.92358	1.1
78.04723	0.5
78.06226	0.5
79.05496	2.8
81.07027	0.6
84.08138	0.6
91.05480	3.7
92.06252	1.0
93.07040	2.2
95.04964	0.8
98.97584	1.8
103.05463	0.8
105.03377	1.0
105.04491	0.8
105.07033	1.9
106.04231	0.8
106.06553	7.7
107.04958	13.2
107.08624	0.7
109.06522	0.7
119.04926	0.6
119.08651	0.6
120.05746	1.4
121.06523	5.7
121.10124	0.8
123.04430	23.4
131.04836	0.5
131.08571	5.4
132.08058	0.7
133.06490	2.2
134.03677	2.9
134.06023	15.7
135.04427	15.6
135.06792	4.8
135.08055	1.7
144.05632	1.0
147.04411	9.9
147.08058	0.8
147.11606	0.6
148.05193	43.7
149.05992	3.9
149.09598	3.3
152.07053	1.5
159.08051	2.7
164.07071	44.9
176.08327	3.0
177.09109	100.0
188.10707	2.4
189.09117	4.9
206.05305	0.7
206.11768	30.9
207.13869	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48872	1.7
56.96551	5.0
69.28644	9.8
73.19068	1.4
82.99816	3.4
84.95988	1.6
98.97586	2.7
101.00880	30.0
103.00594	1.8
116.98608	1.5
117.01006	1.3
119.01921	44.2
121.01661	3.1
124.02464	10.0
137.02983	7.0
142.03499	100.0
142.87877	1.6
146.91800	7.3
160.04536	18.9
161.02960	2.6
164.03188	1.5
164.98547	2.4
165.05127	2.7
182.99719	8.4
183.01178	2.1
183.06244	2.0
201.00677	8.3
201.02415	2.7
206.05429	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25431	1.6
53.03944	2.3
55.01867	10.7
55.05502	4.6
56.05036	2.0
56.96293	3.3
56.96564	58.5
57.03183	2.3
57.03437	20.8
58.06590	1.8
59.04988	2.6
60.04527	11.6
60.95831	4.0
61.02926	25.6
61.04845	2.4
64.95526	2.7
66.71420	1.7
67.05476	2.5
67.41404	1.6
68.05026	1.7
69.03430	21.5
69.07055	2.0
70.06612	3.1
70.06995	7.2
70.98121	12.8
71.01352	3.1
71.04987	3.3
72.08136	3.8
73.02917	40.8
74.00263	3.6
74.03262	2.2
74.06069	4.1
74.97576	1.7
78.95264	2.1
80.04971	3.3
80.94967	2.9
81.03426	13.2
82.01382	2.2
82.06578	2.8
82.99847	3.8
83.00781	11.0
83.04948	2.5
84.04485	4.0
84.08147	29.9
84.96016	7.8
85.02422	3.1
85.02904	37.3
86.00243	2.0
86.03214	2.8
86.03694	3.7
86.06076	3.5
86.09703	3.3
87.04464	4.7
88.99162	6.8
89.00791	4.3
90.01553	3.0
90.05553	2.7
91.00510	2.2
91.05506	2.4
92.01275	5.2
95.00770	6.4
95.04973	1.8
96.01556	4.3
96.08082	1.7
97.02891	33.9
97.30649	2.0
97.99181	2.2
98.03230	2.1
98.97583	71.8
99.02122	1.8
99.04449	4.5
99.97918	3.4
100.02487	3.8
100.99147	3.6
101.00871	38.5
101.02480	2.2
101.97099	1.5
102.00953	4.5
102.96873	5.1
103.00581	5.5
103.02364	3.9
104.01295	17.3
105.02125	2.6
105.07006	2.0
108.01519	4.2
109.02891	5.3
110.01283	18.9
110.05968	1.9
110.97581	17.8
111.52168	1.9
112.99151	2.0
113.00914	5.4
113.01799	13.5
115.00623	3.1
115.02389	4.2
115.03913	2.5
116.01270	5.6
116.02514	1.7
116.98631	26.8
117.02047	4.3
117.03979	2.2
117.98949	2.0
118.01017	3.0
118.03552	2.5
119.01901	66.4
119.09014	2.1
119.21375	1.6
120.02035	2.4
120.98001	3.2
121.01622	8.1
121.03281	1.8
121.97575	1.8
122.02299	5.3
122.06028	4.3
122.94277	2.2
123.02060	3.2
123.04445	12.7
123.96420	2.1
124.02440	10.9
124.95438	2.0
124.99129	3.0
125.01781	5.3
127.02397	2.1
127.03924	12.6
128.02304	10.3
128.07065	2.9
128.98607	31.1
130.08624	2.2
131.00188	5.4
131.01811	17.2
132.01886	3.5
133.01575	5.2
133.03424	4.0
133.98915	2.1
134.02284	7.5
134.03410	3.0
134.99635	6.4
135.02159	2.0
135.03207	1.9
136.99109	2.0
137.01781	6.3
137.02911	14.5
137.05959	2.3
138.02554	3.8
138.05481	4.5
139.02448	1.9
140.02284	17.3
140.03250	2.0
140.07069	2.8
140.98572	3.7
140.99580	2.1
141.03073	3.9
141.05313	1.8
142.01744	3.7
142.03496	100.0
142.08585	2.9
142.96474	3.3
143.00165	7.1
143.01862	6.3
143.05040	1.8
144.10197	4.9
145.01604	7.7
145.03415	4.0
145.04935	2.3
146.02307	21.9
146.03459	2.6
146.08107	3.2
146.52554	2.2
146.91824	5.9
146.99622	18.1
147.02121	2.2
147.03120	7.0
148.01973	2.5
148.03796	3.2
149.01198	4.6
149.02959	9.0
150.03001	2.0
151.03885	26.4
151.04950	3.1
152.02292	3.1
152.07091	1.9
154.02013	5.2
154.03371	1.6
154.52936	2.5
155.00183	5.8
155.02701	17.2
155.03769	5.6
155.98276	2.6
156.03642	3.8
158.99670	9.6
159.98653	2.7
160.04552	30.3
160.05908	2.2
160.09651	2.0
160.11566	2.1
160.97580	2.6
161.01227	6.3
161.02950	13.0
162.03087	2.0
162.99171	2.5
163.02695	6.8
164.02158	5.1
164.03319	6.4
164.97244	2.4
164.98572	3.7
165.00705	6.9
165.03099	3.1
165.05099	5.8
167.02852	2.1
168.99203	2.7
170.03340	3.9
170.08119	7.1
170.99684	5.2
171.03094	2.1
173.01205	5.6
173.02797	2.9
173.04803	2.4
173.51848	2.2
175.02682	4.3
175.04402	2.3
176.03345	25.0
176.04657	2.1
177.00667	10.1
177.07893	2.6
177.99599	2.0
178.04941	3.2
179.00111	3.2
179.04025	3.0
181.01753	2.2
182.03148	4.1
182.98293	3.7
182.99657	16.9
183.01143	3.0
183.03224	4.0
183.97636	4.2
184.04523	6.2
185.02594	2.3
185.03944	36.4
185.54070	4.8
188.09181	9.7
189.00734	18.8
191.04094	2.2
193.00150	3.2
194.03139	9.0
194.53500	2.6
197.01155	2.1
200.99211	1.3
201.00745	28.2
201.02458	3.8
201.04214	1.8
203.04065	2.2
203.05904	2.4
205.03761	2.5
206.05597	2.8
206.10219	17.6
206.11890	10.8
206.13826	3.7
207.01817	12.3
209.98395	2.4
217.00142	2.4
219.01663	9.8
225.02710	3.5
227.99394	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	205.1952
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
50.52195	1.6
51.02364	2.2
51.20059	1.9
53.03931	5.3
55.01867	4.7
55.05265	2.7
55.05510	32.6
56.96545	7.5
57.03416	4.5
57.07074	18.2
58.06598	3.0
58.10828	1.6
59.40577	1.6
60.50009	1.7
61.02929	3.1
65.03935	16.1
67.05509	45.0
69.03424	10.2
69.07068	46.1
69.20435	1.8
70.06573	1.6
70.44878	5.4
71.04982	3.8
71.08622	3.5
73.02897	2.7
79.05495	48.5
81.03432	10.9
81.07059	87.1
83.04977	3.5
83.08616	19.7
85.02909	11.6
85.06538	2.3
89.03938	4.0
91.05484	42.6
93.03382	2.8
93.07047	94.7
95.04956	12.2
95.08607	90.2
96.04450	2.1
97.02892	35.1
97.06508	2.7
97.10187	15.5
99.04449	7.5
99.08087	2.7
102.02227	1.9
103.05459	3.5
105.04489	2.7
105.07035	28.8
107.04964	43.9
107.08595	90.1
109.02885	21.0
109.06505	7.3
109.10161	69.5
111.08090	2.5
111.11715	6.1
113.96378	4.2
115.05391	2.5
117.07014	17.0
119.00189	2.7
119.08590	17.2
121.02859	9.4
121.04017	3.5
121.06516	13.5
121.10147	100.0
122.07187	1.6
123.06635	3.1
123.08071	7.7
123.11710	37.7
127.03914	9.0
127.05862	3.9
129.06955	3.6
131.08562	25.0
131.97426	3.4
133.10146	8.9
135.04451	2.0
135.06543	2.3
135.08034	5.7
135.11697	64.6
137.09642	3.6
137.13257	3.1
139.03780	2.5
142.03513	4.0
143.08577	2.5
145.02855	29.2
145.04985	2.3
145.06548	5.4
145.10127	26.4
147.11682	5.8
149.01144	3.6
149.02345	66.2
149.09633	3.4
149.13268	81.4
150.07759	1.8
154.99158	1.8
157.10083	1.9
159.08023	2.7
159.11674	11.2
160.07533	2.3
161.13239	3.3
163.02780	3.9
163.09909	4.4
163.11186	10.5
163.14813	13.9
164.09288	2.0
166.09129	2.7
173.02298	3.2
175.09785	2.1
175.14868	3.2
177.12762	6.2
177.16382	5.7
177.59927	2.5
181.97906	2.4
182.10355	2.8
187.11198	9.3
187.14833	22.8
188.07361	2.0
188.09265	2.5
205.04993	74.7
205.06805	5.2
205.08751	5.9
205.12294	29.3
205.14333	4.7
205.15889	94.5
205.19531	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
50.53721	0.4
53.03946	1.2
55.05510	7.6
56.96563	0.9
57.07082	3.7
60.04528	0.8
65.03935	2.1
67.05502	7.2
69.03431	1.0
69.07072	13.6
69.52820	2.9
69.72051	0.4
69.93573	0.4
71.05000	0.6
71.08632	1.1
74.43625	0.5
75.33146	0.4
79.05500	10.2
81.03410	1.6
81.07060	45.8
83.07264	0.5
83.08622	6.2
85.02923	2.0
85.04785	0.5
88.02680	0.5
89.03914	0.7
91.05476	6.7
93.07048	42.1
95.04989	1.2
95.08613	19.0
97.02899	6.7
97.10182	3.4
98.21449	1.0
99.04477	1.3
101.17783	0.5
105.07034	5.2
107.04955	0.8
107.08599	26.3
109.02883	4.8
109.06513	0.9
109.10165	16.9
111.11726	1.7
117.03397	0.5
117.06997	0.9
119.08597	1.3
121.02879	1.1
121.04025	0.6
121.06527	1.5
121.10149	100.0
122.10567	0.7
123.08089	1.0
123.11716	10.3
127.03950	1.4
127.05933	0.6
131.08571	1.1
133.10138	0.8
135.08092	1.1
135.11705	14.7
137.13257	0.5
141.67932	0.4
143.13762	0.5
145.02849	5.1
145.10132	1.0
147.11690	1.0
149.02356	12.8
149.09648	0.9
149.13266	40.6
159.11693	0.7
160.07628	0.6
163.11208	0.7
163.14851	3.1
173.02377	0.7
177.12746	0.6
187.11053	0.7
187.14789	0.6
205.04996	11.7
205.06834	1.0
205.08870	1.1
205.12239	1.8
205.14177	0.9
205.16042	2.6
205.19530	22.2
205.21471	1.1
206.19112	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	Khusimone
Peak:m/z	Relative Intensity
50.66722	0.6
53.03934	1.3
54.05656	0.5
55.01859	0.7
55.05512	4.6
56.96566	8.9
57.03423	2.3
57.06215	0.5
57.07079	3.4
57.11469	0.6
57.34209	0.6
58.06576	0.6
60.04518	0.9
65.03942	4.1
67.05500	5.4
69.03413	2.0
69.07076	4.6
69.25875	3.2
69.26288	1.8
71.04993	21.9
73.02889	0.8
78.95267	0.6
79.05499	5.0
81.03401	2.2
81.07057	12.6
83.04956	0.6
83.08625	1.4
85.02888	2.4
85.06532	1.2
89.03904	1.1
91.05471	8.3
93.07050	13.4
95.04987	3.6
95.08611	19.3
97.02355	0.8
97.02888	6.8
97.06498	2.1
98.97597	0.7
99.04430	1.6
99.08086	2.0
105.07034	31.5
107.04953	2.2
107.08590	12.0
109.02877	6.0
109.06505	2.2
109.10150	3.7
111.08054	2.6
113.09644	15.0
117.03355	1.1
117.07021	3.6
119.00339	0.6
119.08583	11.2
121.02794	0.7
121.06488	3.3
121.10138	9.3
123.08064	1.2
123.11704	7.7
126.05158	0.8
127.03918	2.3
127.05876	0.9
128.98587	0.6
129.07025	1.5
130.07782	1.2
131.04887	0.8
131.08568	14.8
133.10143	1.6
135.05667	1.7
135.08044	0.9
135.11687	4.9
140.06662	0.6
140.56816	0.6
143.08540	0.8
145.02831	7.1
145.06485	0.7
145.10120	21.4
146.99657	0.6
147.11687	34.4
149.02345	17.1
149.05409	0.6
149.09641	1.6
149.13287	1.6
157.10127	0.8
158.06013	0.7
159.08026	0.9
159.11685	8.4
161.09314	0.6
161.13232	3.2
163.02876	0.8
163.11145	1.4
163.14832	3.2
163.96869	0.7
173.02361	1.9
175.08852	1.4
177.12747	2.5
184.09311	1.7
185.04836	0.7
187.11292	2.8
187.14821	33.8
197.04817	0.6
205.04984	19.8
205.06784	0.8
205.08623	1.5
205.12247	6.6
205.15877	100.0
213.07925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02377	0.7
53.03948	2.4
55.01875	6.5
55.05511	3.6
56.96563	2.3
57.03438	1.1
57.04233	0.6
57.07071	2.4
58.70719	0.5
60.04522	0.5
65.03951	3.7
65.04240	0.6
67.05502	11.4
67.77232	0.6
69.03433	3.2
69.07066	7.5
70.43952	1.9
71.01350	2.5
71.04993	1.4
71.06121	0.5
71.78175	0.5
74.52348	0.5
76.69022	0.5
77.03915	0.9
79.05495	19.7
79.05959	1.0
80.61060	0.5
81.03429	3.5
81.07053	12.7
83.04971	5.6
83.08609	1.8
83.65959	0.6
85.02909	1.7
85.06532	1.2
89.03918	1.4
91.05476	16.7
93.07047	10.5
93.07619	0.8
95.01294	0.7
95.04966	13.8
95.08604	10.5
97.02883	6.5
97.06522	4.2
99.04469	1.3
99.08089	5.0
103.05485	2.1
105.03393	0.7
105.04511	1.0
105.07029	8.9
105.40859	0.5
107.04955	100.0
107.08562	4.3
109.02879	6.8
109.06520	4.2
109.10150	0.9
111.08076	13.1
113.96405	0.8
115.05452	1.5
117.07027	10.6
118.04122	0.6
119.04950	6.1
119.08581	3.8
119.97855	0.7
121.02856	2.6
121.06501	10.5
121.10107	2.8
123.04422	7.2
123.08076	13.1
125.06042	0.7
127.03897	2.0
128.06218	1.1
129.06995	2.2
131.04919	2.4
131.08569	9.2
133.06482	2.4
133.10152	1.4
135.08072	3.1
135.11700	11.6
137.09601	0.8
139.03905	0.6
141.06990	5.6
143.08548	3.3
144.09288	0.9
145.02838	6.9
145.06491	17.7
145.10121	7.8
146.07269	0.8
147.08107	0.6
147.11716	0.9
149.02336	16.1
149.05960	0.6
149.09650	0.9
149.13297	1.4
154.07768	1.6
155.06059	0.7
157.10114	0.7
159.08060	3.6
159.10452	1.0
159.11687	12.9
161.05356	0.7
163.11185	1.7
169.10114	10.3
171.08507	0.8
173.02325	1.0
177.12704	4.3
182.01897	0.6
187.11180	43.2
187.14737	1.8
205.04980	17.6
205.06830	1.0
205.08965	1.4
205.12233	33.7
205.15836	7.5
205.82109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.37439	1.3
55.05507	10.6
56.49813	1.0
56.96544	3.1
57.03439	1.3
57.07056	2.8
65.03949	1.7
67.05502	18.7
69.03416	1.6
69.07070	18.9
70.88908	2.1
72.29495	1.0
79.05486	6.5
81.07054	44.9
83.08612	5.5
84.57771	1.0
85.02876	1.2
91.05485	16.2
93.07047	19.4
95.04967	3.0
95.08609	41.7
97.10149	2.4
97.86149	1.3
100.02496	1.2
105.07031	59.2
107.08595	22.2
109.06503	2.1
109.10156	38.8
117.07023	4.5
119.01918	1.5
119.08582	85.3
121.10139	21.6
123.11707	21.1
128.06282	1.8
129.07069	1.8
131.08536	3.4
133.10136	44.7
135.11720	4.3
137.05894	1.5
142.07761	1.6
143.08580	1.7
145.10115	9.4
147.08028	2.2
147.11688	89.1
157.06502	1.1
157.10103	1.7
159.11717	2.6
160.12437	2.9
161.02872	1.8
161.09613	3.1
161.13263	19.8
174.14073	1.4
175.07510	2.0
175.11244	1.2
175.14883	5.7
179.97903	1.6
185.13234	1.2
203.05313	2.2
203.06975	4.3
203.10710	5.0
203.14508	8.4
203.17960	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
54.01018	0.8
55.05507	6.1
56.96520	0.9
57.07064	1.7
60.67965	0.8
67.05505	17.7
69.07064	9.2
71.07739	1.4
79.05504	7.2
81.07059	38.5
83.08607	4.1
85.45355	0.9
91.05480	11.4
93.07045	16.7
95.08607	62.8
97.10169	1.6
105.07030	37.7
107.08595	30.9
109.06504	0.8
109.10156	44.7
109.72826	0.8
117.06994	1.3
119.08582	31.2
121.10146	13.9
123.11694	5.8
131.08571	1.3
133.10130	22.7
135.11702	4.1
145.10123	2.8
147.11690	49.9
148.12485	0.8
159.11656	1.4
160.05229	1.2
160.12503	1.2
161.13260	16.5
175.14850	8.2
194.24875	0.9
203.07079	1.2
203.17963	100.0
203.21889	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	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03943	1.0
55.05511	10.9
56.96560	1.4
57.07061	2.7
67.05504	11.4
68.19705	0.8
69.07064	15.7
69.50456	2.2
69.50860	3.8
77.08410	0.9
79.05496	7.3
81.07056	57.5
82.00781	1.0
83.08632	5.3
91.05482	9.7
93.07050	15.8
95.08608	40.8
97.10161	2.3
101.00848	0.9
105.07032	65.5
107.08592	21.0
108.82382	1.0
109.10152	37.0
117.07008	2.6
119.08580	70.3
121.10143	18.4
123.11710	20.8
131.08597	5.0
133.10132	35.9
135.11679	4.9
143.01923	1.3
145.10118	8.8
147.11685	93.0
159.11676	3.0
160.12444	4.2
161.13254	19.9
173.13231	1.1
175.14865	4.7
201.35930	0.9
203.14635	2.5
203.17957	100.0
222.36728	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03938	1.3
55.05509	10.6
56.05038	4.4
56.96554	2.6
57.03419	1.0
57.05372	1.2
57.07073	4.2
60.04501	1.5
60.80740	0.8
65.03954	1.1
67.05183	1.0
67.05509	16.8
69.07064	10.7
71.04970	0.8
71.56227	1.6
73.02926	0.9
74.02402	0.8
79.05502	8.3
81.06586	1.4
81.07060	27.1
82.01454	0.9
83.04955	1.1
83.08631	6.2
86.09745	1.0
91.05477	15.2
92.86069	0.9
93.07046	16.3
95.04989	1.5
95.08611	43.9
97.02893	1.8
97.06516	1.1
97.10152	2.8
98.97590	1.8
100.02473	1.1
101.00861	3.1
102.05563	5.1
102.96827	1.2
103.05898	1.9
105.04551	0.9
105.07034	53.0
107.07862	1.8
107.08591	30.3
109.06499	1.6
109.10159	32.6
112.11169	0.8
116.98604	1.3
117.07018	3.7
119.01933	4.8
119.04903	1.3
119.08584	60.7
121.06464	1.0
121.10145	18.7
123.08038	1.1
123.11710	11.8
125.09628	1.3
128.06262	0.9
129.06987	2.3
131.08553	5.2
133.06526	1.0
133.10132	42.3
135.08014	1.2
135.11731	3.8
142.07722	1.3
143.01903	4.1
143.08560	2.7
145.06416	1.0
145.10123	8.0
146.10941	0.9
147.04434	0.9
147.11690	72.9
157.06445	1.1
157.07626	1.0
157.10126	3.7
157.14211	1.7
159.11705	3.9
160.05247	1.4
160.12463	2.9
161.02986	5.0
161.05949	2.9
161.09630	2.0
161.13260	19.7
170.10840	1.0
173.06059	1.0
173.13284	1.7
175.07503	2.7
175.11150	1.1
175.14806	8.7
185.05922	1.3
185.09680	1.0
185.13258	2.3
188.08295	1.0
203.03520	0.8
203.05293	1.5
203.07005	6.0
203.08795	1.1
203.10739	9.5
203.14380	8.0
203.17958	100.0
204.06499	0.8
204.08638	1.4
204.13893	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.30531	0.8
50.77793	0.8
55.05513	10.9
56.96551	2.1
57.07060	2.6
67.05509	14.8
69.07068	16.4
70.57056	2.6
70.57422	0.8
71.18176	0.7
79.05493	7.3
79.07261	0.8
81.07059	42.0
81.55012	0.8
83.08631	5.1
91.05480	12.9
93.07045	13.8
95.04951	1.5
95.08611	39.4
97.10169	2.3
103.02290	0.9
103.05484	1.1
105.07034	58.1
107.08597	18.7
109.06514	1.0
109.10159	43.4
117.06993	2.5
119.08586	71.4
121.09328	1.4
121.10149	21.2
123.11714	25.7
129.06978	1.6
129.95979	0.9
131.08556	3.4
133.10136	39.3
135.11674	4.9
142.07762	1.3
145.10129	7.9
147.08069	1.6
147.11693	79.3
148.12151	0.8
150.06215	1.5
157.10121	1.6
159.06752	3.4
159.11703	4.8
160.12495	4.8
161.02945	1.3
161.09593	1.0
161.13266	21.9
167.30103	1.1
171.07935	0.9
175.14841	4.5
185.13235	1.7
203.07079	1.6
203.10626	1.6
203.14304	5.2
203.17964	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03944	1.7
54.44836	0.6
55.05511	10.3
56.96555	2.6
57.03436	5.6
57.07067	2.5
60.04527	1.3
61.02896	0.8
63.21277	0.8
65.03925	1.4
67.05179	1.0
67.05505	13.0
69.03419	1.7
69.07069	11.3
69.69279	3.8
70.06586	0.7
71.04967	0.8
72.34798	0.6
79.05498	10.1
81.06584	1.3
81.07059	23.5
83.04965	1.4
83.08621	4.8
84.08134	0.7
85.02897	1.5
91.05485	15.5
93.07042	14.2
95.04968	1.6
95.08610	39.6
97.02888	2.5
97.06544	1.0
97.10147	1.9
98.97581	6.8
100.02510	0.7
101.00871	2.1
103.05441	1.6
104.46693	0.6
105.07034	65.6
107.04960	1.8
107.08599	20.0
109.06512	1.1
109.10159	33.9
115.05451	1.8
116.98600	1.9
117.06998	2.6
119.01903	2.9
119.04893	1.2
119.08583	66.1
121.06495	1.2
121.10147	20.9
123.04453	2.0
123.11700	10.2
128.06279	1.0
129.07005	3.1
130.06491	0.7
131.04903	1.2
131.08565	6.8
133.06512	1.4
133.10133	36.6
135.04381	1.2
135.08090	0.8
135.11684	4.1
142.07748	2.3
143.01913	3.5
143.08554	1.8
145.06491	4.0
145.10138	6.1
147.08058	9.5
147.11691	75.3
149.05980	1.3
157.10112	3.1
157.12202	0.8
158.99689	3.3
159.08052	1.2
159.11688	2.9
160.05225	1.0
160.12473	2.9
161.03001	5.0
161.05942	3.0
161.09593	1.4
161.13263	20.6
162.04382	9.8
169.06232	0.9
171.04919	13.0
171.55069	1.3
173.13300	0.8
174.06728	1.7
174.14063	1.2
175.07541	2.8
175.11223	1.8
175.14865	5.6
177.00723	1.7
179.03816	1.1
182.55696	1.6
183.08553	0.8
185.09604	2.6
185.11328	0.6
185.13211	1.3
188.04742	0.7
188.08308	1.5
197.99052	0.7
203.05409	1.1
203.07027	2.7
203.10666	25.3
203.14264	4.6
203.17960	100.0
205.88593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.75265	0.7
55.05518	3.6
56.96547	0.7
57.07059	0.7
60.04501	1.5
64.38245	0.6
67.05176	1.1
67.05505	12.2
69.07069	5.9
71.01043	1.8
79.05487	5.2
81.06586	1.0
81.07059	19.3
83.08613	2.4
84.04475	1.2
85.02878	0.6
91.05479	10.1
93.07041	17.4
95.08608	46.9
97.10141	1.4
105.07034	31.1
107.08591	26.5
109.06541	0.6
109.10156	32.3
117.07024	1.2
119.08580	26.0
121.10149	11.6
123.11730	4.9
125.09496	0.7
126.05526	2.1
131.08557	1.0
133.10138	19.5
135.11700	1.9
142.76163	0.7
145.10104	1.6
147.11688	38.1
159.08131	0.7
159.11681	1.0
161.13260	14.4
168.06549	0.7
172.81731	0.6
175.14850	9.1
179.89384	0.7
203.05086	0.7
203.07048	1.0
203.10603	2.6
203.14340	3.5
203.17957	100.0
204.08659	1.7
204.18321	1.5
217.14694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03939	1.2
55.05515	9.7
57.07059	2.5
60.04513	1.7
60.08572	0.8
67.05502	9.8
69.07071	9.5
71.26740	1.5
79.05479	5.0
81.06647	1.4
81.07063	14.8
83.08604	4.1
84.04482	2.5
91.05482	11.9
93.07049	9.4
95.08607	41.4
96.04515	1.2
97.02892	1.7
97.10164	3.1
98.06072	0.9
105.07034	37.5
107.08593	23.0
109.10160	24.1
115.03630	0.9
117.06991	1.5
119.08582	53.9
121.10136	14.2
123.11720	2.9
125.09632	1.0
126.05484	2.5
129.07030	1.3
131.08540	3.6
133.10132	55.9
135.11681	3.1
141.84949	1.0
143.08580	1.5
145.10115	9.0
147.11688	37.7
157.10057	1.2
159.11676	3.7
160.12466	2.3
161.08228	1.1
161.09555	2.1
161.13242	19.8
174.14047	1.7
175.14816	7.6
180.09911	0.9
185.13341	1.6
191.05867	0.9
203.05341	1.3
203.07047	2.8
203.10641	2.2
203.14275	4.1
203.17957	100.0
204.08646	2.2
204.13780	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.54668	0.9
53.03949	1.1
55.05514	12.4
55.20665	1.0
56.96572	9.0
57.07072	5.0
58.34177	1.0
60.04515	1.6
60.84014	1.0
65.03937	1.1
67.05514	15.3
69.07072	17.4
70.98112	3.7
71.08621	1.5
71.56895	1.6
79.05494	9.2
81.06587	1.7
81.07059	30.5
83.04983	1.6
83.08623	7.4
84.04498	1.7
88.99125	1.0
91.05487	15.5
93.07044	16.7
93.85382	0.9
95.08611	33.1
97.10149	7.3
98.97593	1.3
100.02476	2.4
103.05449	1.2
105.07036	85.5
107.08595	23.2
109.10155	27.7
117.06993	4.4
118.03515	1.3
119.08587	44.2
121.10139	18.9
123.11710	5.2
125.09631	4.0
125.70252	1.0
126.05494	1.8
129.06978	1.5
131.08539	3.6
133.10138	43.4
135.08061	2.1
135.11682	4.0
143.08516	2.4
145.10114	6.0
147.11691	71.9
157.10110	1.5
159.11702	2.2
160.12454	3.0
161.09612	2.9
161.13272	24.1
168.57806	1.3
175.11272	1.0
175.14864	10.7
179.97937	1.5
185.09669	1.6
185.13223	1.8
188.08385	1.0
197.01714	1.1
197.99281	1.1
203.07088	2.7
203.10698	4.5
203.14403	9.7
203.17966	100.0
204.08664	1.5
204.13882	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40737	0.4
56.36134	0.5
56.96551	1.0
69.81737	1.3
69.82121	0.9
82.01447	1.3
82.99830	4.3
83.99923	1.5
98.20781	0.7
98.97574	2.3
100.02480	2.0
100.97236	0.6
100.97948	0.7
101.00879	41.6
101.97198	2.2
102.00944	16.3
102.96856	4.0
103.00632	0.8
111.31903	0.5
113.00870	0.8
116.98637	1.2
119.01918	100.0
119.98253	1.2
120.02004	36.3
120.97925	1.7
121.01654	2.2
124.02441	0.7
125.02573	1.5
131.01903	1.2
134.99664	0.6
137.02954	20.3
138.03038	7.6
139.02536	0.8
142.03485	4.9
143.01993	2.5
143.03618	21.3
156.97513	0.6
157.03481	2.2
160.04614	1.0
161.02969	23.4
161.04666	5.1
162.03093	15.2
173.02975	0.8
179.04008	25.2
179.97870	0.8
180.04123	19.8
181.52835	0.8
184.03070	0.6
184.04521	0.6
185.04712	1.3
191.04086	0.5
193.03625	0.9
197.99115	0.9
203.02338	0.7
203.04039	1.0
203.05728	0.9
221.01851	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.7
56.05037	66.5
56.96566	4.0
57.03178	0.6
57.03429	2.8
57.07072	2.1
58.06609	1.4
60.04507	0.7
61.02919	0.6
67.05504	2.0
68.05025	1.2
69.03421	0.9
69.07069	8.2
70.06599	2.9
70.07404	0.9
71.08620	0.7
71.56333	0.8
74.02443	6.1
74.06087	7.3
79.05496	1.2
81.07060	2.2
82.06600	0.8
82.07388	0.5
83.08620	8.5
84.04505	7.4
84.08146	1.3
85.02895	0.7
86.06063	4.0
87.04482	1.5
88.03995	2.0
89.38550	0.5
90.23203	0.5
91.05508	1.0
93.07054	1.9
95.04986	0.8
95.08605	4.9
96.08157	0.6
97.02890	1.1
98.09724	0.7
98.97590	12.6
99.04422	0.8
100.07611	0.7
101.95021	1.0
102.05544	100.0
105.07039	1.0
107.08585	1.5
109.10206	1.0
109.45084	0.5
110.01225	0.9
110.09719	0.7
110.97550	0.7
112.11243	6.6
114.05518	0.6
116.98637	4.4
118.07413	0.6
118.98227	1.0
119.01871	1.8
119.04973	1.2
119.08563	1.0
120.36489	0.5
121.10169	0.7
124.11299	0.6
128.02353	1.3
128.98479	0.5
130.06508	0.7
133.10106	0.6
134.99603	1.3
137.02925	1.0
137.05972	0.6
138.12790	3.3
140.10710	1.6
140.14366	1.2
143.01953	0.9
146.10469	1.6
156.13841	21.6
158.11769	19.7
158.13025	1.2
158.99678	3.9
159.11694	0.9
160.09586	0.8
160.12021	1.7
161.03029	1.3
167.10663	1.1
172.07506	5.0
172.57632	1.1
174.09142	2.5
177.00714	4.1
181.08035	9.8
181.58179	1.7
184.13387	1.6
192.58844	2.3
193.09583	1.5
199.62831	0.7
200.92052	0.6
202.08737	1.5
202.10727	1.2
202.14386	37.4
202.16589	2.6
203.10783	0.8
203.18011	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	201.1121
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
53.47304	3.3
53.76929	3.0
55.01862	5.9
55.05511	8.9
56.96572	4.7
57.03425	5.8
60.04519	4.3
67.05511	43.0
68.33654	3.2
69.03422	5.1
69.04048	3.9
69.07056	10.8
69.69122	16.7
70.06590	4.6
71.04980	6.0
79.05500	12.7
81.07048	36.6
85.71519	3.5
86.09703	15.7
91.05479	14.4
93.07066	10.2
95.04969	7.1
95.08585	17.0
97.06538	8.8
98.97598	31.2
99.04455	5.9
99.08070	4.6
99.97910	8.1
105.07046	5.7
107.04887	3.5
107.08625	9.2
109.06516	7.4
109.10159	100.0
115.05453	6.1
116.98625	5.2
117.07037	5.7
119.04935	6.2
119.08570	11.0
121.06498	4.2
121.10146	6.7
123.04431	3.5
123.11680	5.0
125.06013	15.9
127.03904	7.7
128.02318	4.5
129.07056	4.2
131.08543	6.7
135.04411	3.5
136.05219	13.5
137.05988	24.4
137.09621	78.1
139.11172	3.3
143.08598	3.1
145.06526	7.9
145.10098	8.7
155.07155	3.3
155.08559	5.3
155.10670	29.3
158.03664	5.3
159.11713	12.3
165.09102	19.0
170.58167	3.7
173.05945	8.6
177.05434	4.3
177.98091	5.0
183.10185	11.2
184.08080	25.9
184.58232	4.4
186.11505	11.5
192.59418	28.0
201.05551	18.2
201.09134	19.8
201.10831	6.1
201.14044	5.8
201.16350	13.4
216.32001	3.7
217.91904	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	202.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	0.9
71.00824	1.5
71.22148	0.7
75.56463	0.6
82.99830	6.1
86.09058	0.7
98.97572	6.2
99.97933	0.7
100.97180	5.9
100.97995	3.9
101.00883	54.4
106.88657	0.7
116.98624	3.5
118.98202	2.6
118.99075	2.1
119.01921	100.0
122.41955	0.7
124.02471	6.8
137.02950	16.3
142.03502	49.0
143.01932	2.4
157.23741	0.7
160.04535	9.9
161.02956	34.7
165.05118	0.7
179.04012	44.7
184.04578	2.1
190.49608	0.9
199.50084	1.9
202.05574	1.2
220.02057	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78986	0.3
54.98637	0.3
56.96570	4.8
71.00547	0.7
71.95277	1.5
82.19379	0.3
98.97588	100.0
99.97945	0.3
116.98625	40.8
134.99669	10.2
135.00505	0.2
140.00211	2.0
153.00685	0.6
158.01256	1.7
158.99608	0.6
174.49916	0.3
177.00734	3.4
195.01807	1.6
199.18840	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02438	0.3
52.02693	0.3
56.96299	0.4
56.96567	6.2
57.03434	0.5
59.21215	0.3
63.60191	0.3
69.03421	0.4
69.07051	0.3
70.90770	0.5
70.91109	0.5
71.95263	1.4
72.33059	0.3
73.02909	0.5
81.07073	0.3
84.96046	0.4
85.02911	1.0
86.06086	0.7
87.04464	1.3
97.02888	0.4
97.06514	0.7
98.97588	100.0
99.08067	0.3
110.97605	0.5
114.09163	0.5
114.12181	0.3
116.98624	38.5
127.03915	0.3
128.98616	0.4
134.99666	8.6
135.00679	0.6
138.08998	0.3
139.03868	0.3
140.00180	2.4
140.02342	0.3
153.00739	0.4
158.01288	1.7
158.99680	1.3
170.99667	0.4
176.02167	0.3
177.00737	3.5
177.02205	0.5
189.00838	0.4
195.01747	2.0
200.04103	0.5
200.12859	1.2
211.02811	0.5
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
51.29214	1.7
53.03934	3.3
55.01883	3.9
55.05514	27.5
56.96554	5.3
57.03438	24.3
57.07065	6.0
67.05504	66.2
68.42404	1.7
69.03416	3.3
69.07066	40.9
69.23642	11.2
69.24048	5.2
71.01353	9.7
71.04990	6.4
72.04504	2.9
73.55785	1.5
74.09710	18.6
77.00904	2.0
79.05492	64.4
81.03426	9.4
81.07054	36.4
83.04976	21.8
83.08601	8.7
85.06539	6.3
91.05487	24.0
93.07044	66.9
95.04969	6.6
95.08610	13.1
97.06532	20.7
97.10168	9.6
98.21611	2.2
98.97593	14.4
99.08098	3.9
100.02483	1.9
100.07612	7.4
105.07033	8.9
107.08595	42.3
109.06527	2.1
109.10159	6.4
111.08106	1.9
111.11725	7.0
116.97235	5.5
116.98621	6.9
117.07030	8.1
119.08562	10.6
121.06526	2.4
121.10143	12.5
125.05258	1.9
125.07127	1.7
128.06259	2.0
129.07021	5.9
131.08585	5.7
133.10132	7.2
135.08099	1.9
135.11690	100.0
137.09610	1.9
142.07794	4.6
143.08604	9.2
145.10115	15.1
146.07574	2.8
155.08447	2.1
157.10143	14.1
158.09399	3.9
163.11192	10.8
167.09959	8.5
170.62633	2.1
171.11682	6.9
173.06592	1.8
175.58975	3.6
175.98552	2.5
176.02344	3.4
176.10452	5.4
178.60791	1.9
178.68016	1.8
181.12212	10.5
199.11165	3.4
199.14888	29.1
199.18896	83.4
201.09879	1.8
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	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.03934	4.3
55.01858	4.8
55.05509	22.2
56.05025	2.8
56.96555	6.9
57.03435	26.5
57.07064	6.3
65.03921	1.9
67.05503	77.8
69.07066	31.6
71.01359	10.2
71.04986	6.9
71.57008	2.7
72.04510	2.2
73.19376	1.5
74.09708	12.6
77.00899	2.4
79.05492	69.0
81.03422	9.5
81.07056	40.2
83.04979	20.6
83.08620	10.8
84.08891	1.7
85.02896	2.5
85.06551	5.0
91.05484	30.5
93.07041	72.1
95.04964	5.5
95.08598	13.7
97.06532	22.3
97.10167	12.3
98.97578	12.0
100.07604	2.9
105.04509	1.8
105.07032	9.1
107.04967	2.1
107.08591	47.8
109.06503	2.5
109.10161	5.9
111.08072	3.7
111.11715	2.1
116.97244	4.9
116.98642	5.5
117.07021	19.0
119.08566	13.3
121.06562	2.7
121.10141	10.3
125.09599	2.7
128.06245	3.5
129.07014	9.8
131.08556	9.8
133.10132	6.0
135.08160	1.7
135.11694	100.0
137.09569	2.0
142.07828	5.1
143.08546	15.0
145.10135	20.2
146.07539	2.4
153.12750	3.1
157.10149	21.5
163.11179	12.1
166.58556	2.7
167.09949	3.9
169.10193	2.2
170.10803	1.7
171.11736	6.7
174.56401	1.6
175.59015	2.5
175.98578	4.8
176.10474	3.1
178.60704	3.9
181.12216	10.5
181.13689	1.4
184.12497	2.9
199.11116	3.4
199.14861	46.6
199.18883	61.6
200.95245	1.6
211.62433	1.6
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
51.02369	1.4
53.03945	3.8
55.01874	6.9
55.05266	2.2
55.05512	26.3
56.05033	2.9
56.96312	1.4
56.96557	6.0
57.03439	22.7
57.07058	4.3
59.05424	1.4
59.93156	1.2
65.03934	2.8
67.05503	71.3
68.03642	1.1
69.03432	1.8
69.07069	29.2
71.01358	10.4
71.04984	6.2
71.56654	1.0
71.57052	1.4
73.02912	1.1
74.09721	13.1
77.00896	1.7
79.05493	67.1
81.03413	9.2
81.07056	39.1
83.04984	24.9
83.08611	10.1
85.06550	5.8
91.05478	27.6
91.06018	2.0
91.53711	1.3
93.07045	75.5
95.01991	1.5
95.04968	6.1
95.08598	11.0
97.06536	23.9
97.10183	11.8
98.97596	12.7
99.08099	3.0
100.07616	4.2
105.04519	1.5
105.07040	8.9
107.04973	1.5
107.08597	43.6
109.06509	2.9
109.10166	6.1
111.04443	1.7
111.08102	3.5
111.11694	2.4
115.05480	1.5
116.97221	5.4
116.98641	5.2
117.07024	14.6
119.08566	12.0
120.06050	1.6
121.06496	2.9
121.10140	12.8
125.09637	2.1
128.06238	3.1
129.07027	8.2
130.07747	1.7
131.08586	9.9
133.10150	5.1
134.99706	2.6
135.11691	100.0
137.09601	2.9
137.58742	1.3
142.07820	4.1
143.08569	13.6
144.96439	1.1
145.10136	21.1
146.07631	1.4
147.58128	1.4
152.96953	1.4
153.12758	4.2
155.08583	1.8
156.09360	3.0
157.10135	22.4
158.09436	2.3
163.11205	10.8
166.58501	2.6
167.09993	3.9
169.10323	2.5
171.11708	7.6
173.06548	1.5
175.59073	3.5
175.98581	3.8
176.10522	3.5
178.09271	1.2
178.60750	2.6
181.12242	10.3
184.12502	2.4
184.59578	1.3
186.25308	1.1
199.11212	2.4
199.14867	42.0
199.18895	56.3
201.09677	1.6
219.10754	1.2
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	Gardendiol
Peak:m/z	Relative Intensity
53.03935	1.5
55.01624	1.1
55.01868	11.7
55.05503	6.5
56.54369	0.6
56.96555	1.1
57.03429	1.1
65.03938	1.9
67.05504	15.9
69.03432	12.2
69.07055	2.1
71.00029	1.2
71.04990	4.5
74.09719	1.5
79.05494	33.0
81.03403	1.1
81.07050	10.5
82.46876	0.6
83.04977	11.4
83.08624	0.9
91.05476	7.5
93.03382	0.8
93.07047	12.2
95.04968	40.5
95.08606	4.6
97.02874	1.5
97.06518	2.1
97.10187	1.4
98.97594	6.5
99.04465	3.6
105.07028	5.3
107.04977	3.1
107.08596	30.9
109.06508	10.1
109.10130	1.6
111.04447	8.2
111.08082	3.4
115.03915	5.7
115.05484	1.6
116.97230	1.5
116.98640	3.6
117.07006	9.8
119.06065	0.6
119.08567	2.4
121.06518	7.0
123.04432	31.0
123.08070	3.0
125.05986	2.0
125.09650	6.3
129.05476	7.2
133.06575	1.3
134.95822	0.7
135.08055	40.7
141.05461	100.0
141.09041	3.1
143.08507	1.1
145.06480	1.5
146.03151	1.1
151.07532	1.6
153.09103	14.8
163.07541	66.6
167.14172	0.7
169.08597	3.8
171.10159	1.9
175.98586	2.3
178.05864	1.3
181.08597	37.2
184.46956	0.6
187.09744	1.6
199.09657	6.9
199.14880	1.0
199.18869	11.7
211.33308	0.7
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	Gardendiol
Peak:m/z	Relative Intensity
53.03918	1.5
55.01628	1.2
55.01866	12.7
55.05512	7.8
56.96539	3.3
57.03418	1.6
57.07058	0.8
65.03914	2.5
67.05506	17.0
69.03085	0.9
69.03429	13.0
69.07047	3.4
70.99885	1.0
71.00206	1.4
71.04995	6.2
73.02911	0.7
74.09723	7.1
79.05495	32.4
80.88334	0.7
81.03392	1.4
81.06606	0.7
81.07058	11.5
83.04977	15.3
83.08614	4.5
85.06519	0.9
86.09679	1.2
91.05473	9.8
93.06486	1.0
93.07043	14.5
95.04971	42.1
95.08612	5.8
97.02901	1.4
97.06511	2.8
97.10130	2.1
98.97588	22.3
99.04474	5.3
100.07626	2.2
103.34503	0.7
105.07028	5.3
107.04939	2.8
107.08596	34.6
109.06516	11.9
109.10154	1.4
111.04443	10.8
111.08066	3.2
115.03941	5.8
115.05453	2.8
116.97245	7.3
116.98612	8.0
117.07011	11.0
119.08556	1.3
121.06509	8.0
121.10207	0.9
123.04431	31.3
123.08070	3.8
125.05984	3.1
125.09613	6.9
127.07583	0.9
128.10713	1.0
129.05490	8.8
131.99577	2.0
133.06519	1.8
134.95845	1.2
134.99698	3.6
135.08055	39.4
137.06041	0.8
139.07558	1.3
140.00165	1.2
140.04688	2.4
141.05466	100.0
141.09117	3.1
143.08577	1.1
145.06482	1.7
151.07549	1.8
152.96950	1.7
153.09109	16.2
153.10367	1.1
157.10159	0.9
157.97443	1.1
158.01224	1.5
161.02881	0.9
163.07547	70.9
169.03120	0.8
169.08662	2.6
171.10182	2.4
175.98535	5.7
176.02333	1.0
177.00787	1.2
177.05489	0.9
178.05806	1.4
181.08594	36.5
187.09654	1.3
199.09647	8.3
199.18906	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	197.1536
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
53.03944	1.4
55.01870	2.1
55.05514	28.5
57.03439	4.3
57.07066	3.5
59.69073	0.7
63.79660	0.7
65.89861	0.8
67.05506	27.9
69.03426	1.3
69.07067	27.8
70.55676	0.7
70.62907	1.5
70.63246	0.9
70.95866	1.7
71.04999	9.6
71.08623	1.3
72.93803	0.9
79.05489	18.4
81.03387	0.9
81.07056	77.5
82.24778	0.8
83.04983	6.8
83.08621	21.6
85.06547	11.1
87.04456	1.6
91.05481	18.3
93.07041	22.3
95.08607	100.0
96.82368	0.7
97.06532	19.5
97.10165	10.4
99.08108	5.6
101.06014	1.3
105.07034	28.3
107.08598	13.6
109.06488	4.0
109.10151	7.6
111.08053	5.0
111.98483	1.8
113.09672	1.9
115.07559	2.1
117.07022	2.3
119.08582	44.5
121.10136	15.2
123.08064	9.2
123.11705	0.8
127.07565	1.6
132.95847	3.6
133.10129	26.6
135.11691	28.2
137.09669	4.5
137.13258	27.2
139.98244	0.9
141.09132	2.9
150.96884	1.9
151.11250	1.1
151.14830	0.9
155.97444	3.5
161.13255	82.8
165.09108	0.8
173.98457	2.1
179.14310	51.3
192.07465	0.7
197.11713	2.2
197.13547	1.4
197.15347	14.3
198.18546	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	197.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.05508	1.0
55.44344	0.2
56.96559	0.7
57.03431	0.3
57.07071	0.3
60.63367	0.2
67.05506	10.8
69.07068	12.0
70.95866	1.8
70.98123	0.5
71.01346	0.2
71.04990	4.1
71.74866	0.2
72.93781	0.7
77.17616	0.2
79.05494	0.6
81.07057	3.5
83.05003	0.3
83.08598	0.7
85.06535	0.5
86.06051	0.2
88.96888	0.2
90.94811	0.2
91.05481	0.9
92.92083	0.2
93.07064	1.0
94.33659	0.2
95.04967	0.7
95.08617	1.1
97.10152	0.3
101.06003	0.3
105.07031	0.9
107.08585	1.8
109.10156	100.0
110.10493	0.8
111.98471	2.4
113.96374	0.4
119.08595	0.6
121.06482	0.2
122.32531	0.2
123.08041	0.3
123.11730	0.5
127.11189	17.7
129.99532	0.7
132.95833	5.0
133.10130	2.1
135.08011	0.2
135.11700	0.9
137.09630	0.5
139.07549	0.7
150.96892	3.8
151.11197	0.5
155.10646	0.7
155.97435	4.0
156.09328	0.2
161.09610	0.7
161.13275	0.3
173.11772	0.5
173.98485	4.6
179.10672	1.8
197.00064	0.5
197.08006	0.3
197.10019	0.4
197.11746	2.1
197.13275	0.5
198.11310	0.6
198.18520	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	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03955	1.0
55.01872	0.7
55.05514	2.4
55.13705	0.7
56.96574	1.2
57.07071	1.4
59.05008	2.2
65.03934	1.1
67.05506	5.6
69.03423	1.2
69.07064	2.6
69.38928	0.7
69.91402	0.7
70.95867	8.1
71.00630	1.2
71.04997	0.7
72.93806	3.4
77.03905	1.1
79.05484	5.9
81.07053	6.9
83.08609	1.1
85.02919	0.8
85.06550	1.3
91.05482	14.8
93.07046	20.1
93.07636	1.1
95.04969	7.2
95.08627	2.9
97.02864	0.8
97.06535	1.1
98.97596	0.9
100.05716	0.7
101.00891	1.4
103.05456	1.5
105.07030	29.2
107.04976	1.0
107.08595	61.2
109.06522	4.7
109.10152	6.9
111.04562	0.7
111.98483	9.3
112.19674	0.9
113.96454	0.8
117.07014	1.0
119.04940	1.0
119.06083	0.9
119.08582	7.9
121.06499	6.2
121.10133	1.7
123.04455	2.8
123.08057	1.2
123.11718	3.0
129.99519	2.7
131.08574	2.8
132.95844	16.2
133.06551	1.2
133.10130	56.5
135.08081	1.6
135.11693	57.0
137.06004	3.4
137.09596	4.9
141.06992	0.8
141.49420	0.6
143.01952	1.4
143.08540	1.1
146.07288	2.0
150.96910	14.8
151.03932	0.8
151.07584	0.8
151.11156	5.4
155.97420	15.1
161.02859	0.9
161.09625	32.3
169.10181	1.0
173.98494	14.9
179.10672	100.0
183.83675	0.7
197.00224	0.9
197.11731	95.6
198.11940	0.9
198.18555	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	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
55.01871	1.7
55.05501	2.9
57.07077	1.3
59.04992	2.8
65.03954	0.8
67.05499	5.3
69.03426	2.1
69.07061	1.9
69.80970	4.7
70.95865	14.6
71.04992	1.4
72.93784	7.8
73.02922	1.1
79.05489	5.8
81.07063	6.3
83.04969	1.5
85.06535	0.9
85.09489	0.7
88.96889	1.7
90.94814	1.1
91.05479	17.6
93.06471	1.3
93.07043	19.2
95.04968	8.4
95.08594	3.3
97.06566	0.9
99.04475	3.9
105.06292	1.3
105.07024	25.8
107.08595	56.6
109.06517	5.4
109.10159	6.9
111.98482	19.2
113.05991	1.1
113.96404	2.1
114.94811	1.3
119.04923	2.1
119.06042	0.7
119.08593	7.1
121.06516	5.0
121.10139	1.7
123.04414	2.3
123.08108	1.8
123.11699	1.8
125.05988	1.2
125.09680	1.0
129.99493	5.1
131.08566	1.6
132.95836	39.6
133.10133	60.2
135.08041	1.4
135.11694	53.4
137.05989	4.3
137.09616	5.6
143.01891	1.3
143.08556	1.8
146.07321	0.8
147.04404	5.6
150.96890	27.9
151.03877	2.0
151.07536	1.4
151.11172	6.1
155.97440	27.3
161.02963	1.2
161.09625	31.0
171.24272	0.8
173.98497	28.0
179.10672	100.0
190.67580	0.7
197.00119	1.4
197.11728	77.2
198.12056	1.3
198.18564	4.2
202.24745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03946	0.6
55.01868	1.2
55.05505	1.8
55.76045	0.5
56.96559	0.9
58.78273	0.6
59.04998	1.3
60.20033	0.5
61.02915	0.7
65.03939	0.9
67.05511	3.1
69.03436	1.7
69.07052	1.2
70.72842	1.7
70.95864	9.1
71.01323	0.6
71.04978	1.0
72.93784	4.4
73.02936	0.7
79.05495	4.3
79.15048	0.6
81.03423	0.9
81.07070	4.8
83.04968	0.6
88.96890	1.3
90.94826	1.0
91.05482	11.1
93.07050	11.9
95.04956	3.4
95.08611	3.3
97.02919	0.7
97.06532	1.6
98.97581	1.3
99.04423	0.7
105.07034	20.8
107.04945	0.8
107.08597	100.0
108.08922	0.8
109.06525	3.0
109.10153	5.4
111.04482	0.6
111.98488	11.8
113.06030	0.9
113.96404	1.6
117.07001	0.8
119.04939	1.2
119.06103	0.8
119.08587	8.2
121.06527	3.2
121.10139	4.7
123.04380	1.0
123.08045	1.1
123.11720	1.8
125.06025	1.2
128.06180	0.7
129.99538	3.2
131.08571	2.3
132.05667	0.7
132.95840	20.9
133.06503	1.5
133.10135	55.6
135.11696	14.6
137.05943	3.2
137.09613	3.7
139.07538	2.0
143.08595	1.3
146.07249	1.4
149.09618	2.5
150.96907	16.1
151.03944	0.9
151.07552	2.0
151.11206	9.5
155.97424	17.4
158.99611	0.6
161.01382	0.7
161.09618	16.8
167.10683	9.3
173.98506	20.3
179.10672	34.7
180.06720	0.6
195.72778	0.5
197.00153	1.3
197.11742	72.0
198.18578	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	195.138
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03936	8.3
55.01867	4.4
55.05513	29.3
55.73036	2.1
56.96559	7.1
57.03436	15.3
57.07064	6.2
65.03928	4.0
67.05504	39.4
69.03426	5.7
69.07074	56.2
70.57174	2.4
70.57520	6.8
71.04998	25.8
79.05494	62.3
81.03407	6.0
81.06586	3.8
81.07062	72.3
83.04984	7.1
83.08620	11.0
84.45483	2.3
85.06533	6.9
91.05486	42.9
93.07043	100.0
95.04986	13.6
95.08605	29.4
97.06527	9.9
103.05450	2.9
105.04549	4.4
105.07044	26.7
107.04968	10.4
107.08597	64.5
109.06507	18.4
109.10113	3.0
111.08080	3.4
115.05466	4.1
117.03402	2.3
117.07014	26.9
119.08584	22.3
121.06524	19.0
121.10137	16.9
123.08062	15.4
129.06990	3.6
130.07776	6.1
130.96280	2.8
131.00203	2.4
131.08575	34.2
133.02838	5.1
133.06482	14.3
133.10159	12.8
135.04393	5.8
135.08070	10.4
135.11696	21.4
144.09332	7.2
145.02849	7.0
149.09615	3.0
149.12158	2.9
149.13264	24.7
152.05966	2.5
153.05492	3.5
159.11696	25.7
163.03903	57.4
177.05473	7.8
177.12801	18.4
177.16397	3.2
195.06525	3.0
195.08159	2.9
195.11954	3.0
195.13792	12.8
195.15485	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03950	3.8
55.01876	4.3
55.05514	18.3
56.96561	1.7
57.03442	8.3
57.07074	2.7
65.03947	1.9
67.05506	67.4
69.03429	4.7
69.07067	20.2
69.81876	4.4
70.98109	1.0
71.01328	1.4
71.04990	6.4
73.02901	1.5
78.68522	0.8
79.05494	40.0
81.03421	21.3
81.03816	0.6
81.07059	100.0
83.04985	14.6
83.08624	11.0
85.02916	1.0
85.06534	4.4
91.05482	31.5
93.07044	58.6
95.04961	5.6
95.08611	28.9
95.09251	1.1
97.06531	12.9
97.10156	2.2
99.08102	2.8
105.04528	0.9
105.07018	11.9
107.04966	3.0
107.08595	28.5
109.06532	2.9
109.10157	3.0
111.08099	5.7
113.06004	0.7
113.09645	1.2
113.33620	0.8
115.05458	0.9
117.07012	11.8
119.08582	2.2
121.06520	6.8
121.10147	11.5
123.08109	0.8
123.11728	1.6
129.07051	0.9
131.08568	12.8
133.09122	1.0
133.10141	20.5
135.08087	2.7
135.11690	24.6
136.64745	0.9
147.11690	0.9
149.13268	24.6
151.11197	2.8
159.11697	17.4
163.03920	2.3
177.12752	12.7
177.16408	1.0
195.12007	1.9
195.13803	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03934	4.0
55.01860	4.2
55.05512	17.6
56.96549	3.0
57.03444	9.2
57.07058	3.8
65.03941	2.7
67.05505	71.3
69.03417	1.9
69.06732	1.7
69.07070	20.8
69.34286	4.4
69.34706	3.1
70.98097	3.6
71.01350	2.0
71.05000	5.9
72.87670	0.8
73.02912	2.4
79.05495	47.1
81.03422	19.7
81.07057	100.0
83.04980	16.3
83.08624	12.1
85.06532	5.0
91.04904	1.2
91.05480	30.2
93.07045	66.8
95.04977	5.4
95.08608	32.8
97.06525	15.7
97.10174	1.8
99.08073	3.2
105.04530	0.9
105.07027	11.0
106.18567	1.0
107.04940	1.9
107.08593	27.4
109.06500	2.5
109.10155	3.6
111.08099	7.5
113.09617	1.3
117.07017	14.1
119.08559	4.2
121.06490	10.0
121.10134	17.3
123.11674	1.5
131.08568	14.4
133.10135	20.0
135.08044	4.3
135.11696	26.6
142.06473	1.2
145.02838	1.7
145.10159	2.2
147.11679	0.9
149.09578	1.5
149.13252	25.3
151.11189	3.3
159.11700	17.1
160.07500	1.6
163.03951	2.6
163.11137	2.0
177.05463	1.7
177.12737	11.8
195.11996	1.6
195.13800	22.9
212.22269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02372	1.1
51.78118	0.7
53.03937	4.2
55.01871	4.0
55.05515	21.9
56.96555	1.8
57.03439	7.6
57.07074	2.8
59.04975	0.9
65.03945	1.8
67.05506	74.8
69.03429	2.5
69.07069	20.4
70.04969	3.5
71.01389	1.4
71.04992	6.6
71.95233	0.7
73.02896	1.1
77.03934	0.9
79.05494	46.9
81.02937	1.1
81.03420	23.9
81.07058	100.0
83.04984	17.0
83.08620	12.9
85.02888	1.4
85.06534	4.8
88.01811	0.8
89.06014	0.6
91.05482	33.5
93.07044	71.5
95.04977	6.9
95.08608	32.4
97.06546	14.0
97.10179	1.6
99.08112	2.9
101.06034	0.8
105.04507	1.0
105.07035	11.5
107.04959	4.0
107.08599	29.5
109.06506	3.4
109.10149	4.8
111.08083	7.7
113.06030	1.0
113.09708	1.3
113.10535	0.7
115.05507	0.9
117.07015	14.6
119.08567	4.3
121.06525	8.9
121.10148	17.0
123.08086	1.1
123.11726	2.0
125.09607	1.0
131.08575	14.6
133.09128	1.1
133.10132	19.9
133.11092	1.3
135.08070	4.6
135.11694	28.3
145.02898	0.9
145.10168	2.3
145.67331	0.7
147.11649	0.8
149.09685	1.4
149.13261	24.6
151.11214	3.2
153.09100	1.1
159.11696	19.2
160.07562	1.2
163.03923	2.9
163.11197	2.7
177.05501	1.0
177.12750	12.9
188.90440	0.8
195.13828	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02371	1.0
53.03956	4.8
55.01867	5.1
55.05513	20.8
56.96559	2.4
57.03440	8.0
57.07079	3.0
59.05011	0.6
63.83276	0.6
65.03939	3.1
67.05506	74.3
69.03429	2.4
69.07070	21.2
70.98119	0.6
71.01354	2.2
71.04987	7.2
71.56653	0.7
71.57043	1.0
73.02911	0.9
77.03913	1.3
79.05494	46.4
81.03420	23.6
81.07057	100.0
83.04981	18.2
83.08618	11.9
85.02905	1.5
85.06543	5.4
87.04478	1.1
91.05482	34.2
93.07047	66.9
94.07355	0.9
95.04973	6.9
95.08608	31.5
97.06532	14.4
97.10177	1.8
99.04482	0.9
99.08107	2.7
101.06027	0.9
105.04547	1.2
105.07027	11.6
107.04961	2.7
107.08597	30.4
109.06530	2.6
109.10143	4.5
111.08096	7.7
113.09646	1.1
115.05466	0.7
117.03455	0.7
117.07018	14.6
119.08593	5.8
121.06509	9.5
121.10149	20.8
123.08064	1.5
123.11726	2.3
125.09602	0.9
131.08566	16.6
133.10129	18.3
135.08083	4.2
135.11690	25.8
139.07558	1.2
139.11127	0.8
145.10126	2.8
147.11650	1.2
149.09619	1.5
149.13263	24.2
151.06989	0.8
151.11174	3.8
153.58482	0.6
154.68137	0.6
157.10152	0.8
158.09410	0.7
159.11702	21.3
163.03931	4.7
163.11212	3.3
167.14366	0.7
177.05516	1.9
177.12761	12.8
195.13814	24.3
195.17484	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03933	2.7
53.93048	0.8
55.01861	3.4
55.05509	18.3
56.96554	3.9
57.03442	5.8
57.07073	1.6
60.48244	0.9
65.03924	2.4
67.05504	69.2
69.03416	1.9
69.07067	21.4
70.34299	1.1
70.34631	2.2
70.98107	2.7
71.01352	2.2
71.04982	5.8
73.02903	1.0
77.03887	0.8
78.76878	0.8
79.05494	42.7
80.85694	0.8
81.03413	12.8
81.07056	100.0
82.14230	0.8
83.04972	9.9
83.08615	12.4
85.02904	1.8
85.06542	4.6
91.05479	34.4
93.07042	58.4
95.04982	5.3
95.08607	29.9
95.09138	0.7
97.06538	12.6
98.20763	1.1
99.04428	1.0
99.08089	2.3
105.04513	1.2
105.07033	12.4
107.04945	2.3
107.08595	26.5
109.06546	4.2
109.10125	3.6
109.87457	0.8
111.08083	6.8
113.06021	0.9
113.09665	1.2
115.05366	0.9
117.07014	15.0
119.08555	3.4
121.06515	6.2
121.10152	13.1
123.08097	1.9
123.11698	2.9
131.08572	14.9
133.10130	24.2
135.04387	1.1
135.08047	5.4
135.10706	1.5
135.11694	27.4
145.02779	1.7
147.11682	1.0
148.25247	1.0
149.09648	1.7
149.13271	24.6
151.11163	3.3
153.09062	1.8
153.57222	1.0
159.11684	18.7
160.07430	2.5
163.03902	6.4
171.58240	1.0
177.05418	1.6
177.09140	0.9
177.12755	12.5
180.09172	1.0
195.10083	1.2
195.11961	1.5
195.13803	26.9
195.15591	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03942	2.1
55.01873	3.7
55.05512	20.5
56.96555	1.7
57.03443	7.1
57.07071	3.2
62.51547	0.7
65.03938	2.0
67.05508	65.5
69.03423	2.5
69.07069	25.4
69.21983	7.8
70.98129	1.0
71.01358	2.1
71.04994	8.2
71.95268	1.7
73.02926	0.7
77.24696	0.8
79.05495	40.7
81.03421	16.9
81.07057	100.0
83.04985	14.2
83.08619	15.0
85.02889	1.9
85.06553	4.6
89.03949	0.8
89.06019	2.4
91.05482	27.2
93.07047	58.5
95.04985	6.1
95.08606	46.1
97.06534	12.0
97.10188	3.0
99.08102	4.3
103.05577	1.0
105.04525	1.0
105.07036	10.9
107.04964	1.9
107.08602	40.1
109.06533	2.6
109.10149	7.8
111.08089	6.2
113.09676	5.1
117.07008	11.2
119.08589	4.3
121.06493	7.1
121.10144	30.6
123.08133	1.2
123.11731	2.8
125.09641	1.8
127.07568	1.1
131.08571	14.3
133.02849	1.0
133.10138	18.5
135.04449	0.9
135.08080	3.8
135.11690	24.5
137.13229	3.9
139.11255	1.2
142.07419	1.2
145.02861	2.0
149.08287	1.0
149.09650	1.4
149.13274	23.7
151.11211	2.4
157.10065	1.1
159.11702	18.9
163.03900	10.1
165.07011	0.9
177.05504	2.9
177.12804	10.3
177.16396	39.9
195.06541	1.2
195.11967	2.2
195.13826	20.7
195.15694	2.6
195.17236	4.1
199.57935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03953	4.7
55.01863	3.3
55.05514	18.4
56.96564	5.5
57.03447	6.6
57.07072	2.3
61.26620	1.0
65.03928	2.2
67.05508	71.0
69.03432	4.7
69.06724	1.5
69.07069	20.4
69.43016	7.7
70.98106	2.6
71.01362	1.7
71.04995	8.7
71.08599	1.3
71.63245	1.0
71.95282	6.2
74.67683	1.0
79.05496	46.8
81.03419	21.0
81.07060	100.0
83.04984	16.6
83.08624	12.0
85.02885	2.4
85.06554	5.8
87.04459	1.2
89.03898	1.5
89.06023	4.6
91.05483	30.8
93.07047	66.3
95.04986	8.6
95.08612	38.4
97.06527	14.8
97.10141	1.2
99.04455	1.4
99.08135	1.4
100.02500	1.9
103.05489	1.2
105.04478	1.6
105.07034	12.2
107.04958	4.6
107.08598	31.3
109.06503	3.1
109.10162	7.3
109.54240	1.0
111.04462	1.1
111.08085	7.3
113.09638	1.7
117.03369	2.6
117.07021	11.2
119.08559	5.2
121.06505	9.6
121.10143	13.7
123.08086	1.7
123.11720	1.3
125.09624	1.8
127.29902	1.0
130.96227	1.3
131.00185	1.4
131.04872	1.3
131.08569	15.1
133.02795	1.7
133.10130	20.9
135.04384	5.4
135.08099	4.9
135.11700	35.3
139.11168	1.7
144.09364	1.2
145.02861	6.8
148.97345	1.1
149.01245	1.1
149.05972	3.6
149.09639	2.7
149.13266	25.7
151.06990	1.4
151.11217	2.9
153.09158	0.9
153.12801	1.1
159.11696	20.5
163.02571	1.6
163.03911	29.7
165.06999	2.9
176.09625	1.1
177.05478	9.5
177.12749	13.3
177.16446	2.8
180.09273	2.1
195.02905	3.9
195.06563	2.4
195.08368	1.4
195.10106	1.2
195.11702	8.0
195.13809	24.1
195.15691	3.3
195.17389	10.4
196.14159	1.0
198.43076	1.0
204.70116	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01875	0.6
55.05508	2.6
56.96560	3.1
57.03454	0.5
57.07076	1.4
57.14558	0.3
65.03929	0.5
67.05500	3.4
68.96317	0.5
68.99790	42.2
69.03436	1.6
69.07066	4.2
70.08340	1.9
71.04993	1.0
71.95288	0.5
79.05493	4.2
81.03443	1.2
81.07057	5.8
83.04978	4.1
83.08630	2.4
85.02910	0.5
85.06530	0.6
85.10182	16.9
89.03924	0.5
89.06046	0.5
91.05485	3.5
93.07035	4.3
94.01811	0.5
95.04962	1.2
95.08616	3.2
97.06544	2.6
97.10181	0.4
98.21259	0.7
103.02335	0.7
105.07037	1.2
107.04954	2.6
107.08599	12.7
109.06499	1.8
109.10192	2.2
109.98955	0.4
111.04446	2.5
111.08083	2.2
115.05477	0.4
117.03385	0.6
117.07008	0.7
119.08587	0.8
121.06479	0.9
121.10141	2.9
125.06003	0.5
125.09629	27.0
129.05748	0.6
130.96313	0.9
131.00130	0.5
131.08582	1.7
133.10150	1.2
134.04903	1.3
135.04407	1.1
135.08051	4.3
135.11652	2.3
137.05997	1.4
137.09587	0.6
139.07539	0.4
142.04646	0.6
143.05457	3.3
145.02821	2.2
148.97340	0.5
149.05998	1.1
149.09602	3.2
149.13234	1.0
151.05153	1.8
152.05933	3.0
153.09103	100.0
153.97897	0.7
154.09470	0.6
154.56229	0.4
155.07042	1.4
157.01688	0.7
159.11703	0.9
163.03926	2.3
163.07524	0.7
163.56703	0.7
167.08548	0.8
171.98943	1.0
175.02811	0.6
177.05432	3.7
177.09125	1.3
177.12714	1.2
177.16393	1.0
195.06491	1.1
195.08371	0.9
195.10159	24.6
195.13861	1.6
195.15659	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
53.03936	0.7
55.01877	0.7
55.05515	1.6
56.96568	4.8
57.03433	1.1
57.07071	0.7
60.04523	0.3
63.02378	0.5
65.03928	0.9
67.05506	2.5
68.96332	0.9
69.03441	1.5
69.06722	0.4
69.07073	3.8
69.93864	1.4
70.06595	0.5
71.04977	0.6
78.04713	0.7
79.05494	5.4
81.03420	1.3
81.07077	2.4
83.04975	0.7
83.08613	0.6
85.02914	1.4
86.53145	0.3
87.04521	0.3
89.03922	17.3
89.06023	0.5
91.05483	4.3
93.03400	0.8
93.07047	5.8
95.04968	1.5
95.08608	2.1
97.02883	0.8
97.06525	0.8
98.97581	4.5
99.04501	0.4
103.05483	1.7
105.07037	1.2
106.04189	1.6
107.04951	3.5
107.08606	4.5
109.02900	0.6
109.06519	1.0
109.10163	0.5
109.98942	0.9
110.97601	0.4
111.04437	1.3
111.08083	0.6
116.98615	1.3
117.03382	38.6
117.07008	2.1
119.01822	1.1
119.08598	0.5
121.06510	3.9
121.10168	2.6
123.11703	0.3
125.06005	1.3
125.09600	0.4
127.03984	0.4
127.50903	0.5
128.02299	2.1
130.96300	1.4
131.00156	0.4
131.04953	0.8
131.08586	1.8
131.49219	0.3
131.96707	0.4
133.10139	0.6
133.41855	0.4
134.03636	5.1
134.99684	0.4
135.02054	0.7
135.04437	6.0
135.08064	5.6
135.11678	1.8
137.02779	0.6
137.09619	0.8
137.13289	0.5
139.03894	0.3
139.07553	0.6
139.11139	0.3
142.04622	0.9
143.00186	0.4
145.02849	69.7
147.04373	0.5
148.97411	1.7
149.01196	0.4
149.05984	18.7
149.09604	4.0
149.13235	1.1
151.03340	0.5
151.05142	0.4
151.11206	0.4
153.05473	3.7
153.09087	0.7
153.97916	1.4
158.99718	1.9
159.11702	0.7
160.03897	0.6
161.01178	0.6
162.03137	1.5
163.03915	9.3
165.06909	0.4
167.07059	0.7
167.08519	0.4
171.54637	0.4
171.98933	1.4
175.06454	1.1
177.05472	100.0
177.12747	1.2
177.16360	1.3
178.05016	1.3
183.05965	1.9
183.07434	0.3
186.05396	1.7
192.06560	0.8
195.01140	0.7
195.02853	0.5
195.06502	2.8
195.08221	1.1
195.10118	4.9
195.11658	0.5
195.13713	0.7
195.15756	0.7
195.17387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
53.03953	1.5
55.01875	1.5
55.05515	3.0
56.96570	6.9
57.03432	2.0
57.07078	1.0
60.13042	0.3
61.02930	0.6
63.02380	0.4
65.03931	0.5
67.05495	1.8
68.96336	0.9
68.99806	0.4
69.03438	2.6
69.07069	5.5
70.06599	0.5
70.65551	1.3
71.05004	0.9
71.95242	0.6
73.02925	0.9
77.03938	0.5
78.04704	0.9
79.05488	6.4
81.01035	0.4
81.03410	1.7
81.07053	2.8
83.04996	0.9
83.08646	0.8
84.08148	0.6
85.02922	1.8
85.06544	0.6
85.23128	0.4
87.00971	0.4
87.66761	0.4
89.03913	17.0
91.05482	5.5
93.03415	0.8
93.07043	10.0
95.04958	1.9
95.08606	1.6
97.02898	2.4
97.06497	0.8
98.97584	8.1
100.02563	0.6
101.00762	0.5
103.05463	2.3
105.04418	0.4
105.07029	2.1
106.04186	1.5
107.04958	6.2
107.08598	8.3
109.02884	1.1
109.06543	1.0
109.10152	1.0
109.98946	1.3
110.01280	1.2
110.97558	0.7
111.04440	1.2
111.08080	1.2
112.00843	0.4
112.01749	0.4
115.05447	0.5
116.98627	2.6
117.03378	39.2
117.07005	3.9
119.01810	2.5
119.04969	0.6
119.08559	0.6
121.06494	5.7
121.10129	3.3
123.08054	0.6
125.06006	1.5
127.50893	0.6
128.02310	4.1
128.98604	0.9
130.96300	2.3
131.00191	0.5
131.04901	0.7
131.08556	3.4
133.06511	0.8
133.10109	0.5
134.03630	5.7
134.99638	0.6
135.04419	6.4
135.08061	9.2
135.11702	1.8
137.02849	1.0
137.09578	0.7
139.03893	0.5
141.05492	0.7
145.02844	70.6
146.99625	0.4
148.97362	1.8
149.05975	20.1
149.09612	7.8
149.13271	0.5
153.05473	2.9
153.09128	0.6
153.97876	1.1
157.05348	0.4
158.06029	0.6
158.99644	3.0
159.08020	0.6
159.11745	0.7
160.03929	0.6
161.01160	0.7
162.03127	1.4
163.03914	11.0
163.07547	1.1
165.06764	0.7
167.06966	1.3
171.98930	1.7
174.07249	1.5
175.06374	1.1
177.00673	1.5
177.05464	100.0
177.12675	1.2
177.16367	1.0
178.05867	0.4
183.05966	3.3
183.07648	0.8
183.56143	0.4
184.23331	0.5
186.05450	1.3
192.06497	1.4
192.56583	0.6
194.56761	0.5
195.02805	0.8
195.06541	2.2
195.08540	0.6
195.10173	8.5
195.11884	0.8
195.13745	1.0
195.15623	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1178
Annotation	Heliamine
Peak:m/z	Relative Intensity
52.89263	0.4
53.54566	0.4
56.96568	4.7
60.04530	1.7
64.72232	0.5
67.05511	0.7
69.03439	1.2
69.07085	0.6
70.21641	2.2
73.02927	0.8
81.03413	0.6
81.07072	0.7
85.02917	1.1
87.04478	2.0
89.15643	0.5
89.16462	0.5
91.05488	9.2
93.07061	0.5
95.06094	0.5
97.02924	1.1
98.97594	4.8
103.05410	0.6
107.04992	0.6
108.08131	2.9
110.14812	0.5
110.97587	1.2
112.07624	0.5
115.05467	1.7
116.06271	2.4
116.98661	0.6
117.99194	0.5
119.04978	0.9
123.04439	2.4
124.99173	0.7
127.04012	0.5
128.02251	0.7
129.06993	3.3
130.08684	1.3
131.01828	0.5
131.04903	2.4
131.08575	52.9
135.04422	0.9
137.05072	0.7
137.05971	3.5
138.36586	0.5
141.06996	4.6
143.00227	0.6
144.05721	6.0
148.05220	1.5
149.05981	3.7
149.09660	0.6
155.68929	0.5
156.03400	0.7
158.99722	1.7
159.08066	67.9
161.04652	0.5
161.54854	1.8
162.03601	1.0
162.06763	2.3
164.02274	0.5
165.09094	0.9
169.07632	2.7
170.99707	1.2
174.54483	0.5
177.00714	0.9
177.09119	100.0
186.04378	0.7
189.00676	1.2
189.65726	0.5
194.08147	2.2
194.11780	58.1
194.15495	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	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03936	2.3
55.01855	2.6
55.05512	32.8
56.96539	1.9
57.07072	4.7
59.04969	2.1
65.84739	2.0
67.05504	28.3
69.03441	8.5
69.07072	18.6
70.02438	7.9
71.04970	5.2
79.05497	11.3
81.03436	3.6
81.06589	2.9
81.07053	35.2
83.04986	33.3
83.08614	10.5
85.06545	6.4
91.05487	13.8
93.07057	20.0
95.04986	8.4
95.08608	46.9
97.06541	2.7
97.10142	4.1
98.97587	4.0
99.08088	4.4
103.05505	2.8
105.06385	2.9
105.07035	32.4
107.08597	36.6
109.06535	15.3
109.10159	86.5
111.08066	10.4
115.05416	2.2
118.04188	1.8
119.08580	57.2
121.09334	2.6
121.10141	32.0
122.07297	3.4
123.08073	66.0
123.11701	13.4
125.09630	5.2
131.08577	2.9
133.02843	4.3
133.06512	9.1
133.07382	1.9
133.10135	52.4
135.11696	75.3
137.05946	2.3
137.09613	50.6
138.10416	16.2
139.11203	3.1
147.11688	11.5
149.13242	13.0
151.11198	6.3
151.14853	12.9
157.10121	2.7
161.05998	11.8
162.01903	2.0
165.16383	3.2
175.11232	1.7
175.13297	3.5
175.14819	61.6
177.30974	1.7
178.02602	5.5
193.04961	21.9
193.08588	5.7
193.12219	7.6
193.15891	100.0
196.41359	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	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
51.02379	0.5
53.03922	2.3
55.01867	1.6
55.05513	6.2
56.96566	8.5
57.03437	1.1
57.07071	1.8
58.34167	0.4
59.05000	1.0
61.91746	0.5
62.21339	0.5
65.03937	1.7
67.05505	13.3
69.03423	1.8
69.07059	7.0
70.97841	0.5
70.98129	5.2
71.04990	5.3
71.56960	0.9
77.03909	0.9
79.05491	16.9
81.03416	11.4
81.07056	21.0
83.04994	2.8
83.08630	4.9
85.02877	0.5
85.06554	2.5
88.99158	1.9
91.04897	0.8
91.05478	22.4
93.07044	38.6
95.04968	8.7
95.08608	14.3
97.02881	1.2
97.06535	2.1
99.08082	1.3
103.05475	0.6
105.03391	0.7
105.04488	0.8
105.07027	21.5
107.00206	0.6
107.04951	2.2
107.08594	44.1
109.06515	6.6
109.10156	5.7
110.97587	1.1
111.08084	5.2
115.05461	1.3
117.07020	1.5
119.03691	0.5
119.04976	1.2
119.08581	30.3
120.09464	0.5
121.10147	5.2
122.03644	0.5
123.04448	0.9
123.08064	5.8
123.11700	4.9
125.06036	0.6
127.07549	1.1
128.98613	1.8
129.06987	3.5
131.08566	4.9
133.02859	1.9
133.06543	2.9
133.10130	47.2
134.10565	0.6
135.11690	100.0
136.12056	1.1
137.05978	1.4
137.09612	9.0
141.05667	1.0
142.06525	0.5
142.07788	1.2
145.10155	1.2
146.97417	0.6
146.99707	1.3
147.04372	0.7
147.08061	2.1
147.11687	10.4
149.02345	1.0
149.07246	0.8
149.09598	1.0
149.13290	0.7
150.03085	0.6
150.06186	5.3
151.11159	1.5
152.56483	0.8
157.10139	4.0
159.06757	2.2
160.56290	0.7
161.02280	1.1
161.05984	1.7
161.57002	2.0
165.05492	1.1
165.12781	1.7
172.56831	0.6
175.03931	0.8
175.11220	5.5
175.14825	39.1
178.02615	1.9
193.04980	10.9
193.08571	2.0
193.10345	1.1
193.12250	11.6
193.15884	23.8
194.15359	0.9
197.06667	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03936	1.2
55.05505	4.9
57.07070	3.5
57.37362	1.0
59.05000	1.4
59.96017	1.0
67.05511	9.7
67.62280	0.9
69.07060	8.8
69.81247	4.5
69.81651	2.1
71.60272	1.0
72.35111	1.1
79.05508	4.7
81.02993	1.4
81.03423	18.4
81.07047	9.6
83.04980	2.0
83.08618	4.5
83.69148	1.0
85.06551	2.4
91.05477	8.9
93.07036	9.7
95.04972	8.0
95.08053	1.9
95.08611	23.7
97.06520	2.0
105.07041	18.2
105.07708	2.0
107.08582	7.9
109.06517	3.4
109.10156	22.4
111.08091	1.5
115.05460	1.1
117.06943	1.9
119.08580	57.9
121.10167	6.0
123.08061	4.5
123.11656	1.3
129.06978	2.2
131.08569	2.2
133.06503	2.0
133.10129	63.7
135.11702	15.3
137.09624	9.9
140.76192	1.2
145.10086	3.7
147.11688	16.4
149.13261	4.6
151.14844	6.3
157.10027	1.2
159.11710	1.2
160.12425	1.8
161.05914	1.8
175.14824	100.0
178.02652	1.2
193.05000	3.6
193.08501	1.4
193.12233	2.6
193.15866	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	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
50.18077	0.6
53.03920	2.0
55.01843	0.8
55.05510	6.1
56.96545	0.7
57.03412	1.0
57.07069	4.6
65.03922	0.8
67.05182	1.0
67.05505	14.4
69.03405	1.6
69.07070	9.5
71.04971	2.1
79.05495	8.8
81.03416	25.6
81.07053	13.0
83.04967	2.1
83.08617	6.0
84.45464	0.5
85.06516	1.8
91.05476	11.6
93.07043	12.2
95.04967	11.3
95.08604	24.2
97.02870	1.4
97.06506	2.0
97.10165	0.9
99.08048	0.9
103.05416	0.7
105.07030	21.5
107.04926	2.3
107.08585	12.1
109.06518	2.9
109.10159	23.3
111.08047	1.6
115.05421	0.7
117.06982	1.9
119.04948	0.7
119.08579	57.1
121.06487	0.8
121.10146	7.0
123.08063	3.3
123.11697	1.7
125.09609	0.8
128.06239	0.8
129.06987	2.5
130.55336	0.6
131.08556	4.6
133.02788	1.0
133.06496	3.9
133.10129	70.5
134.10886	1.1
135.11693	21.1
137.05919	1.0
137.09615	9.2
142.07751	1.0
145.10101	4.6
147.08043	1.4
147.11691	18.8
149.02345	0.6
149.09618	1.8
149.13252	5.6
150.03134	0.9
151.11177	0.7
151.14824	6.2
157.10120	2.8
159.11591	0.6
160.12451	2.3
161.06009	2.8
175.11200	3.4
175.14819	100.0
176.15161	0.9
178.02643	3.6
179.03343	0.9
193.04953	6.5
193.08598	1.7
193.12227	4.8
193.15886	19.7
201.06163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03952	6.7
55.01621	0.9
55.01867	6.7
55.05509	11.1
56.96553	2.0
57.03443	6.6
60.61424	1.1
65.03951	2.6
67.05507	39.5
69.03442	2.3
69.07072	6.3
69.41861	6.9
71.04992	6.5
77.03932	1.3
79.05494	43.5
80.10717	0.9
81.03419	100.0
81.07056	28.1
83.04981	7.1
83.08616	12.0
85.02882	2.0
85.06528	2.6
91.05482	64.9
93.07044	40.4
95.04971	49.3
95.08610	9.2
97.02887	3.5
97.06547	6.2
97.10137	1.9
99.08088	1.9
103.05462	1.4
105.04522	1.3
105.07032	43.2
107.04955	12.1
107.08594	10.1
109.06523	7.8
109.10188	5.5
111.04433	3.2
111.08052	4.0
113.05996	1.0
113.84833	1.1
115.05458	3.3
117.07043	2.1
119.04918	2.5
119.08582	28.0
121.06496	2.6
121.10156	7.0
123.08065	3.1
123.11691	1.5
127.07497	1.1
128.06235	1.3
128.98659	1.1
129.07008	18.9
131.08571	19.7
133.02907	1.3
133.06480	7.7
133.10133	76.4
135.11658	7.2
137.09616	2.3
142.07771	4.2
145.05005	2.6
147.08070	7.6
147.11690	28.0
149.02357	1.9
149.09631	22.8
149.13248	1.4
150.03156	1.2
154.05573	1.8
157.10121	25.6
161.05992	3.8
165.05487	1.1
165.12791	1.7
175.11191	36.6
175.14825	6.5
178.02602	2.2
193.05009	9.6
193.08604	3.2
193.12248	37.9
193.15916	5.7
207.73351	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.21484	1.7
53.03938	5.6
55.01860	6.8
55.05516	13.7
56.96563	15.2
57.03427	7.4
57.07079	3.9
65.03940	3.0
67.05508	70.2
67.37733	1.8
69.03441	5.7
69.07070	18.8
70.98129	10.2
70.98460	1.9
71.04991	8.9
71.56230	3.0
71.62159	1.9
78.58687	2.0
79.05492	62.2
81.03416	30.0
81.07053	63.3
81.41570	2.0
83.04982	12.1
83.08625	10.2
85.06557	4.8
86.84217	2.1
91.05483	100.0
93.06469	4.2
93.07047	58.0
93.07633	3.6
95.04969	27.8
95.08620	30.4
97.02894	14.9
97.06105	1.7
97.06542	17.7
99.08080	4.2
101.21364	1.9
103.05457	5.3
104.08008	2.2
105.04503	2.5
105.07031	66.2
107.04938	9.3
107.08599	16.1
109.06535	18.9
109.10169	5.7
110.97526	2.4
111.04451	2.8
111.08079	4.6
113.05980	3.7
113.25754	1.9
115.05421	4.5
117.07001	3.3
119.04905	4.4
119.08588	51.8
121.10128	13.0
123.04403	2.4
123.08067	6.0
125.05990	2.9
128.98622	3.3
129.07007	23.3
131.08566	23.6
133.02835	4.8
133.06476	7.6
133.10130	75.4
134.04933	2.2
135.11673	4.9
137.05997	4.3
142.07747	6.3
143.05452	4.2
147.08070	9.1
147.11693	74.9
149.02396	4.8
149.05411	2.8
149.07213	3.8
149.09637	12.5
149.13237	2.5
150.06206	17.6
151.07526	2.1
151.11166	2.4
157.10141	39.8
158.07780	4.4
159.06737	6.7
161.02364	2.8
161.06047	4.0
161.57011	6.0
165.05460	2.5
165.12747	8.7
170.09616	2.4
175.11180	44.3
175.14847	5.1
178.02687	4.8
179.10152	3.1
185.04811	2.5
193.04971	28.7
193.08546	4.4
193.10419	4.4
193.12238	57.3
193.15744	4.8
194.15236	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.45935	0.6
51.02369	0.8
53.03951	9.0
55.01870	3.1
55.05515	7.6
56.96561	1.0
57.03429	1.2
59.05008	0.9
65.03938	2.2
67.05508	25.8
69.03426	1.1
69.07073	8.1
69.75282	1.8
69.75680	2.6
71.05002	9.0
73.06557	1.2
73.92799	0.6
77.03926	2.8
79.05496	57.8
79.10918	0.7
81.03422	31.2
81.07064	22.8
83.04981	6.7
83.08623	5.3
85.06540	2.8
87.04485	1.0
87.69585	0.7
91.05484	80.2
93.07047	100.0
95.04974	25.5
95.08624	3.5
97.02949	1.1
97.06540	2.5
105.04539	3.7
105.07035	34.2
107.04984	5.0
107.08633	4.6
109.06526	5.9
111.08077	1.2
113.06010	1.8
115.05464	1.9
117.07022	1.8
119.04944	0.7
119.08578	17.8
121.06490	1.3
121.10164	2.0
123.08108	0.9
127.07570	2.7
128.06215	1.2
129.07013	17.8
131.08577	19.6
133.06506	2.3
133.10135	74.6
135.11638	1.3
142.07768	4.4
145.10132	1.6
146.83737	0.7
147.08073	6.3
147.11690	18.9
149.09630	3.1
157.10129	26.2
165.12756	0.8
175.11188	16.2
193.04938	2.2
193.10463	1.2
193.12254	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	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03951	4.1
55.01873	7.0
55.05511	8.6
56.96564	6.4
57.03428	3.0
57.07078	0.7
62.00036	0.6
65.03938	3.2
67.05504	28.3
69.03444	3.6
69.07067	4.9
69.63159	4.0
71.04983	2.0
74.67506	0.7
79.05496	20.8
81.03419	100.0
81.07053	16.9
83.04981	4.8
83.08621	14.0
91.05485	21.5
93.07046	12.1
94.06568	3.8
95.04971	42.2
95.08624	4.6
95.72424	0.7
97.02897	2.8
97.06547	2.3
97.10174	1.9
98.97594	1.3
103.05476	2.3
105.04541	1.2
105.07033	23.2
107.04956	9.8
107.08582	6.5
107.52315	0.9
109.06504	3.3
109.10143	4.1
110.06054	3.0
110.97595	2.1
111.04447	1.2
111.08050	3.2
114.53110	1.0
115.05486	3.0
116.06242	0.9
117.07049	1.6
119.04965	2.3
119.08581	15.3
121.06544	3.1
121.10139	5.7
121.52131	0.7
122.06039	14.1
123.06890	1.1
123.08121	1.8
124.07572	2.0
128.06241	1.0
128.52870	1.2
128.98622	1.8
129.07016	7.9
131.04820	0.8
131.08574	8.6
133.02824	3.3
133.06499	10.2
133.10138	13.9
135.08142	1.0
135.11739	2.3
136.07594	5.6
137.06036	2.4
137.08557	1.3
137.09637	3.8
138.09138	7.8
139.00638	0.8
139.09436	0.8
142.07826	3.2
146.99690	1.2
147.01257	0.7
147.08073	5.2
147.11691	9.8
149.02386	2.0
149.09625	5.3
150.03105	1.4
150.05562	1.4
151.04636	3.4
151.07623	1.1
151.11223	1.5
151.14934	0.9
152.03499	0.7
157.10129	7.8
159.23514	0.7
160.05203	11.2
160.55449	1.8
161.02293	0.9
161.05972	9.1
163.04684	1.4
164.07185	1.0
165.00974	1.0
165.12799	1.7
166.01784	1.6
167.06032	2.1
169.05696	3.3
172.05153	9.7
172.06465	0.7
172.55402	3.0
175.07574	0.8
175.11169	10.0
175.14845	5.8
178.02637	7.3
180.03305	5.3
181.05724	44.6
181.55917	7.3
182.01283	1.5
183.01968	0.7
183.56013	1.4
184.02789	1.7
190.06252	20.1
190.56445	4.1
192.03302	1.5
192.56561	4.9
193.00443	0.8
193.04980	17.7
193.06764	1.4
193.08530	3.6
193.12225	14.8
193.15926	5.6
193.17711	1.7
194.04933	3.4
198.04420	6.2
200.02373	1.5
201.57042	1.6
208.02789	0.8
210.04323	1.2
212.05972	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	191.1796
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.74963	0.5
52.86629	0.5
53.03945	0.9
55.05511	7.6
57.07063	2.4
67.05509	8.2
69.07072	23.9
69.44230	1.8
69.44654	2.6
71.08656	0.9
79.05499	7.8
80.00967	0.5
80.31461	0.5
81.07061	10.7
83.04942	0.6
83.08620	8.8
85.06541	0.8
89.55576	0.6
91.05479	6.6
93.07049	30.4
95.04967	0.9
95.08614	51.0
96.25070	0.5
97.06511	0.6
97.10170	5.8
97.92711	0.5
103.05540	0.6
105.07023	4.5
107.04963	1.1
107.08602	35.9
108.90422	1.3
109.06511	1.9
109.10165	23.3
111.11684	1.5
117.06991	0.8
119.06107	0.6
119.08591	2.9
121.06505	0.7
121.10149	53.7
123.08098	0.8
123.11742	5.5
131.04912	1.1
131.08575	4.2
133.10133	3.2
135.04379	0.6
135.08052	2.4
135.11699	41.0
136.26453	0.7
145.10124	2.5
147.11646	2.7
149.09619	1.1
149.13254	10.3
150.02731	0.5
159.04372	1.3
163.07695	0.6
163.14833	1.4
167.05533	0.8
173.09479	0.9
173.13269	4.8
191.03450	0.8
191.07056	1.6
191.10666	3.5
191.14359	9.7
191.17957	100.0
205.67044	0.5
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
51.58094	0.6
53.03946	1.1
55.01853	0.6
55.05506	4.2
56.96558	1.2
57.03426	1.0
57.07061	1.4
59.04986	0.5
65.03940	0.6
66.19326	0.6
67.05508	4.8
69.03429	8.9
69.07072	5.8
69.12452	0.6
69.47842	1.8
69.48254	2.1
71.01747	0.4
71.04994	3.3
77.03905	0.5
79.05489	7.1
81.07059	5.3
81.49990	0.7
83.04977	8.1
83.08587	1.7
85.06522	2.8
91.05476	11.6
93.07041	12.2
95.04973	3.6
95.08614	5.1
97.06534	7.3
98.21540	0.9
98.45248	0.6
98.97622	0.9
103.05464	1.9
105.07027	22.1
107.04952	2.5
107.08591	31.7
109.06490	4.4
109.10168	2.7
115.05411	1.3
116.06236	1.2
117.06998	5.3
119.08578	8.8
121.06506	14.6
121.10135	13.5
123.08047	4.0
123.11703	1.4
128.06184	0.7
129.07018	2.5
130.07745	2.1
131.04916	1.6
131.08566	22.3
133.10124	60.7
135.04428	1.1
135.08054	12.5
135.11687	4.7
143.08559	3.9
144.09354	0.9
145.06398	0.5
145.10124	16.1
147.08037	1.0
147.11678	9.1
149.05992	2.4
149.09605	5.2
149.13261	8.9
155.08554	1.2
156.09273	0.7
158.07236	1.1
158.10930	7.3
159.04399	0.9
159.08006	1.0
161.09624	3.2
163.07562	1.1
163.11179	7.9
163.14824	2.3
173.09680	6.0
173.13257	31.7
176.11971	1.0
191.07114	2.7
191.10693	14.4
191.14296	100.0
192.14696	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.97201	0.9
53.03945	1.8
55.05528	4.8
56.96561	6.8
57.03419	1.1
57.07059	3.7
64.11095	0.9
67.05490	4.3
67.51050	1.1
69.03426	9.4
69.07074	11.8
70.79924	2.2
71.04977	4.2
79.05489	8.6
81.07061	7.0
83.04981	8.4
83.08600	2.6
85.06536	3.8
91.05486	16.2
93.07055	14.3
95.04945	2.6
95.08614	8.1
97.06522	7.7
97.99171	3.7
98.97583	1.7
99.08094	1.2
103.05431	2.2
105.07037	32.0
107.04949	1.6
107.08601	44.4
109.06517	6.3
109.10139	6.1
111.08075	1.4
115.05410	1.9
116.06275	1.1
117.07034	5.5
119.06046	0.9
119.08590	19.3
121.06512	6.6
121.10153	22.6
123.08092	8.1
123.11734	2.4
129.07031	2.3
130.07787	1.2
131.04893	3.0
131.07584	1.9
131.08574	36.4
133.10136	81.8
135.08072	15.9
135.11676	4.2
137.09612	1.2
140.92651	0.9
143.08556	4.8
144.09328	2.1
145.10135	16.9
147.11687	20.1
148.08949	1.1
149.05994	2.5
149.09621	6.1
149.13278	30.3
158.10925	10.1
159.04364	1.2
161.09634	3.2
161.13147	1.0
163.11133	2.2
163.14845	4.5
173.09608	1.7
173.13278	51.3
176.11990	1.7
178.98570	1.5
191.03328	1.6
191.06847	4.7
191.10712	4.8
191.14320	100.0
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
53.03952	2.0
53.78339	1.1
55.05497	2.9
57.03434	1.2
57.06458	0.9
57.07077	1.2
64.43639	0.8
65.03932	1.1
67.05191	1.0
67.05505	18.6
69.03418	3.1
69.07059	7.6
69.59021	6.8
71.04996	34.5
79.05495	10.0
81.07060	9.9
83.04958	3.3
83.08604	1.7
84.95437	0.9
85.06551	13.9
88.99337	0.9
91.05479	16.2
93.07037	15.0
95.04983	8.3
95.08608	13.6
97.06536	12.2
103.05450	1.1
105.07039	27.8
107.04944	3.7
107.08593	48.3
109.06519	38.3
109.10159	58.3
111.08061	3.0
116.06168	1.4
117.07027	4.6
119.06073	1.6
119.07838	1.0
119.08597	11.9
121.06488	4.0
121.10147	54.3
123.08071	26.9
129.07001	2.0
131.08572	33.6
133.07597	1.5
133.09117	1.6
133.10132	32.1
135.08058	46.2
135.11678	2.0
137.09563	1.6
143.08572	3.6
144.09361	1.7
145.10132	10.6
147.08080	1.3
147.11691	19.8
148.08847	1.3
149.09616	8.9
149.13266	14.0
158.10892	7.1
161.09586	1.4
163.11182	1.7
163.14775	2.3
173.13268	48.2
191.14307	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
53.60721	1.0
55.01867	1.3
55.05502	4.2
56.96551	4.1
57.07071	1.2
59.05001	1.3
67.05504	7.8
69.03420	4.3
69.07065	7.3
69.39819	7.9
69.69850	0.9
71.04997	15.3
79.05502	7.4
81.07063	9.9
83.04974	3.1
83.08605	1.7
85.06544	8.6
91.05477	13.3
93.07037	14.4
95.04982	6.1
95.08607	13.7
97.06538	17.2
103.05457	1.8
105.07037	20.0
107.04955	1.6
107.08604	33.6
109.06516	8.7
109.10166	6.0
111.08093	4.3
115.05449	1.2
117.07028	3.9
119.08581	10.1
121.06511	1.9
121.10146	36.3
123.08059	3.0
123.11702	1.0
131.04982	1.2
131.08582	15.0
133.10141	27.3
134.04895	2.9
135.08063	20.5
135.11674	3.5
143.05441	7.5
143.08553	3.4
144.09317	1.3
145.10120	8.4
146.05952	1.3
147.11694	17.4
149.09605	3.7
149.13263	17.9
150.06227	2.4
152.05945	4.0
158.10942	5.2
159.06749	1.9
163.11143	1.1
163.14771	2.1
168.07292	1.7
173.13258	29.5
176.11946	1.4
191.03413	5.1
191.07008	2.8
191.10777	4.7
191.14316	100.0
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
53.03933	0.6
55.01871	3.9
55.05510	1.4
56.96547	0.9
57.07057	1.0
59.04989	1.4
67.05499	1.8
69.03415	0.7
69.07067	11.8
71.04978	0.5
79.05489	2.3
81.07049	2.5
83.04969	1.5
83.08598	0.7
85.06521	0.3
91.05470	4.8
93.07040	11.1
95.04944	0.8
95.08599	3.4
97.06540	1.7
103.05434	0.7
105.07020	4.0
107.04283	0.2
107.04947	1.0
107.08597	9.0
109.06525	1.4
109.10150	1.9
115.05468	0.4
116.06209	0.3
117.07022	1.5
119.08576	3.1
121.06498	14.0
121.10141	7.6
123.08054	2.6
123.11759	0.3
129.07024	0.5
130.07716	0.3
131.00079	0.3
131.04919	0.9
131.08572	4.7
133.10123	6.3
135.08055	7.5
135.11685	3.3
137.09583	1.0
143.08551	0.8
144.47211	0.3
145.10124	3.0
147.11685	21.8
149.05997	0.4
149.09625	2.8
149.13252	7.3
158.10905	1.3
158.56163	0.3
159.04437	0.6
161.09618	4.7
162.10149	0.3
163.07495	0.6
163.11194	1.5
163.14835	1.0
173.09607	0.9
173.13258	9.3
176.12012	1.7
191.03441	1.0
191.07138	1.7
191.14302	100.0
192.14682	0.6
213.07860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.05518	7.1
57.03438	1.7
57.07066	2.6
59.05003	1.3
67.05503	7.6
69.03429	24.7
69.07075	8.0
69.69402	7.8
77.03915	2.1
79.05490	42.7
81.03419	2.0
81.07056	44.5
83.04983	12.7
91.05480	16.6
92.72825	1.1
93.07043	18.5
95.04974	3.4
95.08602	7.7
97.06522	3.0
105.04485	1.4
105.07036	16.8
107.04951	27.9
107.08596	73.3
109.06501	4.2
109.10167	8.1
111.08113	2.0
117.07008	2.7
119.08595	7.3
121.06501	10.0
121.10145	19.4
122.07335	2.2
122.54504	1.1
123.08050	3.0
124.96575	1.2
131.08580	10.5
133.10132	100.0
135.08057	10.9
135.11702	3.9
137.09616	22.6
143.08586	2.9
144.09302	1.7
145.10100	6.9
147.11612	5.8
149.09618	3.1
149.13268	14.6
158.10881	4.3
163.14795	3.8
168.23923	1.2
173.09720	1.1
173.13287	17.2
191.07063	1.8
191.10680	4.8
191.14301	68.1
191.17928	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03942	1.1
55.05516	3.6
56.96565	1.0
57.03433	0.5
57.07084	0.9
57.41399	0.3
60.97615	0.3
65.03947	0.5
67.05501	2.7
69.03432	7.6
69.03815	0.4
69.07075	3.7
70.90338	0.7
70.90681	0.4
71.04992	0.9
71.51550	0.4
79.05496	5.1
81.03442	0.7
81.07055	5.7
83.04977	2.3
83.08622	1.2
85.06541	0.6
91.05481	5.2
93.07048	4.8
95.04971	0.9
95.08601	1.9
97.06554	0.5
98.97592	0.7
103.05492	0.7
105.07035	10.1
107.04961	3.8
107.08597	17.1
109.06519	1.5
109.10159	6.6
115.05446	1.0
117.07009	1.3
118.07810	0.6
119.06074	0.4
119.08592	3.8
121.06505	1.3
121.10147	11.0
122.07288	2.8
123.08051	1.9
129.03824	0.6
129.06972	0.5
131.08568	4.9
133.10132	100.0
134.10393	0.3
135.08058	3.3
135.11720	2.3
137.09615	16.5
143.08549	1.5
145.10133	2.8
147.11641	2.7
148.08873	0.4
149.09616	1.7
149.13258	9.6
158.10915	2.6
161.09599	0.5
163.07487	0.4
163.14816	2.0
173.09616	0.7
173.13271	8.7
191.07002	0.5
191.10672	1.4
191.14304	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01865	3.9
55.05515	10.7
56.96552	4.9
57.03416	1.4
57.07072	2.9
59.04989	2.2
65.03940	1.2
67.05505	9.6
68.78615	1.0
68.84629	1.1
69.03426	12.6
69.07063	8.5
71.04987	7.7
77.03922	1.6
79.05493	18.8
79.32242	1.0
81.03391	1.2
81.07059	13.8
83.04988	10.1
83.08610	4.5
85.06525	3.2
91.05482	33.0
93.07045	40.8
95.04972	13.2
95.08601	8.1
96.05719	1.5
97.06538	12.2
103.05463	4.9
105.07033	70.7
107.04946	8.6
107.08597	46.0
109.06509	12.4
109.10164	8.9
111.08083	1.7
115.05455	5.4
116.06190	2.5
117.07023	18.1
119.04874	1.5
119.08578	19.6
121.05658	2.5
121.06509	38.1
121.09315	1.8
121.10147	24.9
123.08051	6.2
123.11690	3.0
128.06166	1.5
129.06984	7.1
130.07759	7.8
131.04904	5.7
131.08569	51.6
132.08891	1.1
133.06454	1.5
133.10132	88.4
135.04384	2.4
135.08054	27.3
135.11670	11.1
143.08557	9.3
144.09294	1.5
145.06474	3.1
145.10124	68.1
146.51717	1.4
147.04747	1.2
147.08026	3.1
147.11688	17.1
148.08850	1.5
149.01271	1.8
149.05992	12.2
149.09615	12.1
149.13283	11.4
155.08537	4.5
158.07280	4.3
158.10918	11.0
159.04427	4.2
161.09622	3.3
163.07515	2.7
163.11183	45.3
163.14816	3.6
173.09608	30.0
173.13257	45.5
176.12015	1.9
176.74310	1.1
191.03477	1.4
191.07141	6.4
191.10680	67.0
191.14304	100.0
213.42596	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.48750	0.5
55.05515	2.2
57.03424	0.6
57.07089	0.7
63.56779	0.6
67.05500	3.0
69.03436	6.3
69.07078	3.2
69.60065	3.6
71.04990	2.1
79.05488	2.9
81.07061	2.2
83.04989	6.1
83.08607	1.0
85.06553	1.8
91.05486	7.7
93.07045	5.5
95.04967	0.7
95.08618	3.2
97.06528	4.1
104.71246	0.5
105.07041	16.0
107.08599	22.1
109.06525	2.2
109.10168	2.3
111.08100	1.2
115.05525	0.8
117.07021	1.3
118.07791	0.6
119.08561	6.8
121.06512	2.1
121.10144	10.5
123.08073	4.3
123.11670	0.7
129.07037	1.7
131.08575	19.8
133.10135	84.3
135.08061	6.3
135.11678	1.1
136.08849	0.6
143.08553	3.1
144.09337	1.8
145.10127	7.9
147.11687	6.9
149.08560	0.6
149.09578	3.2
149.13271	7.1
158.10899	7.2
161.09621	2.2
163.11192	1.2
163.14796	1.5
167.02277	0.5
171.11638	0.6
173.13268	36.7
174.18494	0.5
176.11942	0.8
191.14314	100.0
192.14616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
55.01872	0.4
55.05509	2.6
57.07075	0.4
59.04996	0.7
67.05494	1.2
69.03087	0.6
69.03433	9.1
69.07072	3.6
69.74204	1.8
71.04979	0.4
79.05497	1.9
81.07053	1.9
83.04984	7.6
83.08610	0.9
85.06551	0.5
91.05481	3.6
91.26757	0.4
93.07043	2.8
95.04965	0.6
95.08614	1.8
97.06526	1.2
100.82982	0.3
101.67307	0.3
103.05444	0.6
105.07032	4.5
107.04959	0.6
107.07871	0.7
107.08598	13.5
109.06506	1.4
109.10147	0.8
117.07033	1.2
119.08587	3.8
121.06504	2.4
121.10139	7.0
123.08049	1.8
126.45972	0.3
129.07005	0.8
131.08568	5.8
133.10130	10.4
134.10828	0.4
135.08060	7.8
135.11674	1.3
136.08853	0.8
137.09590	0.5
143.08546	1.9
144.09319	0.6
145.10127	3.7
145.71899	0.3
147.11690	3.8
148.08786	0.4
149.09604	2.7
149.13286	2.9
158.10893	4.0
161.09628	2.9
163.14830	1.1
173.11768	0.5
173.13266	9.3
176.12067	1.6
191.14310	100.0
192.14650	0.5
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	Unknow
Peak:m/z	Relative Intensity
52.84852	1.0
53.03936	1.7
54.58571	1.0
55.01850	1.3
55.05509	5.7
57.03448	1.9
57.07064	3.0
59.04984	2.2
67.05513	6.8
68.66167	1.1
69.03435	6.6
69.07069	6.5
69.58475	6.1
69.58879	1.9
71.05009	5.2
76.16251	1.1
79.05499	9.0
79.07835	0.9
81.07058	9.0
83.04991	5.6
83.08617	2.8
85.06543	3.5
91.05487	21.9
93.07059	14.7
95.04958	3.5
95.08620	9.9
97.06525	6.1
103.05448	2.0
105.07033	40.9
107.04960	2.5
107.08602	33.0
109.06537	8.2
109.10165	6.2
111.08054	1.6
115.05430	1.5
116.06233	1.8
117.07050	7.7
119.08591	22.9
121.06516	5.9
121.10145	18.5
123.08079	7.7
123.11690	1.0
129.07042	5.6
130.07768	2.7
130.35391	1.1
131.04916	1.7
131.08575	66.9
133.10138	100.0
135.08054	15.9
135.11653	2.6
136.08849	1.1
143.08565	9.3
144.09343	5.3
145.06490	1.4
145.10127	33.2
147.08052	1.7
147.11690	20.3
148.08743	1.3
149.09610	7.8
149.13275	18.7
158.10910	16.1
161.09610	2.3
161.13254	2.8
163.07544	2.6
163.11171	3.4
163.14825	3.7
171.11742	2.5
173.09615	2.1
173.13271	70.9
176.12112	1.3
177.04134	1.4
191.07074	2.4
191.10728	11.4
191.14317	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	Schiffnerone B
Peak:m/z	Relative Intensity
53.03938	2.9
55.01880	10.1
55.05502	5.4
56.05845	1.6
56.96569	22.1
57.03420	2.4
57.07062	1.2
65.03950	2.5
67.05180	1.7
67.05508	25.4
69.03411	3.4
69.07057	5.7
70.20558	2.9
70.20959	2.0
70.98124	7.8
71.01355	1.9
71.04975	2.8
73.02916	1.4
75.35448	1.1
77.15714	1.1
78.38631	1.0
79.05495	37.7
81.03411	19.0
81.06589	1.6
81.07053	21.7
83.04981	8.0
83.08594	3.1
85.02883	4.5
86.99277	1.1
88.99144	1.9
91.05485	42.6
93.06477	2.3
93.07047	40.4
94.07380	1.8
95.04974	12.3
95.08598	5.1
97.02883	1.4
97.06528	8.2
97.10136	2.2
97.99213	1.3
98.10461	1.6
98.97549	1.4
101.86136	1.4
103.05455	3.7
105.07032	21.5
107.04223	1.1
107.04958	26.6
107.08598	33.9
108.08891	1.1
109.06527	12.0
109.10136	5.6
111.04427	4.2
115.05466	3.2
116.06233	1.4
116.55063	1.6
117.07022	24.1
119.04932	2.3
119.08577	22.0
121.06525	10.3
121.10141	29.5
123.08066	5.7
125.05991	1.6
128.06200	2.4
128.55090	1.6
129.07004	14.5
130.07793	3.9
131.04948	7.3
131.08563	45.5
132.96465	2.7
133.06470	3.0
133.10139	9.4
135.04443	1.7
135.08076	14.4
135.11673	22.2
141.96983	1.5
143.08578	4.1
144.05898	1.2
144.47211	2.1
144.56332	5.5
145.06517	6.2
145.10121	51.5
147.08052	40.0
147.11682	9.8
149.05957	1.6
149.09622	14.1
149.13287	3.5
150.06186	2.2
153.06929	3.3
153.47769	1.6
153.56888	3.8
155.08562	11.0
158.07283	1.9
158.10939	2.7
158.56142	2.1
159.04459	4.5
159.06720	1.9
159.08014	6.7
161.09641	2.1
163.07594	1.9
163.11183	72.9
167.56650	5.2
170.15083	1.2
170.83708	1.3
173.09624	59.1
173.13251	10.2
176.08118	1.2
181.12215	3.5
191.07201	8.1
191.10672	100.0
191.14297	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
52.96276	0.4
53.03949	1.8
54.29502	0.4
55.01870	1.8
55.05519	1.6
57.03437	0.7
57.07079	0.5
60.03630	0.5
67.05504	6.9
67.90586	0.6
69.03438	0.9
69.07077	0.9
70.03784	1.7
71.05003	2.4
73.62804	0.4
79.05492	13.8
81.03429	0.9
81.07056	3.3
83.04967	3.2
85.06550	0.9
91.05485	23.1
93.07044	8.3
95.04987	2.5
95.08595	2.5
96.05725	0.7
97.06519	1.0
97.15416	0.4
103.05470	1.7
105.04527	0.5
105.07032	16.3
107.04964	7.5
107.08599	10.4
109.06524	2.7
111.04442	0.6
115.05447	2.5
116.06223	2.8
117.07018	11.6
119.08584	14.6
121.06506	6.4
121.10135	5.7
123.04391	0.7
123.08064	1.3
125.06034	0.6
128.06250	1.0
129.07014	9.2
130.07791	3.8
131.04933	1.4
131.08568	100.0
132.05690	0.6
132.08879	0.7
133.06493	1.3
133.10123	5.1
135.04422	2.4
135.08047	4.2
135.11688	2.4
135.40826	0.5
143.08594	2.7
145.06490	5.7
145.10120	43.6
147.06934	0.9
147.08054	10.8
147.09204	0.7
147.11690	3.0
149.05983	2.1
149.09627	15.0
149.13268	1.4
155.08554	2.9
158.07294	1.1
158.10913	1.8
161.13304	0.8
163.07552	14.1
163.11194	6.4
163.14844	0.9
173.09633	20.6
173.13246	7.7
191.06998	1.7
191.10672	68.4
191.14275	8.2
192.10928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03950	1.4
54.78701	0.5
55.01861	3.2
55.05511	2.4
56.96555	1.1
57.03429	1.4
65.03931	1.0
67.05501	8.2
69.03432	2.1
69.07063	1.7
70.94867	1.3
71.04990	4.3
73.66161	0.5
76.38009	0.5
77.03906	0.8
77.90367	0.6
79.05492	15.8
81.03417	1.2
81.07048	6.1
83.04975	4.7
91.05482	27.1
93.07047	9.6
95.04955	4.6
95.08598	4.2
97.06525	2.3
103.05451	2.2
105.07030	17.1
107.04945	7.1
107.08598	11.9
108.05714	0.6
109.06537	4.1
109.10179	0.8
112.59674	0.6
115.05436	2.3
116.06206	3.2
117.07019	15.4
118.06441	0.6
119.08578	16.7
121.06510	7.3
121.10155	4.6
123.08080	1.0
128.06178	1.6
129.07007	11.6
130.07793	5.4
131.08563	100.0
132.08934	0.9
133.06493	1.6
133.10106	4.2
135.04462	2.7
135.08047	4.4
135.11687	2.0
137.05997	0.7
143.08559	2.7
145.06477	5.4
145.10118	47.7
147.08044	9.8
147.11708	4.6
149.06029	2.8
149.09622	16.1
153.07011	0.7
155.06108	0.6
155.08551	3.8
155.14355	0.6
158.10823	0.7
159.04356	0.8
160.05164	0.6
161.09601	0.9
163.07545	14.3
163.11168	6.0
163.14819	0.7
173.07181	1.1
173.09621	23.6
173.13225	3.9
191.06944	1.8
191.08392	2.8
191.10663	74.6
191.14246	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	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03932	2.9
55.01875	1.7
55.05511	13.2
55.11433	1.0
57.07065	0.9
61.02924	1.1
63.70399	0.9
65.03936	1.5
67.05180	1.6
67.05508	20.0
69.03429	8.4
69.07068	16.8
71.04971	1.2
71.56728	1.4
79.05495	19.0
81.03382	0.9
81.06589	1.1
81.07050	15.5
83.04980	5.2
83.08612	3.2
85.06513	1.4
91.05481	98.6
93.07045	14.0
95.08607	36.6
95.09094	0.8
97.06525	3.1
97.10179	2.3
99.04446	1.8
103.05460	3.5
104.06213	1.2
105.07030	63.8
107.04939	1.1
107.08591	18.5
109.10150	7.2
111.04388	1.9
115.05452	1.2
117.07027	10.3
118.04157	2.3
119.08582	76.9
121.06512	1.7
121.10129	7.0
123.11686	2.9
128.06183	1.3
129.03362	36.8
129.05464	5.5
129.07001	12.2
131.04910	4.9
131.08588	5.3
133.10130	55.4
135.11722	1.4
137.05972	1.0
143.08568	7.3
144.38493	0.9
145.10138	11.1
146.03641	2.6
146.10872	2.2
147.08064	2.4
147.11682	42.8
152.47733	0.9
156.09401	1.2
159.11632	1.7
160.12465	3.9
161.05960	8.1
161.13263	12.2
166.46223	1.0
171.11696	15.3
174.06833	1.2
189.05472	82.0
189.09119	3.4
189.12749	31.3
189.16382	100.0
190.16676	1.3
205.69217	1.0
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
50.02204	0.7
53.03917	0.7
55.05490	3.3
56.96548	1.2
57.03429	1.8
61.02905	0.7
65.03922	0.8
67.05483	0.9
69.03140	0.6
69.03432	7.1
69.07044	1.1
70.95264	1.6
71.04972	1.4
77.03944	0.9
77.24026	0.8
79.05480	2.8
79.54284	0.7
81.07069	1.2
83.04971	1.6
85.02888	1.4
91.05478	15.9
93.07018	1.0
93.38461	0.7
95.04959	1.6
95.08565	1.1
97.02930	0.8
97.06465	0.9
98.97546	1.1
103.05453	2.0
105.07038	12.0
106.96536	0.8
107.04960	10.7
107.08555	1.6
115.05454	1.8
117.07020	4.6
118.04156	3.3
119.04927	2.8
119.07790	1.3
119.08584	15.5
120.08083	2.8
120.44247	0.8
121.06467	0.9
128.06190	4.4
129.03383	14.8
129.07014	6.9
130.07790	3.8
131.04945	3.4
131.08582	6.2
131.25838	0.7
132.05710	0.8
133.06490	10.7
133.10117	6.9
135.04417	14.1
141.06998	5.7
143.08575	7.7
144.09280	2.2
145.06543	1.8
145.10117	18.2
146.03519	1.2
146.07254	1.2
146.10805	1.2
147.04413	61.1
147.08041	5.4
147.11691	13.0
155.08551	2.6
156.09352	43.1
157.06477	1.1
159.04355	0.8
159.08051	4.1
159.11685	14.5
160.05197	5.2
160.08867	1.7
161.05962	6.7
161.09593	4.6
161.13242	3.3
168.10202	1.7
171.08118	1.7
171.11691	59.3
174.06778	4.3
174.10423	7.2
189.05478	37.5
189.09119	47.8
189.12740	100.0
189.16402	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94367	0.6
69.03430	3.5
69.66276	4.1
79.05480	1.2
85.90754	0.7
91.05485	4.9
93.07030	1.4
105.07041	9.2
107.08609	1.4
115.05425	1.4
117.07009	4.1
119.04942	0.7
119.08593	15.3
121.10122	0.9
128.06216	2.0
129.03374	1.5
129.07014	2.2
130.07806	3.1
131.08572	4.7
133.06482	3.1
133.10147	3.8
141.06979	4.7
142.07755	1.4
143.08543	4.6
144.09331	2.1
145.06369	0.9
145.10138	17.9
145.11282	0.9
146.10915	1.3
147.04385	2.7
147.08058	5.0
147.11697	16.6
155.08568	1.4
156.09357	43.3
157.09853	0.6
159.08052	3.4
159.11690	12.2
160.08867	1.7
161.05869	0.9
161.09645	2.0
161.13243	3.1
171.11700	56.3
174.10400	6.9
189.05481	5.7
189.09120	3.3
189.12752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
54.62284	0.7
55.01881	4.7
55.05515	3.8
60.99542	0.8
61.02915	1.4
65.03918	1.5
67.05507	12.0
69.03429	4.9
69.07072	4.0
69.72668	2.1
69.73083	2.2
71.04978	1.5
71.76382	0.7
79.05495	13.6
81.03403	1.0
81.07063	7.2
83.04990	3.9
83.08622	1.0
85.06531	1.7
91.05482	71.1
93.07042	9.0
95.04960	1.7
95.08623	4.5
97.06529	3.9
98.21545	1.0
99.04480	1.1
103.05457	2.6
105.07039	26.8
106.96536	1.0
107.04955	3.7
107.08598	4.6
109.06467	0.8
111.04449	1.5
111.08096	1.4
115.05450	2.2
117.07020	10.7
118.04144	1.0
118.89745	0.9
119.08573	13.2
121.06498	2.9
121.10120	1.3
123.08066	1.2
128.06210	4.2
129.03363	16.6
129.05458	2.7
129.07007	31.6
130.07837	1.0
131.04904	1.4
131.08553	4.2
133.06451	1.7
133.10139	11.5
135.08070	1.2
141.06956	1.2
142.07797	1.3
143.08560	15.5
145.10126	20.2
146.03600	0.8
147.08078	7.6
147.11710	11.0
156.09328	2.9
159.11697	1.3
161.05972	3.9
161.09628	2.5
161.13258	10.3
171.11696	46.8
172.12082	1.1
172.14639	0.8
189.05472	38.1
189.09114	2.4
189.12747	100.0
190.13029	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01870	6.1
55.05502	3.6
56.71015	0.7
56.96535	1.1
57.03418	1.0
61.02903	1.0
61.03223	0.7
65.03931	1.3
67.05502	14.1
69.03426	3.6
69.07069	5.3
70.70197	1.8
70.70552	1.4
71.04953	1.3
75.55152	0.7
78.54845	0.7
79.05068	1.1
79.05489	14.2
81.07057	8.3
82.26178	0.8
83.04958	3.2
85.06503	1.4
87.51561	0.8
91.05479	64.7
93.07042	8.8
95.04952	3.3
95.08626	4.9
97.06514	3.8
98.21304	1.0
99.04408	0.8
103.05445	2.9
105.07027	32.5
106.96524	1.4
107.04994	3.8
107.08584	4.0
109.06544	1.2
111.04447	0.8
111.08028	1.1
115.05421	1.6
117.06214	1.2
117.07014	9.9
119.04901	0.8
119.08579	10.6
121.06487	3.2
121.10203	0.9
123.08035	1.0
128.06245	4.2
129.02422	1.3
129.03366	20.4
129.05472	1.7
129.07004	31.4
130.07814	1.8
131.04919	1.7
131.08524	3.1
133.06485	1.6
133.09258	1.0
133.10141	13.3
135.08041	1.4
136.94177	0.8
141.06972	1.0
143.08553	16.8
145.10120	22.6
147.08052	5.8
147.11687	9.8
156.09363	1.8
159.11684	1.6
161.05974	4.1
161.09595	2.9
161.13239	13.5
171.11687	53.4
189.05464	49.8
189.09091	2.7
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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.6
69.03435	5.6
71.07113	2.0
79.05492	2.3
81.83648	1.0
86.81093	0.8
91.05471	6.4
93.07019	1.4
95.04942	1.2
104.53178	0.9
105.07040	12.3
107.04948	3.9
107.08601	2.1
107.80639	0.9
109.06499	1.4
117.07011	2.3
119.08587	16.2
121.06481	1.2
121.10156	1.7
128.06215	3.2
129.03377	6.5
129.07004	3.2
130.07797	3.8
131.08575	6.0
133.06500	5.5
133.10135	7.2
135.04411	5.1
141.06976	6.2
143.08554	5.4
144.09323	1.0
145.06485	1.0
145.10126	18.7
146.10851	1.1
147.04402	16.1
147.08069	6.8
147.11682	15.0
155.08524	2.7
156.09346	40.0
159.08096	5.3
159.11699	12.7
160.05226	1.4
160.08810	1.5
161.06018	2.3
161.09637	3.2
161.13290	5.3
171.11690	54.9
173.09692	1.3
174.10393	10.8
184.87225	0.8
189.05492	14.2
189.09132	11.7
189.12743	100.0
190.13048	1.2
205.60291	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
51.02384	0.5
53.03938	1.1
55.01882	1.8
55.05520	2.3
56.96571	1.6
57.03437	9.0
61.02921	1.0
65.03934	0.7
66.34194	0.3
67.05495	1.7
68.99804	0.3
69.03431	5.5
69.07058	0.5
69.41204	1.1
69.41634	1.1
70.06587	1.3
71.04992	1.0
72.08167	0.4
72.41345	0.4
73.02910	0.7
77.03925	0.5
77.79675	0.3
78.03718	0.3
79.05496	4.6
81.03423	0.9
81.07071	1.6
83.01330	0.3
83.04981	2.3
83.08574	0.4
83.67101	0.3
85.02913	3.2
85.06553	0.4
86.09707	1.3
87.00809	0.5
91.05482	11.0
93.07034	1.7
94.06630	0.3
95.04960	1.3
95.08647	0.5
97.02898	0.9
97.06501	0.4
98.97610	1.7
99.04458	1.0
102.04668	0.4
103.05466	3.3
105.03378	0.4
105.07033	20.9
106.96574	0.9
107.04955	9.9
107.08601	0.7
109.06509	0.6
109.10190	0.5
111.04426	1.3
111.08114	0.4
115.05460	4.2
116.06308	0.3
116.98637	0.4
117.07020	2.0
118.04196	1.7
118.49107	0.3
119.04935	2.4
119.08584	4.3
120.05736	1.0
121.02878	0.4
121.06512	1.6
124.04637	0.6
124.97621	0.6
128.06227	11.9
128.98502	0.3
129.03369	25.3
129.05441	1.8
129.07008	2.5
130.07756	0.5
131.04944	4.5
131.08566	3.1
132.05728	3.0
133.06494	46.5
133.10115	6.4
134.06879	0.3
135.04443	2.5
135.08096	0.5
137.05942	0.4
141.07008	1.3
142.07776	0.4
142.98656	0.6
143.04907	0.7
143.08568	8.6
144.05666	0.5
145.02829	0.6
145.06480	2.4
145.10103	2.0
146.03584	1.7
146.06113	0.6
146.07253	4.3
146.99763	0.4
147.04413	11.1
147.05511	0.7
147.06293	0.6
147.07001	0.4
147.08043	2.8
147.11696	2.0
148.05359	0.3
153.06923	0.9
155.06020	0.8
156.09357	3.6
157.06456	0.4
159.04437	0.6
159.08072	2.0
159.09651	1.1
159.11696	0.8
160.05215	2.9
161.03006	0.5
161.05991	8.9
161.09631	15.9
161.13258	1.7
168.04344	0.5
168.10207	3.0
168.60329	0.7
171.08041	5.4
171.11700	3.3
174.06773	3.4
174.10445	1.3
189.05482	50.1
189.09103	100.0
189.12634	9.4
190.05931	0.6
190.09477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96316	0.4
56.96561	1.8
66.92081	0.4
66.98659	0.3
69.07063	0.4
69.85589	1.4
69.86007	0.6
70.06619	0.4
74.67450	0.4
82.40573	0.5
84.04505	0.7
85.02912	0.7
91.05474	3.1
98.97601	2.0
103.05511	0.6
110.01252	0.6
115.05442	3.9
117.05759	1.2
117.07025	3.4
118.06545	59.7
119.01840	1.2
128.02330	3.4
129.21263	0.4
137.02847	0.9
142.06525	5.1
143.07303	10.0
144.04443	1.1
144.08086	21.7
145.06454	0.5
146.06010	100.0
146.91875	0.4
147.06354	0.9
150.40643	0.4
155.06052	0.9
160.07553	0.7
167.04709	0.5
170.06018	7.8
176.05170	0.7
188.07072	29.1
189.05547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
55.01888	0.4
55.05510	0.7
56.96567	5.7
57.03439	0.4
61.02931	0.4
65.94463	0.3
68.73856	0.3
69.03442	1.7
69.07062	1.3
69.44923	1.9
70.06593	0.5
71.05009	0.4
73.02914	0.7
74.39612	0.3
81.03413	0.6
81.07056	0.6
82.06577	0.3
83.04954	0.4
84.04504	1.8
84.08167	0.5
85.02903	2.1
85.60645	0.4
87.04471	0.6
91.05469	3.4
95.00776	0.5
97.02898	1.8
97.51456	0.3
98.97594	3.9
99.04455	0.3
103.05482	0.5
110.01302	1.1
110.97603	0.9
115.05452	4.9
116.04934	0.4
116.98627	1.0
117.05762	1.4
117.07018	4.7
118.06543	58.2
119.01811	1.3
127.03941	0.4
128.02324	2.0
128.07083	0.5
128.98607	0.3
129.03395	0.7
132.08089	0.7
140.15979	0.3
142.06528	5.2
142.08649	0.3
143.03807	0.6
143.07301	10.7
144.04440	0.7
144.08089	23.9
145.06406	0.4
146.06010	100.0
146.91823	0.4
147.06424	0.5
155.06036	0.7
158.99638	0.9
160.07585	1.0
161.04851	1.2
168.10213	0.5
170.06015	8.5
174.73106	0.3
176.05193	3.5
176.55359	0.8
177.00644	0.6
182.85776	0.3
185.05717	1.5
185.55894	0.3
188.07069	29.6
189.00749	0.4
189.05756	1.5
189.07176	0.4
189.09120	0.8
207.05394	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
56.01237	0.3
67.82559	0.4
70.60457	1.3
70.89915	0.4
91.05470	3.4
98.97573	0.7
103.05454	0.6
110.01297	0.6
115.05463	4.5
117.05744	1.2
117.07024	4.2
118.06548	62.4
119.06878	0.4
121.40435	0.4
128.02286	0.9
128.04991	0.4
130.64539	0.4
132.08104	1.1
137.02769	0.6
142.06528	5.6
143.07309	10.6
144.04413	1.0
144.08090	23.9
146.06013	100.0
147.06407	0.6
155.06035	0.7
160.07576	1.5
168.10176	0.5
170.06013	8.7
177.70293	0.4
188.07074	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
55.01879	1.0
55.05514	11.5
56.96574	5.6
57.03447	3.0
57.07076	2.8
59.05005	6.6
65.03957	1.5
67.05508	100.0
69.03443	2.9
69.07068	2.7
71.05000	3.8
71.08616	0.7
79.05498	3.4
80.16742	0.7
81.03425	1.1
81.07063	14.3
83.08621	10.6
85.02904	1.0
85.06529	3.8
88.02220	5.0
91.05483	7.5
93.07051	4.5
95.04957	1.7
95.08616	8.5
97.02914	0.8
99.04472	0.7
99.08098	0.7
101.96320	1.3
104.99303	1.8
105.03407	1.4
105.07040	3.2
107.04959	0.7
107.08607	1.8
109.10162	96.8
110.96835	2.0
111.08095	2.8
117.07021	3.7
119.08589	9.4
119.97305	4.8
127.04002	1.4
127.13111	0.8
128.06235	0.7
128.97858	6.9
129.06978	1.0
130.07822	1.8
131.08548	6.0
131.48116	4.5
133.10121	1.1
137.09644	3.6
137.98349	1.9
140.48653	5.5
141.07004	2.4
142.98914	1.6
143.08574	3.5
144.09293	0.9
145.06480	1.3
145.10132	26.0
149.49236	1.3
151.99422	1.0
154.07794	1.0
155.10678	8.2
157.10124	1.3
158.10928	1.8
159.08122	1.4
159.10512	0.9
159.11688	4.9
159.46671	0.8
169.10147	3.3
172.08887	1.4
172.12503	2.5
173.11749	24.2
187.03897	1.5
187.07562	2.5
187.09512	1.0
187.11192	12.2
187.12796	1.5
187.14832	19.6
187.22490	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05534	0.8
56.96563	17.2
57.03467	1.9
58.60114	0.5
60.95852	5.1
61.01195	0.5
61.02959	1.7
64.99770	0.5
65.47696	0.5
66.00546	0.6
67.73104	0.5
69.03424	1.1
69.45507	3.2
70.98134	4.2
71.95280	0.8
73.02921	3.8
74.00287	1.1
75.01057	1.4
75.03318	0.5
75.94572	1.6
77.00880	0.6
81.03465	0.6
81.95120	0.5
82.99864	1.6
83.00831	0.9
83.04996	0.8
83.99880	4.1
84.01569	0.7
84.96034	0.7
84.99687	0.6
85.02895	3.6
86.51831	0.7
88.99166	1.0
89.00790	2.2
95.00757	1.3
95.01337	1.8
97.00526	0.7
97.02908	1.2
97.99181	1.3
98.01288	1.5
98.20779	1.1
98.97575	8.9
99.04476	0.7
100.51575	1.4
101.00881	19.8
101.95034	1.9
101.99830	1.0
102.00949	43.3
102.96870	88.6
103.00637	5.7
104.01305	1.9
106.01044	0.6
106.96557	1.8
108.01521	0.6
108.51308	1.0
109.00494	1.3
109.52016	0.8
110.01292	2.7
110.97578	3.1
111.00208	0.6
113.00874	0.6
115.02393	0.9
115.99427	1.6
116.00200	0.7
116.98617	3.2
117.01848	2.0
117.03990	1.2
117.51823	0.6
118.01071	2.4
118.91161	0.5
119.01917	42.4
120.02007	100.0
120.97904	40.1
120.98639	0.7
121.00861	0.7
121.01665	9.6
121.02451	1.0
121.52017	1.1
122.02410	0.6
123.00208	1.8
123.04417	0.6
124.95470	2.1
124.99128	0.8
124.99954	1.2
125.02556	2.9
126.00750	0.6
126.02188	0.9
127.01524	0.6
127.03883	1.6
128.98634	3.0
130.52643	0.5
131.00107	0.7
131.01865	1.5
132.00742	4.2
133.03395	0.6
134.02121	0.6
134.99666	1.0
137.02953	7.6
138.01987	0.9
138.03056	18.7
138.97093	0.5
138.97986	0.7
138.98935	11.0
139.00754	0.6
139.02623	1.6
140.00148	0.7
140.98560	1.2
141.00270	0.7
141.01251	7.7
141.51314	0.8
142.03520	4.7
142.96468	1.1
143.00067	1.0
143.01784	1.9
143.03638	27.9
143.51465	0.9
143.99525	3.0
144.01959	1.6
144.03197	8.1
144.04973	1.0
145.03386	1.1
146.99576	1.8
149.01143	0.6
150.01814	6.9
150.51881	0.9
152.52052	4.2
154.96480	0.8
156.99930	1.1
157.03481	3.3
158.96043	0.7
158.99557	1.4
159.05006	0.7
160.04465	0.7
160.97441	0.6
161.01625	0.6
161.02879	6.7
161.04610	5.6
161.52615	3.3
161.98228	0.7
162.00461	2.1
162.03088	15.8
162.04286	1.9
163.02661	1.2
164.03279	0.7
165.00627	0.7
172.97447	0.5
173.02934	1.1
174.99092	1.3
175.04410	0.9
179.03961	3.4
180.04123	18.6
181.03629	1.2
185.01192	0.7
185.02809	3.6
185.04333	1.0
189.00487	0.5
190.98503	0.7
193.00130	0.9
198.98247	0.5
203.03833	2.3
203.05602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	2.3
57.03411	0.4
61.02946	0.3
67.46762	0.3
70.07372	1.4
70.98129	0.4
73.02894	0.7
80.94965	0.6
82.43447	0.3
82.99838	6.6
85.02897	0.4
97.02886	0.4
98.21452	0.5
98.97592	1.9
101.00884	51.7
101.95040	4.5
101.97202	0.7
102.00945	0.3
102.96882	1.0
117.01891	0.5
119.01923	100.0
119.96082	0.8
120.02055	1.1
120.97903	0.6
121.97570	0.4
124.02448	3.7
127.04983	0.3
137.02960	17.7
138.48763	0.4
141.01259	0.5
142.03502	28.7
143.00124	0.5
143.01907	1.9
143.03604	1.5
160.04546	3.9
161.02957	16.8
165.96651	0.4
174.06296	0.3
179.04005	15.7
180.66736	0.4
181.52576	0.4
184.04628	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
65.28333	0.4
65.62845	0.4
70.36266	1.4
82.99844	6.6
85.29143	0.5
101.00886	52.0
102.00967	0.9
111.00452	0.7
119.01925	100.0
120.02023	1.5
124.02473	4.5
137.02966	16.5
141.64885	0.4
142.03505	31.2
143.01830	0.8
143.03625	0.9
160.04564	4.2
161.02957	17.3
161.04921	0.7
165.05110	0.5
179.04018	13.7
180.04153	0.5
184.04558	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.6
57.03442	0.9
61.02920	1.1
69.03418	0.8
70.98142	0.6
73.02908	1.3
74.97768	0.4
82.99841	6.6
85.02891	1.5
97.02889	1.0
98.97581	1.5
101.00883	53.4
101.95039	4.1
101.97190	0.6
102.00969	0.7
102.02377	0.4
102.96852	1.0
104.10736	1.2
107.93411	0.5
111.00353	0.6
115.02408	0.4
116.98615	0.7
119.01921	100.0
119.96060	0.9
120.02021	0.9
121.01691	0.5
122.04509	0.4
124.02455	4.5
124.95467	0.5
131.01843	0.5
133.03481	0.6
137.02962	14.8
137.04028	0.7
138.53523	0.7
142.03500	25.4
143.01889	3.1
143.03632	0.9
144.02023	0.8
145.03387	0.5
154.03830	0.5
156.02097	1.0
160.04578	3.2
161.02954	17.4
162.03070	0.7
165.05116	0.8
174.03032	0.7
179.04012	13.5
184.02898	0.4
184.04686	0.6
186.03218	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1016
Annotation	[(1R)-2,2,3-Trimethyl-5-oxocyclopent-3-enyl]acetate
Peak:m/z	Relative Intensity
50.54929	0.8
53.03942	2.2
55.01874	18.6
55.05513	6.2
56.96535	1.1
57.03429	2.9
57.07075	0.9
61.02924	0.8
63.50979	0.7
64.15565	0.8
65.03946	1.7
67.05505	44.8
69.03429	15.6
69.07060	2.9
70.49741	2.2
71.04990	6.2
79.05499	10.9
81.07057	38.4
83.04974	3.3
85.02901	2.1
85.06539	3.2
85.30595	0.7
88.27951	0.7
91.05471	3.0
93.07039	5.3
95.04969	9.4
95.08060	1.3
95.08615	18.3
97.06527	8.4
98.98452	0.9
99.04464	7.1
99.08102	2.6
105.03388	1.6
105.07050	0.9
107.04959	1.2
107.08587	2.4
109.06523	5.0
109.10160	100.0
111.04439	1.7
113.05992	5.7
119.08572	5.5
121.10155	4.0
123.04426	2.5
123.08056	4.6
125.05996	41.3
137.09621	51.9
139.07568	1.6
143.07054	2.7
147.06613	0.9
147.08107	1.3
153.09129	2.5
155.10670	5.1
160.04546	0.9
165.09126	28.2
172.19150	0.8
183.06645	1.2
183.10182	18.7
183.11792	1.1
183.19423	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01863	3.6
55.05516	9.0
57.03436	13.5
58.05342	1.2
61.02929	9.8
63.65783	0.9
64.88802	0.9
67.05505	3.8
69.03430	100.0
71.04987	4.9
71.56091	1.7
73.02917	3.4
76.02763	0.8
77.05946	0.9
81.03416	5.1
81.07048	1.8
83.02469	15.8
83.04982	21.4
84.65438	0.8
85.02908	18.1
85.64545	0.9
87.04471	7.5
91.05468	1.0
93.07089	1.1
95.04974	9.1
95.08623	2.4
98.07143	1.4
98.98465	4.5
99.04459	12.3
99.05544	2.1
101.03500	34.3
103.03941	3.6
105.03386	3.7
109.06425	2.3
109.10161	1.7
110.07147	1.5
111.04455	11.9
112.05102	1.3
117.05409	1.1
119.08537	1.2
123.04414	8.8
123.08028	2.0
124.05182	2.4
125.05959	1.0
128.15555	1.1
129.05490	9.7
137.05954	1.8
137.09605	1.2
139.07561	4.2
140.04689	1.3
141.07733	1.5
147.06544	5.8
155.07042	1.9
165.05461	1.2
165.07703	1.4
165.09135	2.4
183.06485	4.1
183.08914	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	183.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
54.24838	1.0
55.01868	4.5
55.05518	9.8
57.03440	14.0
57.04571	1.1
61.02924	10.8
67.05499	4.0
69.03435	100.0
70.60548	3.4
71.04978	5.7
73.02914	3.4
79.05479	1.9
81.03413	4.1
81.07053	3.3
83.02467	16.5
83.04986	23.0
85.02911	20.5
87.04481	10.1
91.03973	1.7
91.05466	1.3
93.03407	1.1
93.07010	1.3
95.04970	8.0
95.08639	3.3
97.62837	1.1
98.07173	2.0
98.98479	4.9
99.04458	14.1
99.05566	1.6
101.03506	29.4
103.03948	5.2
105.03371	6.1
105.04565	1.2
109.06489	1.5
109.10148	1.4
111.04436	11.0
111.09222	2.3
112.08737	1.6
119.08633	1.4
123.04446	10.5
123.07967	1.2
124.05196	3.6
125.05965	1.3
129.05507	8.4
137.05980	2.2
139.07535	4.2
140.04625	1.9
147.06514	6.2
155.07010	1.8
157.99623	1.3
165.05464	2.8
165.07704	1.3
165.09085	1.4
183.06580	6.3
183.08771	2.0
191.75140	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01870	3.9
55.05507	9.1
57.03436	12.4
57.04538	1.3
61.02927	10.8
61.59988	1.0
67.05505	3.8
67.05831	1.3
67.09862	0.9
68.89710	0.9
69.03431	100.0
71.03932	1.4
71.04995	6.0
73.02922	3.6
81.03434	4.7
81.07037	1.5
83.02464	12.7
83.04982	22.3
85.02426	1.8
85.02905	20.3
85.36252	1.0
86.06033	1.3
87.04476	8.6
91.03978	1.5
91.05450	1.8
95.04974	8.6
96.56670	0.9
98.07211	1.6
98.98479	3.5
99.04451	15.3
99.05534	1.6
99.94661	1.1
101.03502	28.4
103.03931	4.3
105.03388	3.4
109.06448	2.2
109.10168	1.3
111.04453	15.1
111.09177	1.2
112.05088	1.5
117.05483	1.2
123.04436	9.4
123.08031	1.4
124.05175	2.2
124.08688	1.1
126.06651	1.1
129.05481	11.4
137.05978	1.7
137.09592	1.7
139.07544	2.9
140.04663	1.3
141.07709	2.5
147.06549	6.2
155.07066	1.3
165.05461	1.5
165.07631	1.3
183.06554	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	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03941	5.9
54.09420	0.6
55.01874	7.6
55.05514	26.3
55.97215	0.7
57.03436	2.8
57.07082	1.9
59.04999	0.9
61.90001	0.6
65.03944	3.4
67.05506	100.0
69.03435	1.0
69.07069	16.1
71.04990	2.4
73.06551	0.8
77.03925	0.9
79.05496	64.8
81.03421	20.3
81.07059	91.2
83.04984	33.4
83.08620	16.8
85.06542	3.1
86.16814	0.8
90.90541	0.7
91.05482	48.4
93.06587	0.5
93.07045	41.8
95.04974	10.9
95.08611	77.2
97.06535	37.3
97.10168	3.9
98.20780	1.5
99.08089	3.2
105.04530	1.0
105.07038	28.5
107.07956	1.2
107.08597	11.0
109.06530	6.6
109.10160	11.2
111.08089	9.9
113.09650	9.6
117.07021	2.7
119.08582	31.0
121.10130	7.0
121.48309	0.6
123.08059	3.4
123.11716	1.0
130.36116	0.7
131.08595	1.3
133.09114	1.2
133.10130	22.2
135.11700	8.1
136.35519	0.7
137.08226	2.1
137.09618	2.0
159.11653	1.7
161.13258	22.2
179.14314	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	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02381	0.7
52.88782	0.7
53.03943	4.7
55.01875	7.9
55.05515	26.3
57.03440	3.5
57.07081	0.9
57.70064	0.8
59.04993	0.9
59.84316	0.7
65.03939	3.1
67.05506	99.1
69.03448	0.6
69.07069	17.9
70.07023	3.4
71.04996	2.0
73.06569	0.9
77.03900	0.7
79.05496	68.2
81.03423	19.8
81.07059	100.0
83.04984	35.4
83.08625	15.8
84.09647	0.8
85.06546	4.0
91.05486	51.4
93.07047	44.4
95.04975	8.8
95.08611	76.3
97.06538	37.4
97.10188	4.2
99.08107	3.1
105.07033	28.0
107.08591	12.0
109.06521	7.4
109.10165	12.6
111.08085	9.9
113.09650	10.0
117.07008	1.2
119.08587	35.6
121.10143	7.3
123.08100	3.7
123.08916	0.8
123.11679	0.8
131.08545	1.7
133.09111	1.3
133.10135	24.3
135.11688	8.8
137.09630	1.6
159.11751	1.7
161.13261	21.5
168.00241	0.8
179.14313	71.1
199.93085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
52.53878	0.7
52.92330	0.7
53.03928	1.9
55.01867	1.4
55.05507	5.3
56.96564	1.5
57.03441	5.7
65.03909	1.5
67.05509	26.1
67.63844	0.9
69.03416	1.6
69.07072	8.1
70.62850	2.5
71.04986	3.9
79.05495	19.5
81.07059	75.6
83.04986	5.2
83.08600	2.6
85.06541	6.7
91.05483	22.5
93.07048	29.8
95.04952	2.4
95.08611	67.3
97.06536	12.5
97.10131	0.9
99.08095	7.8
105.07041	30.4
107.08603	13.7
109.06515	3.3
109.10152	5.1
111.08075	3.6
113.09621	1.0
117.07015	2.8
119.08588	46.6
121.10151	14.1
123.04422	1.0
123.08081	6.3
133.10135	30.5
135.11702	29.6
137.09604	1.8
137.13269	2.8
146.10947	0.9
151.11185	1.7
161.13263	81.4
162.13628	1.4
175.25337	0.8
179.14319	100.0
180.14758	1.2
186.20262	0.9
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	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03929	2.6
54.03453	3.2
55.05520	12.5
57.07062	2.8
60.92389	2.0
61.10361	1.5
64.32714	1.5
65.03925	4.6
67.05489	7.3
68.05067	1.8
69.07069	23.1
69.37967	7.4
69.38397	6.0
75.93538	1.6
79.05070	1.8
79.05499	24.9
81.04513	1.7
81.07061	69.4
83.08616	10.6
87.10312	1.6
89.03913	4.4
91.05471	12.3
93.07044	41.1
95.04926	2.6
95.06068	3.6
95.08610	49.7
97.10155	6.7
98.98471	11.6
103.05450	1.9
105.03421	2.2
105.07037	5.5
107.04948	2.0
107.08598	100.0
108.05600	1.6
109.06524	1.8
109.10135	12.5
117.03376	5.1
117.07021	2.4
119.06065	2.3
119.08567	3.5
121.02865	2.0
121.06527	4.6
121.10151	82.7
122.07151	6.0
131.04813	1.9
131.08609	3.1
133.10178	2.8
135.06657	4.8
135.11685	16.9
136.08678	6.5
137.09529	1.8
145.02843	14.2
149.02356	5.6
149.05986	3.5
149.13245	7.5
159.11711	4.2
160.07552	1.7
162.03125	1.6
177.05443	13.9
177.07770	2.9
177.09102	4.7
177.11267	9.3
177.12767	14.0
177.16382	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.05512	13.3
56.96545	3.4
57.07056	2.6
63.38594	0.9
65.03923	2.7
67.05183	0.9
67.05508	13.1
69.03426	1.4
69.07070	29.4
69.37581	7.9
70.09625	0.8
71.08602	0.9
79.05071	1.3
79.05494	21.8
81.03411	1.4
81.06594	1.5
81.07059	28.9
83.08623	15.3
89.03914	3.8
91.05475	10.6
93.07047	48.2
95.04961	2.0
95.08611	58.9
97.10162	4.5
98.97590	2.3
98.98464	5.9
105.07028	9.6
106.04186	1.4
107.04982	1.4
107.08598	68.2
107.68170	0.7
109.06544	1.1
109.09459	1.4
109.10158	19.5
117.03378	5.2
117.06979	3.5
119.06858	2.6
119.08550	3.4
121.06476	3.5
121.10146	75.6
123.83675	0.8
126.29279	0.8
129.07059	0.9
129.08229	0.8
131.01898	1.7
131.08574	6.9
133.08446	1.4
133.10114	3.0
134.03656	1.0
135.04498	1.2
135.08043	2.1
135.11703	24.1
145.02844	15.7
147.09921	1.1
149.02283	2.8
149.06006	4.8
149.06966	0.8
149.09607	2.2
149.13249	10.5
154.03439	1.3
154.19537	1.0
159.08008	2.0
159.11681	6.3
163.03889	0.9
177.05467	12.6
177.09132	5.7
177.12746	13.8
177.14687	18.3
177.16357	100.0
193.27229	0.9
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
53.03935	2.9
55.05511	16.1
56.95955	1.2
56.96551	5.0
57.07071	2.5
60.95850	2.0
63.78770	1.6
65.03933	4.7
67.05510	12.8
69.07070	31.0
72.91087	1.1
75.88830	1.1
77.13545	1.5
79.05073	2.0
79.05494	26.8
81.06597	1.6
81.07058	32.7
83.04996	1.5
83.08623	15.5
89.03893	5.7
89.97430	1.2
91.05480	18.2
93.07042	55.7
95.04951	3.3
95.08607	62.2
97.10159	4.5
98.98450	6.0
103.05436	2.8
105.07021	10.0
107.04933	5.3
107.08594	69.1
109.06497	2.9
109.10158	21.3
111.08140	1.3
113.00849	2.0
115.05474	1.4
116.98611	1.5
117.03386	10.2
117.06996	4.7
119.04932	1.4
119.08571	3.5
121.06480	6.1
121.10142	86.8
131.01883	2.9
131.08554	5.9
133.10115	3.4
135.04427	1.4
135.08073	2.4
135.11687	27.3
145.02846	20.7
149.02322	3.9
149.06003	6.5
149.13293	11.5
154.05524	2.0
159.07971	3.4
159.11716	7.9
177.05470	19.7
177.09114	6.1
177.12920	12.8
177.14714	12.8
177.16365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
50.57181	0.9
50.64158	0.9
51.65974	0.7
53.03933	2.7
53.56566	0.7
55.01873	4.0
55.05510	6.0
55.50965	0.8
56.96572	2.1
57.03424	1.7
65.03931	3.5
67.05502	21.4
69.07066	9.3
69.29008	7.1
69.29420	1.3
70.80499	0.9
74.15636	0.8
74.32848	0.8
77.03880	1.1
79.01263	0.8
79.05495	33.9
81.03404	1.6
81.07056	47.1
83.04971	4.3
83.08617	5.3
85.06531	3.2
86.33059	0.9
89.03912	2.5
91.04895	1.5
91.05478	32.7
93.07043	83.0
94.07310	0.9
95.04971	10.3
95.08611	13.9
97.06538	6.9
98.98479	7.8
103.05437	1.6
105.04540	1.4
105.07030	26.2
107.04927	4.2
107.08590	27.8
109.06508	3.8
109.10146	1.5
111.08086	1.7
113.00867	1.0
115.05453	1.8
117.03365	3.0
117.07011	15.8
119.08571	5.8
121.02895	1.2
121.06520	4.1
121.10148	18.0
129.06999	1.3
131.01904	2.4
131.08569	22.6
133.10130	35.4
134.04860	3.5
135.04430	0.8
135.08061	7.1
135.11707	9.6
143.05392	1.6
144.09354	1.6
145.02840	13.5
149.02361	3.3
149.05991	2.9
149.09608	3.1
149.13258	29.8
154.03488	1.5
159.08113	2.3
159.11694	35.1
175.84480	0.8
177.05476	9.5
177.09178	3.6
177.12755	100.0
177.16177	6.0
178.06865	2.4
178.13148	1.5
181.23138	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01870	2.6
55.05510	4.3
56.96566	1.3
57.03437	1.3
59.32719	0.8
59.41928	1.1
60.95849	1.1
65.03937	3.1
67.05182	1.5
67.05508	20.5
69.07090	4.7
71.07757	1.0
71.08100	1.8
79.05497	23.6
81.03413	3.4
81.07062	30.4
83.04970	3.9
83.08610	3.1
85.06516	1.5
89.03905	1.4
91.05485	28.9
93.07048	41.1
95.04995	7.0
95.08612	8.8
97.06548	7.4
98.98460	3.9
105.04562	1.2
105.07030	16.4
106.96179	0.9
107.04955	5.5
107.08599	17.0
109.06518	3.3
109.10168	1.2
111.08115	2.1
117.03383	1.7
117.07024	19.5
119.08573	6.0
120.96028	0.9
121.02867	1.4
121.06491	3.7
121.10130	8.7
122.06177	1.0
129.06966	1.4
131.01897	1.1
131.08568	23.8
133.10139	28.9
134.04880	1.1
135.08064	6.4
135.11694	9.6
143.05406	1.3
145.02867	6.8
147.11690	1.3
149.02356	2.7
149.05968	2.0
149.09596	2.2
149.13280	18.1
159.11703	40.8
177.04114	1.0
177.05457	6.9
177.09247	2.4
177.12759	100.0
178.13190	1.2
197.70755	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03932	2.5
55.01858	3.9
55.05505	4.0
57.03435	1.5
65.03949	0.9
67.05186	1.6
67.05508	22.6
68.17831	0.9
69.07069	6.2
71.04975	0.9
71.56419	1.3
72.89545	0.8
79.05495	27.4
81.03400	2.9
81.07060	36.2
83.04980	4.9
83.08601	4.2
89.03912	1.3
91.05486	30.2
93.07047	48.9
93.76488	0.9
95.04964	7.7
95.08611	8.1
97.06544	8.4
98.98450	1.9
99.08086	1.2
102.61298	0.9
105.07033	19.7
106.12361	0.9
107.04949	4.6
107.08598	16.8
109.06501	3.1
109.10143	1.8
111.08064	2.6
115.05538	1.2
117.03367	2.6
117.06235	1.3
117.07036	20.2
119.08593	5.4
121.06499	4.0
121.10162	11.5
129.07005	1.6
131.08565	24.1
133.10138	34.4
135.08015	6.9
135.11699	10.4
144.09392	1.5
145.02837	3.2
149.02376	1.1
149.09596	3.7
149.13257	16.5
159.11697	48.9
177.05496	3.3
177.12750	100.0
177.16365	3.2
178.13199	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43880	0.8
53.03932	2.5
55.01862	3.8
55.05525	4.6
56.96568	0.7
57.03434	2.3
65.03925	2.4
65.26593	0.8
67.05505	17.4
69.03433	0.9
69.07071	6.4
71.05005	1.4
71.36864	1.0
71.37196	1.3
78.85425	0.7
79.05495	27.5
81.03429	4.0
81.06586	1.5
81.07056	29.3
83.04978	3.4
83.08611	3.0
89.03928	2.0
91.05477	24.2
93.07042	43.7
95.04969	9.5
95.08618	8.6
97.06541	7.2
98.98495	4.8
103.05438	1.2
105.04518	1.0
105.07033	17.7
106.60529	0.7
107.04932	4.8
107.08595	18.7
109.06532	5.0
109.10176	1.1
111.08085	2.3
111.23231	0.8
115.05412	1.4
117.03372	1.5
117.06228	1.3
117.07018	20.4
119.08566	5.6
121.06471	4.2
121.10136	10.2
123.08096	1.3
129.07013	2.6
130.07784	1.5
131.08582	25.0
133.10126	28.0
135.08052	7.9
135.11694	8.2
144.09349	1.1
145.02858	6.1
148.00737	0.8
149.02353	1.8
149.05966	1.9
149.09615	3.5
149.13271	15.0
157.10150	1.4
159.11699	42.0
177.05476	5.3
177.12750	100.0
177.16267	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	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03945	5.4
55.01861	1.5
55.05502	4.1
56.96560	4.3
57.03445	6.4
65.03934	3.6
65.08933	1.3
65.23601	1.1
67.05508	34.8
67.96795	1.0
69.03429	1.6
69.07065	5.9
70.46430	2.3
70.46794	2.4
71.04981	3.7
77.03934	1.6
79.05494	44.7
81.03414	2.9
81.07058	43.1
83.04973	4.3
83.08616	12.1
84.96044	1.2
87.85793	1.0
89.03900	2.8
91.05483	51.6
93.07045	100.0
95.04973	13.3
95.08602	10.3
97.06532	8.9
98.98464	4.7
99.08086	4.7
105.04519	2.2
105.07038	22.8
107.04953	2.5
107.08595	18.7
109.06492	7.6
111.08093	3.1
113.00868	1.2
115.05445	1.7
117.03345	2.6
117.07017	26.2
119.07805	2.3
119.08586	26.2
120.25824	1.1
121.06506	3.8
121.10142	10.0
124.24500	1.2
129.07037	6.7
130.07813	2.7
131.01840	1.7
131.08574	38.3
133.04199	1.3
133.06508	2.0
133.10132	25.8
135.02771	1.4
135.08057	4.3
135.11697	19.0
144.09334	13.5
145.02823	9.5
149.02339	4.0
149.05992	1.3
149.09631	3.5
149.13264	12.7
154.03485	1.3
157.10141	3.6
159.08070	3.8
159.11696	98.3
166.09178	1.1
166.92490	1.2
177.05487	9.1
177.09361	5.4
177.12755	96.2
177.16330	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	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03928	3.5
55.01867	1.1
55.05272	0.8
55.05513	9.8
56.50897	0.7
56.96568	1.2
57.03436	0.8
65.03944	1.8
67.05489	3.5
69.03422	1.0
69.07073	1.8
69.52372	5.5
77.03912	1.5
79.05489	7.3
81.07027	1.7
89.03905	2.8
91.05480	18.9
92.06270	6.9
93.07044	6.8
95.04967	6.0
95.08601	1.5
98.97578	3.1
98.98463	2.1
103.05463	2.3
105.03376	2.7
105.07011	3.3
106.04160	2.0
107.04958	22.5
107.08607	5.7
107.98584	0.9
109.06532	1.5
115.05499	0.8
116.98607	1.9
117.03380	6.0
117.07007	2.1
119.04920	3.7
119.08561	2.5
120.05736	10.3
121.06512	19.5
121.10123	4.1
123.04436	36.4
131.04932	3.6
131.08568	11.0
133.06476	3.2
133.10085	1.8
135.04416	74.7
135.08026	3.4
135.11678	1.5
145.02837	9.0
147.04413	13.5
147.08043	2.1
148.05193	100.0
149.06007	12.3
149.09619	6.6
159.08047	4.6
159.11707	3.0
177.05537	10.0
177.09108	62.1
177.12680	5.2
177.16313	2.3
180.75919	0.8
186.29904	0.8
187.47520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11040	0.2
54.54955	0.2
54.98629	0.2
55.68941	0.2
56.96569	6.7
57.97356	0.3
70.11629	1.0
70.98158	0.3
71.95271	1.7
72.04949	0.2
74.31768	0.2
78.52917	0.2
83.66233	0.2
88.86147	0.2
98.97588	100.0
99.97948	0.5
113.00869	0.8
116.98624	41.0
119.01837	0.2
121.01684	0.4
131.01912	0.8
133.03502	0.3
134.99660	8.0
135.03145	0.3
140.00171	0.8
145.02872	0.2
149.01256	0.2
153.00682	0.5
154.03532	0.5
158.01323	0.2
158.64511	0.2
158.99684	1.0
177.00749	1.8
177.02103	0.3
177.04181	0.6
195.01740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95087	0.2
54.98627	0.2
56.96567	5.7
70.00878	0.7
71.95264	1.6
91.19489	0.2
92.46790	0.2
98.97586	100.0
99.97926	0.6
113.00868	1.2
116.98622	40.4
117.98951	0.3
129.38869	0.2
129.78084	0.2
131.01898	1.9
134.99663	10.5
136.02376	0.2
140.00179	0.9
141.99963	0.2
145.02899	0.3
153.00677	0.6
154.03490	1.3
158.01268	0.3
158.99667	0.3
177.00746	2.1
177.04135	0.3
195.01750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1435
Annotation	Nigrifactin
Peak:m/z	Relative Intensity
51.13384	0.2
55.05513	0.4
56.96330	0.3
56.96566	2.6
60.95828	0.4
67.05497	0.4
69.07054	0.3
70.89147	0.7
79.05480	0.5
81.07047	0.5
83.08633	0.2
91.05484	0.5
92.05863	0.3
93.07029	0.4
95.08617	0.4
98.98426	0.3
99.68928	0.2
105.07042	0.3
106.07363	0.3
106.79647	0.2
107.08616	0.5
114.00165	0.2
115.64156	0.3
117.07016	0.3
118.06550	21.2
119.07332	0.7
119.08608	0.3
120.08174	0.5
120.08896	0.6
121.10154	0.4
130.06514	0.3
131.08501	0.3
132.08095	7.0
133.04095	0.3
133.08902	2.8
133.09984	0.4
134.05006	0.3
134.09622	1.0
134.55003	0.3
143.55582	0.7
145.02873	0.3
146.09650	6.4
147.10428	0.8
148.04791	0.3
152.05962	0.3
152.56140	0.8
160.11211	0.7
168.90950	0.2
176.07086	0.7
176.14351	100.0
177.05307	0.3
177.14708	1.1
180.04245	0.2
197.04785	0.4
198.05223	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57514	0.8
61.05439	0.8
69.48473	5.1
69.48875	1.5
85.06526	2.5
85.24039	0.8
98.97587	2.3
100.06931	0.8
102.58070	0.9
116.98625	1.8
130.12267	3.0
132.02116	100.0
133.02554	1.0
168.95607	0.9
174.30083	0.8
176.01100	27.3
176.04672	2.0
176.12801	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
52.02044	0.2
53.03944	0.6
55.05511	2.8
57.07076	0.4
57.75247	0.2
59.77611	0.2
67.05503	1.2
67.31399	0.2
69.03436	0.3
69.07066	8.8
70.40685	0.7
77.03932	0.3
79.05504	1.2
81.07058	3.9
83.04968	0.3
83.08620	1.8
85.02954	0.3
91.05479	7.7
93.04568	0.3
93.07036	2.5
95.08601	2.7
97.02886	0.5
98.98460	4.1
103.05472	0.8
105.07031	16.8
107.08601	3.0
111.04369	0.2
115.03826	0.2
115.05473	0.6
116.06239	0.3
117.07011	2.9
119.04967	0.8
119.08582	48.5
120.08857	0.4
120.09484	0.2
121.10166	1.4
127.04012	0.2
129.07016	1.0
131.08556	3.0
132.09361	0.7
133.10130	47.4
134.07135	0.4
134.10918	0.4
135.07938	0.4
140.91489	0.3
142.07796	1.2
144.09297	0.6
145.10126	7.8
146.10907	0.8
147.04419	1.4
147.11691	20.2
148.08604	0.3
151.94086	0.3
157.04286	0.8
157.10156	1.1
159.11690	4.6
160.05206	0.9
160.08775	0.4
160.12474	6.6
161.13271	0.7
173.13284	1.3
175.03917	0.5
175.07571	1.4
175.11305	2.6
175.14821	100.0
176.15176	1.5
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
53.03952	1.5
55.01875	1.5
55.05510	9.3
56.96568	2.7
57.03429	0.8
57.07060	1.1
61.01160	0.9
65.03941	1.3
67.05500	3.9
69.03423	1.9
69.07070	20.0
69.12602	0.5
70.06573	0.7
71.56244	0.8
72.08131	0.7
79.05492	5.8
81.03430	1.6
81.06583	0.9
81.07057	14.7
83.04934	0.7
83.08633	4.3
85.01137	1.2
85.02917	0.7
87.02719	1.1
87.04498	0.7
91.05483	25.1
93.07051	7.2
95.04983	1.3
95.08611	12.7
96.04500	1.9
97.02910	2.5
98.03687	0.9
98.97587	0.6
98.97823	0.9
98.98466	9.5
103.02209	1.3
103.05470	1.0
104.06297	0.5
105.07034	38.5
107.04974	1.4
107.08600	9.0
110.97504	0.6
111.04466	1.0
112.02219	3.7
113.05180	0.6
115.03954	0.8
115.05415	2.9
117.03742	0.7
117.07019	4.8
119.04969	4.1
119.08583	86.4
121.06561	0.7
121.10145	3.0
122.04913	0.6
125.02409	0.7
127.03893	0.8
128.06233	0.7
129.06999	5.7
130.06523	1.2
131.05409	0.9
131.08566	7.1
132.05714	1.5
132.09325	0.8
132.95854	0.6
133.06522	1.9
133.10132	78.2
135.53625	0.7
142.07791	2.3
143.05348	1.0
145.10109	5.4
146.10913	2.2
147.04410	11.2
147.08044	2.7
147.11700	13.0
152.05913	0.7
157.06531	0.6
157.10130	5.3
160.05193	2.5
160.12477	3.2
173.13272	2.5
175.03990	3.6
175.06030	1.0
175.07521	7.8
175.11220	15.4
175.14827	100.0
176.02023	3.6
176.15178	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
51.16134	0.4
55.01859	0.4
55.05510	6.6
56.96288	0.4
56.96560	0.9
57.07066	0.6
63.26853	0.4
65.03928	0.7
67.05498	2.0
67.26375	0.5
69.03387	0.5
69.07066	20.9
69.42271	3.1
73.38901	0.4
79.05486	3.3
81.07054	10.2
83.08616	4.3
87.63562	0.4
91.05474	10.0
93.07034	4.5
95.08604	8.1
97.02914	0.6
98.20798	0.9
98.98456	1.8
104.06234	0.6
105.07026	27.2
107.08602	7.3
115.05441	1.2
117.07028	3.0
118.07785	0.5
119.08579	75.8
120.08852	0.4
121.10141	1.7
129.07043	0.6
131.08577	4.4
132.09290	1.0
133.10129	88.8
134.10437	0.8
135.85583	0.4
145.10107	5.2
146.10904	1.0
147.04395	1.8
147.11679	10.5
159.11650	0.5
160.12486	3.3
160.45276	0.4
165.27777	0.5
173.13258	2.4
175.07552	1.7
175.11356	2.0
175.14822	100.0
176.15167	1.1
190.98361	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
51.90815	0.7
55.05510	6.5
61.35179	0.7
65.70064	0.7
67.05508	1.3
69.07068	20.9
70.33272	1.6
70.33640	1.8
79.05480	1.4
81.07045	3.5
83.08615	3.4
91.05486	5.1
93.07026	2.8
95.08604	4.0
104.06148	0.9
105.07026	20.7
107.08587	5.5
117.07008	1.3
119.08582	73.9
121.10122	2.9
131.08565	3.3
133.10130	59.9
134.10429	1.5
135.11726	0.9
145.10112	5.3
147.11674	9.2
155.54340	0.8
160.12486	3.3
173.13287	2.0
175.14825	100.0
176.15248	1.4
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	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01888	0.5
55.05516	6.6
56.96575	1.2
57.07059	1.0
58.33000	0.4
65.03918	0.4
67.05513	3.0
69.03445	0.9
69.07069	18.9
69.64351	2.3
79.05493	3.4
81.07063	9.0
83.08620	4.9
85.02902	0.6
90.60299	0.4
91.05483	15.6
93.07041	4.4
95.04958	0.7
95.08051	0.7
95.08615	7.4
97.02883	1.2
98.98473	5.0
103.05466	0.5
104.06285	0.4
105.07033	28.6
107.08599	5.9
111.04501	0.5
115.05442	2.1
116.07112	0.5
117.07019	3.1
118.07756	0.4
119.04930	2.2
119.08582	76.9
120.09425	0.6
121.10129	2.4
125.40083	0.3
127.57024	0.4
129.07016	1.7
131.08559	4.0
133.10133	63.3
134.10696	0.3
135.11708	0.6
135.14278	0.4
142.07782	0.9
143.04958	0.5
145.10110	6.3
146.10924	1.7
147.04407	5.6
147.08043	0.9
147.11679	10.9
147.12804	0.8
157.10117	2.1
159.11670	0.5
160.05200	2.2
160.12491	3.6
173.13261	1.9
175.03928	1.4
175.07529	4.0
175.11530	3.6
175.14825	100.0
176.15237	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43067	0.6
55.05513	5.7
67.05489	1.1
69.07069	18.7
69.53961	2.2
69.54394	2.1
79.05483	2.1
81.07054	3.9
83.08633	3.7
87.67310	0.5
91.05482	7.1
93.07034	2.0
95.08615	4.6
98.20790	1.1
99.14587	0.6
100.69418	0.6
103.05467	0.8
105.07030	19.3
107.08609	4.0
110.69425	0.7
112.73810	0.5
117.07016	2.1
118.97436	0.5
119.08587	70.4
121.10151	2.7
131.08572	2.3
133.10136	57.6
145.10124	4.8
146.10873	1.0
147.11693	9.0
157.32964	0.7
160.12489	2.6
166.88860	0.6
173.13252	2.0
175.14828	100.0
176.15065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03948	0.5
55.05511	7.4
57.07064	1.2
67.05493	1.8
69.07070	20.7
70.81269	0.8
70.81623	0.8
74.32054	0.4
77.03900	0.4
79.05493	1.9
79.90426	0.4
81.07053	5.4
82.85825	0.4
83.08620	4.2
91.05486	6.2
93.07040	3.4
93.45915	0.4
95.08613	4.9
98.98457	0.5
103.05451	0.5
105.07032	19.9
107.08591	4.7
107.28445	0.4
117.07017	2.1
119.08582	73.9
120.08894	0.6
121.10144	2.9
121.44267	0.5
131.08556	2.8
133.10132	60.3
134.10416	0.5
137.19588	0.4
145.10126	4.5
146.10928	1.5
147.04459	0.5
147.11691	9.7
160.12505	3.6
173.13249	2.2
175.14827	100.0
176.15117	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.8
54.09872	0.5
55.05510	7.2
55.97303	0.5
57.07072	0.7
65.26589	0.6
67.05492	2.4
69.06728	0.9
69.07068	12.2
70.67661	1.7
79.05499	3.3
81.07054	11.8
83.08635	3.2
91.04964	1.0
91.05482	10.5
93.07049	5.5
95.08611	7.9
98.98489	1.3
103.05444	1.1
105.07030	40.4
107.08596	8.2
115.05448	0.8
117.07017	2.1
119.08581	73.9
121.10159	1.3
131.08571	5.0
132.09360	0.9
133.10132	50.8
145.10136	4.3
146.10938	3.1
147.04454	1.0
147.11679	13.3
160.12450	1.4
173.13249	1.3
175.07515	1.1
175.14825	100.0
176.15193	1.2
176.59944	0.6
188.89035	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03939	0.7
55.05270	0.7
55.05515	8.6
57.07075	1.4
59.05003	0.5
60.04532	1.0
61.04861	0.6
65.03941	0.8
67.05510	3.6
69.03439	1.7
69.06723	1.0
69.07075	12.9
70.48915	2.1
71.93060	0.6
76.81184	0.5
79.05492	4.1
79.89642	0.5
81.03377	0.6
81.07057	17.1
83.08628	4.5
83.09417	0.6
84.04517	0.6
85.02888	0.7
91.04904	1.0
91.05484	19.2
91.75060	0.5
93.07056	5.5
95.08607	11.3
97.02884	1.9
98.03236	2.1
98.20757	0.6
98.98481	3.6
103.05433	1.3
105.07034	46.5
107.08603	8.4
109.10200	0.8
111.04453	0.9
115.05427	1.2
117.07030	4.5
119.04935	2.4
119.08585	74.8
120.08117	0.9
121.10149	1.7
129.07014	2.2
129.65681	0.6
131.08563	8.2
132.95818	0.7
133.10135	52.4
133.64999	0.6
145.06493	1.6
145.10135	3.9
146.10925	3.7
147.04417	4.9
147.08035	0.8
147.11696	14.3
157.10100	0.9
160.05179	1.0
160.12497	1.1
173.13263	2.1
175.03914	1.5
175.06255	0.6
175.07730	3.8
175.11307	1.9
175.14836	100.0
176.15186	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01855	3.7
55.05507	4.4
56.96337	1.0
56.96569	11.0
57.03185	1.3
57.03440	15.4
57.65740	0.8
59.04993	0.7
61.02929	1.4
65.03923	1.7
67.05505	18.3
69.03437	4.1
69.07077	4.2
69.07369	0.8
69.60568	3.6
69.60976	1.8
70.06575	0.9
70.98128	9.7
79.05493	9.3
81.03436	5.0
81.07075	7.4
83.04971	3.1
83.08622	1.3
83.73846	0.9
83.77628	0.8
85.02890	1.2
88.99145	3.5
91.05486	44.0
93.07048	7.3
95.04979	11.0
95.08604	2.5
97.02882	3.2
97.06532	1.0
97.99165	1.1
98.03690	1.3
98.98474	18.4
103.05441	1.4
105.07037	30.9
106.07391	1.1
107.04966	6.7
107.08589	3.2
109.10172	9.0
111.04451	2.1
115.04015	1.8
115.05468	4.1
116.06243	1.3
117.07018	5.9
119.04939	7.3
119.08582	59.9
121.06503	2.5
123.72698	1.0
125.02311	1.3
128.06221	1.9
129.07004	18.8
131.05461	7.3
131.08556	12.5
132.05701	1.1
133.06503	19.6
133.10127	20.3
133.92700	1.0
139.03912	1.8
140.05890	4.6
141.06989	1.5
142.07780	8.9
142.56215	2.4
145.05247	0.8
145.06514	3.9
145.10130	2.3
146.07257	15.1
147.04420	15.5
147.08055	36.2
147.11684	19.4
151.93802	1.0
155.10852	0.8
157.10135	20.8
160.05165	2.5
160.08852	5.5
173.11717	2.0
175.03970	4.7
175.07600	6.9
175.11188	100.0
175.14767	19.3
176.11415	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03938	1.1
55.01878	5.5
55.05490	3.2
56.96574	5.8
57.03431	4.3
59.04988	1.1
65.03922	2.2
67.05503	11.2
69.03418	1.6
69.07079	5.7
70.04414	3.5
70.98135	4.2
71.04961	1.3
78.20944	0.8
79.05497	12.1
81.03415	2.0
81.07047	9.5
83.04966	3.1
85.02901	1.1
88.99122	1.5
91.05483	88.4
92.05825	1.1
92.90113	1.3
93.07060	7.2
93.33504	0.8
95.04990	4.0
95.08606	1.6
97.02882	1.5
97.06517	2.6
98.98465	11.2
105.03452	0.9
105.07035	32.1
107.04951	5.3
107.08600	2.8
109.06511	1.6
109.10130	2.6
115.05454	3.7
116.06267	1.4
117.07021	2.8
119.04948	3.3
119.08586	32.0
121.06481	1.0
122.06757	1.1
124.04576	0.9
127.03946	1.3
128.06209	2.8
129.07005	31.1
131.05417	1.9
131.08569	40.9
133.06516	7.0
133.10132	20.0
140.05913	1.5
142.07774	9.9
145.10155	2.2
146.07193	1.0
147.04431	9.6
147.08023	4.3
147.11700	14.5
151.93822	1.0
157.10139	39.0
160.05275	1.1
175.03888	3.3
175.07594	4.3
175.11189	100.0
175.14757	13.1
176.11433	1.3
181.44008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.149
Annotation	9-Aminononanoic acid
Peak:m/z	Relative Intensity
53.03944	1.0
55.01855	2.3
55.05268	1.1
55.05513	12.6
55.67879	0.8
56.05027	1.2
56.96545	2.4
57.03440	1.6
57.07072	2.0
59.04977	1.1
60.04516	1.6
67.05508	4.0
68.05033	0.8
69.03420	2.0
69.07070	27.2
69.65798	5.2
70.06602	1.1
70.95865	3.8
72.93787	1.8
73.06537	1.5
79.05506	6.5
81.07066	7.9
83.04977	3.1
91.05468	3.2
91.08553	0.9
93.07047	11.8
95.08622	6.4
96.04501	0.8
97.02885	3.0
97.06534	5.1
97.10178	11.2
98.21439	1.1
100.07629	1.2
101.05991	1.2
111.11720	1.7
111.98488	2.7
112.04836	1.0
114.05534	2.0
114.12797	1.5
115.03904	1.1
121.10150	6.7
129.99490	1.0
131.08563	0.8
132.08063	1.5
132.08928	1.6
132.95836	9.2
138.12714	1.9
139.11191	5.1
145.08846	1.1
146.06032	2.0
147.04428	1.0
150.96887	7.7
155.97447	2.4
156.13847	100.0
173.98502	3.6
174.05457	1.9
174.07655	3.3
174.12607	1.6
174.13683	1.9
174.14909	44.4
175.03865	1.1
175.07628	1.3
175.14937	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0763
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
51.70307	0.9
55.01878	1.9
55.05507	2.8
56.05024	3.0
56.96571	7.1
57.03438	9.4
58.40255	1.0
60.04219	2.3
60.04528	46.6
60.28402	1.0
61.02921	1.9
67.05518	1.2
68.05029	5.2
69.03436	16.8
69.07064	2.8
70.06643	1.2
70.27145	2.1
70.27528	2.7
70.77171	1.0
72.93753	1.2
81.07043	1.5
82.06580	2.0
83.04964	1.5
84.04509	33.4
85.02916	17.3
86.06054	4.1
86.09683	1.5
91.03955	1.2
91.05478	3.6
95.08601	1.3
96.04498	19.2
97.02899	94.8
98.98473	3.1
102.05546	9.5
102.06239	1.2
105.07011	1.8
105.40368	1.0
109.02338	1.2
112.04765	1.7
114.05537	47.5
115.03931	8.3
117.07083	1.3
118.06531	3.3
119.04960	1.4
119.08592	5.1
128.04950	2.0
128.07069	2.1
131.08543	3.0
132.06564	5.0
132.08075	3.3
132.08920	4.7
133.04115	1.4
133.10129	4.0
138.05464	1.6
145.09956	1.2
146.05974	3.5
146.10495	2.2
147.04379	2.7
147.11688	1.2
150.96873	2.3
159.98105	1.1
160.05351	1.1
161.32922	1.0
173.45274	1.2
174.02689	3.8
174.07637	100.0
174.12801	11.3
174.13811	3.7
174.18550	1.8
175.07626	3.2
175.14833	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	174.0762
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.10533	0.8
53.46807	0.7
55.01853	0.8
55.05496	1.1
56.05021	2.2
56.96561	3.4
57.03184	1.0
57.03438	9.8
60.04525	43.9
61.02922	1.4
68.05026	4.9
69.03087	0.8
69.03431	15.4
69.07076	1.0
69.24276	7.2
72.93778	0.9
79.05450	0.8
81.07051	0.8
84.04506	29.9
85.02425	1.1
85.02911	12.2
86.06049	2.3
91.03916	1.0
91.05489	2.2
91.41235	0.7
96.04497	14.6
97.02892	88.2
98.03245	1.1
98.98463	2.0
100.03989	0.8
100.75945	0.7
102.05554	7.5
102.07478	0.6
105.06998	1.4
106.07240	1.0
114.05531	37.7
115.03929	7.7
118.06606	1.3
119.04907	0.8
119.08575	2.4
126.05495	0.9
127.07155	0.6
128.07091	1.2
131.08508	1.1
132.06584	4.5
132.08093	1.7
132.08899	2.8
133.10100	2.2
138.05554	1.3
141.53062	0.7
146.06024	2.0
146.10503	0.9
147.04402	1.4
155.97444	0.8
156.06546	2.5
159.11296	1.1
174.02696	2.4
174.07620	100.0
174.12794	5.0
174.13855	1.4
175.07675	1.0
175.14818	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	173.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01868	1.8
55.05518	13.0
56.96568	14.8
57.07076	2.0
59.04982	2.9
67.05512	5.1
69.06779	1.2
69.07074	11.6
71.08636	100.0
72.93781	3.6
75.01019	1.0
77.03914	1.2
79.05484	2.1
81.07044	4.3
83.04980	8.8
83.08652	1.3
84.19252	0.9
85.02905	1.7
85.06551	2.1
89.03940	1.7
90.90386	2.8
90.94845	3.1
91.05496	5.1
93.07039	1.2
95.04979	1.6
95.08607	1.9
97.02885	2.6
99.08097	68.0
101.06042	5.7
105.07035	3.0
107.04964	1.7
111.04453	11.7
113.05999	1.1
114.05544	1.3
115.05443	2.4
116.03077	1.6
116.06254	1.7
117.07018	4.1
119.04421	1.2
119.08571	3.8
128.04871	3.8
128.98599	1.0
129.04547	1.7
129.05527	2.3
129.06998	3.6
129.12799	5.6
130.07726	1.9
131.04929	1.7
131.08582	21.6
133.04074	2.9
137.05412	2.0
142.04630	6.0
143.08566	4.5
144.09317	2.3
145.06537	1.5
145.10138	9.8
149.94064	2.9
149.96133	2.0
150.06204	1.4
151.05141	4.1
155.07047	7.4
155.08363	1.7
158.07280	2.0
158.10951	7.5
163.11154	1.5
167.97194	1.3
173.00937	1.9
173.02356	23.1
173.05971	2.5
173.08122	15.6
173.09644	11.9
173.13280	28.4
174.07596	3.3
174.12811	1.1
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	0.5
55.01890	0.5
55.05521	5.2
55.41227	0.4
56.96566	1.3
57.07077	1.1
59.05022	0.8
60.38161	0.5
67.05225	0.6
67.05518	7.0
69.03433	0.6
70.38059	1.3
70.38413	1.1
71.04990	0.8
72.93806	0.9
76.32771	0.5
79.05505	2.7
81.03413	0.8
81.07082	3.1
83.04968	4.3
90.90398	1.2
91.05486	10.4
93.07064	2.0
95.08598	0.8
98.01292	0.8
98.20721	0.5
98.98476	0.6
101.06033	3.7
105.07039	10.2
109.10176	2.3
109.20585	0.5
111.04440	6.8
113.06000	1.0
115.05463	2.0
116.06253	2.9
117.07034	9.3
119.08592	10.0
119.09382	0.5
120.02599	1.8
127.07524	0.7
128.06242	1.5
129.03123	1.2
129.05464	1.9
129.07018	8.2
130.07809	3.4
130.30229	0.6
131.08575	70.6
133.10120	1.1
142.07849	0.7
143.08575	16.4
144.09367	7.7
144.70576	0.7
145.10135	26.7
149.94049	0.6
155.03423	0.8
155.07024	4.0
156.09343	1.3
157.10184	1.1
158.07298	1.3
158.10922	21.4
171.11681	2.0
173.05934	1.0
173.08154	9.2
173.09673	4.7
173.13271	100.0
174.13672	0.9
184.37746	0.5
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
53.03954	0.5
55.05517	2.7
55.83952	0.3
56.96564	1.3
57.03439	1.5
57.07068	0.9
59.05006	0.6
61.56296	0.3
65.03928	0.4
67.05502	3.5
69.07059	0.3
71.08630	2.7
71.27637	0.3
71.37057	0.8
75.04472	0.4
77.03951	0.3
79.05496	1.6
81.03458	0.3
81.07072	2.8
83.04989	1.9
86.50960	0.3
87.04516	0.3
88.07640	0.9
89.06015	0.4
89.07980	0.7
90.90372	1.5
90.94866	0.5
91.05482	7.4
93.07063	0.7
95.08627	0.4
98.97610	0.4
99.08103	1.7
99.08677	0.3
101.06027	1.2
102.09181	0.6
103.05474	0.4
103.09563	0.4
105.07033	9.6
109.10198	1.7
109.76189	0.3
111.04462	3.2
113.06019	0.4
115.05444	2.0
116.06268	1.5
117.07027	6.1
117.09164	1.0
119.08586	9.6
123.02029	0.4
128.06219	1.1
129.03101	0.3
129.05544	0.6
129.06998	6.4
130.07776	2.2
131.08574	68.5
131.93011	0.8
133.10133	2.2
142.07793	0.9
143.08563	16.9
144.09361	6.5
145.06490	0.4
145.10132	21.5
149.94061	1.1
150.06215	0.5
155.07043	1.8
155.08519	0.9
156.09346	1.2
157.10129	1.3
158.07349	1.5
158.10919	27.7
159.11615	0.7
167.97099	0.4
171.11702	1.7
173.08119	4.2
173.09645	5.2
173.13269	100.0
173.17278	5.5
173.39182	0.3
174.13638	1.2
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
53.03946	0.8
55.05514	3.9
56.96545	1.1
57.07076	4.4
57.44906	0.5
58.26064	0.4
67.05506	2.7
69.07065	1.4
70.48631	1.3
71.04965	0.6
72.93788	3.7
79.05488	1.5
81.03436	0.4
81.07059	2.4
83.04986	4.2
85.02918	0.5
85.06537	0.7
87.04456	0.5
90.90382	1.4
90.94837	3.2
91.04966	0.6
91.05488	6.5
93.07025	0.9
95.08624	0.8
97.02902	0.7
98.97581	0.5
99.04490	0.5
101.00842	0.6
101.05997	2.9
103.02403	0.9
105.07038	6.2
108.60565	0.4
109.10148	0.6
111.04448	6.2
113.06029	0.4
113.32275	0.4
113.96377	0.9
115.02372	0.7
115.05428	0.8
116.06246	1.2
117.07015	4.6
119.01920	0.6
119.08588	11.2
121.03459	0.9
127.07584	1.3
128.06216	1.1
129.05489	1.1
129.07008	6.8
130.07784	1.6
131.01863	0.5
131.08569	43.3
131.92999	1.1
133.03378	0.5
133.04280	0.8
133.10138	2.2
142.07788	1.1
143.08559	17.3
144.09355	6.3
145.03452	1.8
145.06476	0.6
145.10129	17.7
149.94078	1.2
149.96121	1.7
152.06825	1.3
155.01869	1.1
155.07065	3.8
156.09355	1.1
157.03464	1.8
157.10178	0.8
158.10912	27.4
159.11290	0.6
161.07408	1.4
163.04578	0.6
165.33684	0.5
167.97173	1.5
171.11703	1.1
173.03049	0.4
173.05989	0.8
173.08209	7.1
173.13263	100.0
174.13629	0.9
175.04504	1.0
187.04503	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1381
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
53.03943	2.1
53.73166	1.2
55.01857	2.7
55.05512	21.1
56.95333	1.4
56.96297	1.5
56.96569	29.6
57.03444	6.5
57.07053	4.6
59.05018	6.2
67.05192	1.7
67.05508	23.9
69.03424	2.2
69.06725	1.7
69.07068	21.6
70.06552	1.5
70.07369	1.2
70.53156	2.2
70.53494	2.6
71.05007	8.5
71.08618	1.2
72.04517	14.6
73.02905	4.7
73.06535	3.8
74.97604	2.7
79.05501	15.4
81.06586	2.2
81.07056	36.2
83.04973	6.8
83.08624	16.1
85.02898	2.4
85.06549	2.1
86.09715	6.5
89.07153	15.3
90.01540	1.4
91.05471	13.4
93.07046	74.2
95.04974	1.2
95.08611	59.4
97.06534	34.5
97.10171	2.7
97.99158	5.8
98.06872	1.4
98.20890	1.8
98.97574	5.5
102.01504	1.2
104.03026	1.9
105.07032	6.1
106.73061	1.2
107.08598	100.0
108.08868	2.1
109.06516	2.3
109.10159	54.2
110.01252	3.7
110.06893	1.3
110.97561	3.0
111.04440	4.1
111.08095	6.5
119.01798	2.2
119.06074	1.5
119.08545	3.3
123.11713	24.4
125.05965	3.0
125.09628	4.3
128.02296	2.3
128.06197	3.7
128.98578	3.3
129.06993	2.5
135.11693	75.9
136.12057	1.2
137.02805	2.6
139.03911	2.6
139.53111	1.9
141.06955	1.7
143.08578	4.6
146.99655	1.6
153.09125	1.7
153.12749	20.2
156.09343	9.5
160.97540	2.1
171.03062	1.3
171.05484	2.7
171.08057	4.5
171.11694	9.4
171.13654	1.6
171.14944	12.4
178.98627	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	171.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01875	8.2
55.05512	100.0
56.05857	0.5
56.96571	3.1
57.03444	1.8
57.07072	1.0
59.05012	2.9
65.03946	0.6
67.05508	12.6
69.03430	7.7
69.07072	12.5
69.73694	1.6
69.74107	1.1
71.04998	0.9
72.04520	11.8
72.98985	0.5
73.02916	1.1
78.62152	0.5
79.05495	17.7
81.07059	15.7
83.04990	5.7
83.08620	47.8
85.02906	1.1
85.06545	1.1
87.04482	0.7
89.07156	10.1
91.05498	3.2
93.07047	4.0
95.04996	0.5
95.08614	1.0
97.10172	55.2
98.10532	0.6
98.20825	0.6
98.97575	1.5
99.72292	0.5
100.57165	0.5
101.00767	0.7
101.06012	0.9
101.09679	2.4
105.07024	2.5
107.08595	15.0
107.09303	1.0
109.10181	1.0
109.50500	0.5
110.01318	1.4
110.22258	0.5
111.04437	1.1
111.08097	1.8
116.98633	0.5
117.07050	1.2
119.01806	3.8
121.52058	0.8
125.05971	0.8
125.09627	15.0
128.02313	3.0
128.06210	2.8
129.07011	10.8
129.07922	1.0
130.05156	0.5
130.07730	0.6
130.52617	1.7
135.08052	1.6
137.02837	0.9
139.53113	2.6
141.07014	1.7
142.07817	1.6
143.08554	7.5
153.09094	0.6
156.09354	5.7
163.03957	0.6
171.05551	1.2
171.08102	1.6
171.11693	22.0
171.14899	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	171.1015
Annotation	Isoboonein
Peak:m/z	Relative Intensity
50.58667	0.3
53.03951	1.8
55.01873	7.8
55.05511	100.0
56.05850	0.6
56.96568	0.5
57.03438	1.2
57.07068	1.0
59.05008	2.2
59.55339	0.3
65.03963	0.4
67.05505	11.5
69.03432	6.1
69.07068	13.9
70.07404	0.7
71.05002	0.3
71.41061	0.6
72.04517	4.9
73.02905	0.6
79.05494	16.9
81.07059	16.4
83.04987	5.7
83.08618	42.8
84.08931	0.4
85.02907	0.4
85.06558	0.7
87.04465	1.3
89.07151	3.7
91.05486	3.4
93.07048	3.1
95.08596	0.9
97.06513	0.5
97.10171	57.4
98.10487	0.5
98.97612	0.4
101.06013	0.5
101.09666	2.1
105.07022	1.5
107.04979	0.4
107.08596	14.8
108.08919	0.4
109.06510	0.8
109.10153	0.3
110.01293	0.9
111.08078	1.3
115.05476	0.4
116.98631	0.4
117.07010	1.2
119.01801	0.8
119.06042	0.4
125.06036	0.4
125.09631	14.7
127.04047	0.4
128.02298	1.1
128.06221	2.2
128.98653	0.4
129.07008	4.7
130.52565	0.4
135.08066	1.4
136.12033	0.9
139.53149	0.4
141.06972	0.8
142.07753	1.0
143.08557	5.1
153.09103	0.3
154.13043	0.6
154.19244	0.3
156.09340	2.6
162.79297	0.3
164.52982	0.3
171.11690	11.3
171.14825	4.0
171.74924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
50.29657	1.9
53.03947	2.9
55.01867	5.0
55.05514	18.7
56.96562	35.8
57.03425	7.5
57.07076	23.6
59.04993	6.4
61.04353	1.8
65.03918	6.6
67.05505	45.5
68.99786	2.8
69.03426	44.6
69.07065	28.1
69.83234	9.6
70.06583	3.0
71.04993	33.7
71.08622	2.1
73.06538	2.4
74.97602	2.3
79.05485	18.4
81.03407	5.2
81.07054	95.7
83.04984	22.2
83.08609	11.1
85.02885	7.7
85.06542	92.1
87.04453	1.7
91.05476	7.1
93.03387	4.2
93.07034	20.3
95.01315	2.7
95.04967	17.9
95.08605	32.8
97.06519	16.4
97.99210	9.2
99.04449	12.1
99.08121	4.5
102.03338	7.1
105.07018	13.7
106.03651	1.7
107.08593	19.0
109.02863	16.3
109.06507	31.2
109.10155	82.5
110.06046	2.4
111.00790	7.9
111.03797	2.7
111.04489	16.4
111.08076	26.3
113.03587	2.0
113.06018	18.3
115.04093	4.3
116.00181	3.4
119.00185	4.2
121.06490	2.1
121.10150	27.6
123.00795	8.7
123.04475	4.9
123.08077	26.9
123.11707	92.5
124.04646	19.9
125.06012	4.2
125.09626	6.2
126.03146	13.0
127.03903	4.9
127.11180	4.3
133.05194	4.1
133.10161	11.8
135.55443	2.4
136.08786	2.0
137.03621	3.1
139.11194	24.5
141.05469	36.4
141.06618	2.7
141.07022	1.9
146.04111	7.6
151.03906	3.9
151.07535	6.7
151.11177	39.6
152.08199	3.1
154.02489	2.4
155.04576	3.3
169.04980	21.8
169.06410	2.9
169.08588	5.1
169.09988	3.8
169.12236	100.0
170.09627	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	169.1224
Annotation	Geranic acid
Peak:m/z	Relative Intensity
53.03942	1.5
55.01870	3.1
55.05511	16.7
56.96565	2.3
57.03439	4.0
57.07076	2.3
63.52466	0.6
65.03945	1.8
67.05504	71.4
69.03428	8.2
69.07069	32.0
69.07465	0.8
71.04993	34.3
71.54547	0.6
73.06552	1.0
79.05492	16.3
81.03431	1.3
81.07055	74.8
82.07375	0.6
83.04984	13.5
83.08614	4.0
85.02910	2.1
85.06539	21.5
91.05479	16.6
93.07048	13.8
95.04957	5.7
95.08609	7.9
95.55554	0.7
97.06540	5.7
99.04459	5.8
99.08097	1.2
100.99151	1.0
101.06049	0.8
102.03369	1.1
105.07028	35.7
107.08591	41.4
109.02869	1.9
109.06522	10.8
109.10155	100.0
110.10498	1.1
111.00786	0.8
111.04442	2.4
111.08096	3.7
113.06014	6.0
115.07577	0.8
123.04423	1.5
123.08047	2.1
123.11708	13.3
124.04635	2.7
125.05930	0.7
125.09641	1.7
126.03143	1.7
126.54892	0.7
127.07571	4.2
127.11199	0.8
131.08539	1.2
133.02908	0.8
133.10129	36.1
134.10425	0.7
135.55466	0.8
137.03644	0.7
141.05458	5.7
141.06990	8.2
145.38538	0.6
151.03885	1.5
151.11182	13.3
153.06978	1.5
154.07762	6.0
157.54974	0.9
163.02864	0.8
169.04984	4.8
169.10110	22.7
169.12189	3.3
170.08217	0.6
170.09581	0.7
172.89326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	(4S-trans)-4-Hydroxy-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
51.96606	0.5
55.01858	1.9
55.05516	4.7
56.24900	0.6
56.96564	5.9
57.03419	1.3
57.07063	2.3
59.62163	0.5
65.03951	0.6
67.05506	10.9
67.28964	0.6
67.62804	0.5
69.03416	1.5
69.07070	3.8
71.04993	41.0
71.08631	54.7
73.06553	0.6
79.05495	3.3
79.63297	0.5
81.03430	1.6
81.06587	1.1
81.07056	21.5
82.01434	1.2
83.04973	1.1
83.08607	1.8
85.02885	0.8
85.06543	2.6
91.05481	4.7
92.16422	0.6
93.07040	1.8
95.01331	2.4
95.04982	3.5
95.08594	5.2
97.02883	0.8
97.06515	1.3
97.10152	0.9
99.04465	0.6
99.08094	35.4
100.02487	1.4
100.99126	1.1
102.03360	2.1
105.07056	3.0
107.08587	3.2
109.02858	2.3
109.06533	4.3
109.10156	7.8
111.00790	0.7
111.03804	1.4
111.04446	2.5
111.08096	3.2
115.04139	1.4
119.00207	0.8
123.00794	6.6
123.08062	1.9
123.11713	4.4
124.04646	5.4
124.54782	0.7
125.05994	1.1
126.03120	1.6
127.11180	1.3
133.05190	1.2
133.10115	2.9
135.55487	0.7
136.55621	0.7
137.03651	0.9
137.05415	0.9
141.01871	1.3
141.05481	7.0
141.06493	0.8
141.07031	1.1
141.12741	100.0
142.13092	0.9
146.04149	2.0
146.07594	0.8
146.96109	0.6
149.08371	0.6
151.03860	1.1
151.07565	1.2
151.09485	1.6
151.11206	1.7
169.01315	0.9
169.04991	5.1
169.08664	1.2
169.10184	2.0
169.12282	2.1
170.08104	0.7
175.05444	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0861
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
53.03946	2.4
55.01875	1.7
55.05509	3.4
56.96568	4.4
57.03448	0.6
57.07075	1.6
59.05002	0.5
60.95839	0.5
63.23055	0.5
65.03941	3.7
66.04732	0.5
67.01857	0.8
67.05507	14.7
69.03429	6.7
69.07078	7.7
70.90318	0.8
71.04996	6.1
71.08637	4.4
79.05497	16.6
81.03404	2.4
81.07061	62.4
83.04988	1.9
83.08627	2.3
83.97635	0.7
85.02895	1.1
85.06560	3.8
85.10165	0.5
91.05485	76.8
92.05817	0.9
93.03417	0.8
93.07045	5.8
95.01334	1.4
95.04973	89.9
95.08608	5.0
96.05305	0.5
97.02921	0.8
99.04468	1.5
99.08092	6.3
102.03364	2.0
105.07028	2.2
106.03600	0.7
107.08602	2.8
109.02880	2.4
109.06522	100.0
109.10150	6.3
111.00777	0.7
111.03778	0.7
111.04502	3.4
111.08092	1.8
113.06012	0.8
113.09638	0.9
115.04154	1.0
115.54362	0.5
117.54310	0.5
119.00180	0.8
119.04958	3.3
123.00791	7.9
123.04430	0.8
123.08081	5.1
123.11716	3.3
124.04631	4.0
124.54864	0.8
125.09657	0.5
126.03154	2.2
127.05899	0.7
127.07568	4.7
127.11186	0.6
132.41905	0.5
133.05153	0.6
133.10115	2.0
136.06465	0.5
136.56673	0.6
137.03606	0.7
137.05989	10.0
141.01833	2.1
141.05473	6.8
141.07018	1.1
141.09140	1.3
141.12743	8.2
146.04121	1.4
151.03922	1.2
151.07553	5.5
151.11168	1.6
154.07713	0.8
155.07045	10.5
163.02774	0.6
169.01294	1.1
169.04950	4.2
169.08659	12.2
169.10080	2.8
169.12260	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0861
Annotation	Methylhexahydrophthalic anhydride
Peak:m/z	Relative Intensity
53.03943	0.8
55.01875	100.0
55.05521	3.3
56.96559	1.5
59.73536	0.4
60.73396	0.5
65.03931	1.2
67.05183	0.7
67.05508	10.1
69.03420	0.6
69.07070	29.2
69.34418	0.5
70.87370	1.0
71.04995	1.3
79.05497	8.5
81.03404	1.6
81.07058	7.1
83.04987	1.2
87.26455	0.5
91.05481	6.3
93.07037	3.8
95.04958	2.0
95.08611	52.5
97.05922	0.8
97.06531	14.4
99.04472	0.9
102.03318	0.8
105.07032	12.6
107.04937	1.9
107.08600	13.0
109.02872	1.8
109.06525	14.7
109.10153	2.6
111.00828	0.6
111.03799	0.6
111.04472	1.0
111.08067	2.7
113.54054	0.5
115.04070	0.5
115.76275	0.5
119.06042	1.1
123.00826	1.2
123.04427	1.1
123.08064	19.7
123.11700	1.5
124.04655	1.0
125.05953	0.5
125.49734	1.5
126.03111	1.4
127.07549	1.1
127.11159	0.9
128.95036	0.5
133.06474	2.4
133.10175	0.8
134.50339	1.1
136.78294	0.5
141.05487	2.7
151.07547	9.2
151.11217	0.5
169.04944	1.6
169.06400	0.6
169.08633	10.4
169.09958	0.7
169.12189	0.6
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	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01860	0.5
55.05509	2.0
56.05040	0.5
56.96566	4.6
57.03428	1.2
59.05007	0.4
64.40083	0.4
65.03955	0.8
67.05515	3.0
67.28849	0.4
67.51080	0.9
67.93554	1.0
68.05024	0.9
69.03419	1.1
69.07076	2.0
70.06595	100.0
71.05001	1.0
71.56126	0.7
72.04522	1.7
73.02915	0.7
79.05497	1.6
80.05017	1.4
80.05826	0.8
81.03409	1.4
81.07059	4.2
82.94850	0.4
83.04982	1.0
83.08618	0.5
84.08151	0.8
84.96028	0.4
85.02911	0.8
85.94622	0.5
90.60741	0.4
91.05492	3.6
92.05818	0.7
93.03410	0.5
93.07059	1.0
94.06570	2.0
94.07413	1.1
95.04960	1.0
95.08624	1.4
96.04477	0.6
97.02916	1.1
97.06534	0.8
97.99222	0.5
98.06054	1.2
103.95702	0.5
105.07040	1.0
106.07296	0.4
107.08614	1.1
108.04499	1.7
108.08176	0.4
108.08945	0.9
109.02879	2.6
109.06530	1.6
109.10193	1.1
110.06101	0.9
110.06857	0.5
111.00842	0.5
111.04462	1.2
113.02573	0.4
115.02410	0.7
116.98653	0.5
119.01827	0.6
119.54974	0.4
121.01689	1.4
121.99384	0.8
122.02368	0.3
122.03230	1.8
122.06052	2.5
122.06845	0.8
122.09720	0.8
122.10509	1.3
123.04487	0.7
123.08064	0.6
123.09216	0.5
123.11731	1.2
124.02825	0.7
124.04666	2.0
124.07640	0.6
125.06045	1.0
126.03213	0.5
126.05531	1.6
126.06507	0.9
126.10013	0.4
126.97258	0.4
127.03931	0.5
131.00288	0.4
133.10167	0.8
136.02931	0.4
139.02631	0.5
139.98016	0.5
140.00363	0.6
140.07085	1.6
140.07993	1.0
140.10750	0.7
140.95142	0.8
141.05493	1.9
144.03271	0.5
144.98198	0.6
145.01021	1.5
145.03590	1.7
145.09991	1.3
146.87741	0.4
147.03128	0.5
149.01265	0.6
150.05447	4.4
150.06467	0.4
150.09079	2.0
150.10222	0.4
150.12805	0.4
151.03928	0.7
151.06253	0.9
151.07542	0.5
151.11243	1.3
156.03687	0.8
159.09683	4.0
159.59833	0.6
163.01999	0.6
168.06624	3.8
168.07898	0.8
168.10185	10.3
168.11464	0.7
168.13828	6.7
168.60341	0.5
169.05034	1.8
175.70084	0.4
188.61604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
56.96293	0.9
56.96565	11.3
57.03428	1.8
61.02909	1.9
69.03421	1.7
71.46309	1.2
73.02922	3.4
73.91351	0.8
74.97620	0.7
75.01028	2.1
81.01015	1.0
81.03410	3.0
82.99869	0.7
84.01566	5.2
85.02907	1.9
85.97295	10.3
87.00990	0.7
90.01537	1.1
93.02067	1.7
96.01546	2.3
97.02892	14.5
98.97591	3.3
99.04472	0.8
100.99132	1.9
101.00864	1.3
102.01541	1.4
103.00631	2.4
103.02309	1.5
103.98331	42.0
104.00964	1.8
105.02062	2.9
109.02290	3.3
109.02952	1.1
110.01316	2.8
111.02065	2.4
112.99172	1.7
115.02415	0.9
117.02083	1.2
118.02864	4.0
119.00208	1.0
119.01817	8.4
121.01662	7.6
121.99369	62.6
122.02023	2.3
125.01834	0.8
126.99894	7.7
127.02470	1.2
127.03940	1.5
128.02390	0.9
128.98532	0.9
131.00168	14.5
139.02724	1.1
140.00403	17.8
144.03220	3.7
145.00949	100.0
146.01065	1.3
147.03064	9.2
147.53307	1.6
149.01224	19.0
156.03621	18.5
163.02007	58.3
163.48868	0.7
167.02310	3.3
168.02510	2.3
168.06496	1.1
186.03612	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
55.01872	5.9
55.05509	89.8
56.96562	2.9
57.03424	3.1
57.07077	4.5
59.04999	8.8
65.03938	1.1
67.05502	20.1
69.03427	26.2
69.07063	11.6
69.35763	1.0
69.36160	4.6
71.04985	4.7
71.08617	0.6
72.08141	0.7
78.04732	1.1
79.05493	21.8
81.03424	1.6
81.07053	20.6
83.04978	100.0
83.08614	44.6
83.09121	1.6
84.96033	3.6
85.06548	10.7
91.05476	10.5
92.00392	0.9
93.07041	24.3
95.04987	4.2
95.08606	13.1
97.02887	2.0
97.06535	8.5
97.10163	13.8
98.20722	1.4
99.08092	3.4
103.00639	6.5
103.05478	1.0
105.03461	0.9
105.04522	1.0
105.07020	14.5
106.04167	0.8
107.04969	4.9
107.08589	43.1
108.05717	1.2
109.06534	5.5
109.10154	28.3
111.04459	2.1
111.08076	32.5
112.08862	7.1
113.09612	4.0
116.06266	1.1
119.08535	1.8
120.02032	1.4
121.01664	18.4
121.02972	1.0
121.06477	5.3
121.08437	3.3
121.10139	26.2
122.06065	1.0
122.09658	2.5
123.04440	2.9
123.08047	3.0
123.11695	10.9
124.05212	3.7
125.05995	2.7
125.09621	17.2
126.02225	1.5
131.08574	7.4
135.04379	1.3
137.09595	2.3
139.02721	4.3
139.03659	0.8
139.07533	11.1
139.11116	1.3
144.03227	14.4
149.02371	2.6
149.05934	2.0
149.09605	18.9
149.10748	1.3
149.13245	7.8
162.04286	4.1
162.77063	0.7
167.03416	2.2
167.04948	0.9
167.07039	21.2
167.08383	0.8
167.09317	0.9
167.10640	13.9
167.14310	60.4
168.10110	0.9
168.14748	1.3
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
53.03928	3.7
55.01875	5.0
55.05514	100.0
56.96561	1.2
57.03448	4.9
57.07062	3.5
58.63821	0.9
59.05004	11.0
63.64448	0.9
65.03934	1.5
67.05510	17.5
69.03084	1.6
69.03436	24.4
69.07069	10.9
71.04980	3.9
71.56364	1.4
73.06532	1.4
78.04664	2.1
79.05066	1.7
79.05499	23.6
81.03395	1.5
81.07063	18.2
83.04984	98.8
83.08621	43.2
83.09122	1.7
85.06545	9.7
91.05484	11.7
93.07050	23.3
95.04963	3.4
95.08611	9.9
97.06519	6.0
97.10178	14.0
99.08113	2.7
103.00635	3.7
105.07040	12.8
107.04916	3.4
107.08600	62.0
109.06509	3.8
109.10160	28.9
109.10932	1.4
110.39085	1.1
111.04405	1.2
111.08083	34.9
112.08889	6.6
113.09649	3.6
115.94376	1.0
119.06023	0.9
121.01688	8.3
121.06501	4.4
121.08435	3.8
121.10149	27.9
123.04424	4.0
123.08054	2.9
123.11724	11.5
124.05220	2.6
125.06018	2.9
125.09639	17.8
131.08585	6.7
134.70607	1.1
137.09546	1.4
139.07512	6.2
144.03224	7.9
149.02364	1.8
149.05980	1.5
149.09630	16.4
149.13258	7.6
149.23238	0.9
149.92838	1.1
152.04646	1.1
162.04298	1.9
167.03374	1.8
167.07045	20.6
167.08415	1.3
167.10678	8.2
167.14323	61.8
168.14696	1.1
185.89243	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	Piquerol B
Peak:m/z	Relative Intensity
53.03942	2.5
55.01878	9.6
55.05508	6.0
56.96557	2.4
57.03437	2.3
60.44228	0.8
65.03942	1.7
66.20798	0.6
67.05503	12.1
69.03414	2.8
69.07061	2.0
70.06589	0.7
71.04986	2.2
77.03948	0.9
78.04713	1.1
79.05493	59.2
81.03412	2.3
81.07049	6.1
83.04984	4.6
83.08624	1.2
84.96042	2.1
85.06544	1.1
90.31438	0.7
91.05481	26.1
92.05785	0.9
93.07045	47.7
94.04234	0.8
95.04974	6.8
95.08627	4.1
97.06530	10.6
97.10207	0.8
97.83239	0.6
103.00641	6.1
103.05460	2.0
105.04522	1.5
105.07030	47.2
106.04163	1.8
107.04977	5.3
107.08593	100.0
108.05785	1.2
108.08902	1.0
109.02891	1.1
109.06536	5.6
109.10146	1.4
111.04478	2.0
111.08089	1.9
116.06222	1.7
119.06108	0.7
119.08560	5.0
120.02085	0.7
120.08099	1.0
121.01663	16.5
121.02927	1.8
121.06512	14.2
121.08424	9.4
121.10139	41.3
123.04475	3.4
123.08064	3.9
123.11687	0.8
124.05215	4.0
125.05991	2.1
125.09660	2.7
126.02203	1.2
129.06985	1.3
129.80557	0.7
131.08563	42.9
137.09619	15.2
139.02719	2.5
139.07556	8.9
139.11205	1.2
144.03220	11.8
144.04129	0.8
149.02310	1.9
149.09619	97.5
162.04288	4.1
167.03398	1.7
167.07036	16.4
167.10674	45.0
177.20352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
52.94442	0.5
53.03945	2.4
55.01876	1.0
55.05511	9.1
56.96563	3.2
57.07068	1.5
59.04992	3.0
65.58044	0.5
67.05514	5.2
69.03429	2.1
69.07070	35.3
69.73557	3.1
77.03917	1.0
79.05497	15.6
81.07063	11.7
83.04976	2.1
83.08613	1.9
84.96043	2.4
91.05474	10.0
93.07047	69.0
95.04971	2.5
95.08614	9.9
97.06538	6.4
97.10188	1.4
97.99159	0.7
103.00630	2.0
103.05457	2.3
105.04505	0.8
105.07040	16.1
106.07829	1.5
107.04982	1.3
107.08588	3.8
109.06510	1.5
109.10161	1.9
111.04471	0.7
111.08117	0.7
111.11716	9.8
119.08581	3.9
121.01656	4.1
121.10148	100.0
122.10481	0.7
123.08080	5.6
124.05230	1.2
125.09569	1.2
131.08566	0.9
133.07599	1.9
139.02672	0.8
139.07544	2.1
139.11198	3.7
144.03250	5.6
149.02350	0.7
149.09616	13.9
149.10751	1.1
162.04341	0.9
166.98039	0.6
167.07039	2.3
167.10684	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	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.03042	0.7
53.03946	2.7
55.01870	3.2
55.05513	6.8
56.96565	5.3
57.03439	3.1
57.07074	1.9
59.05002	4.8
65.03928	1.7
67.05509	10.7
69.03430	4.1
69.07069	10.2
71.05002	3.9
73.02924	2.7
75.04436	1.3
78.04715	1.6
79.05495	36.7
79.12315	0.6
81.03423	2.2
81.07059	41.2
83.04983	5.1
83.08612	2.0
84.96033	4.1
85.02912	1.2
85.06488	0.6
91.05485	15.5
93.07047	87.0
94.07370	1.3
95.04984	9.4
95.08614	20.3
97.02898	0.6
97.06543	14.6
97.10153	1.2
99.04433	1.1
103.00636	5.0
103.05504	1.5
103.08942	0.9
105.04539	1.4
105.07033	14.4
106.04183	1.3
107.04976	5.5
107.08601	34.8
108.05772	0.9
109.06522	41.5
109.10155	5.0
110.03674	1.5
111.04447	2.6
111.08084	17.0
119.01855	0.8
119.06046	0.8
119.08556	1.4
119.97332	0.8
121.01669	14.9
121.02642	0.7
121.02937	0.9
121.06557	5.1
121.10149	100.0
122.10496	0.8
123.04469	3.1
123.08060	4.9
123.11719	14.2
124.05233	3.1
125.05994	12.4
125.09619	2.3
126.02161	0.9
131.08595	5.4
133.07657	1.4
137.09639	3.0
139.02753	3.1
139.03741	0.8
139.07564	9.0
139.11185	14.0
144.03235	14.0
149.01295	0.9
149.02391	2.3
149.05981	1.6
149.09624	41.4
149.13268	1.3
162.04308	3.5
167.03391	1.6
167.07045	30.4
167.10675	28.7
167.14331	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	Piquerol B
Peak:m/z	Relative Intensity
51.41139	0.7
53.03932	2.8
55.01869	9.7
55.05500	6.8
56.96553	2.9
57.03423	1.8
59.04991	0.9
59.37748	0.8
62.79595	0.9
65.03922	1.6
67.05507	10.3
69.03416	3.7
69.07053	2.9
70.06579	0.9
71.04988	2.3
71.56508	1.0
78.04677	1.7
79.05490	57.6
81.03406	1.4
81.07054	9.0
83.04980	6.4
83.08620	1.3
84.96016	2.7
85.06506	1.0
91.05478	22.3
93.07042	47.2
95.04959	7.0
95.08614	5.8
97.06536	8.1
103.00638	8.4
103.01304	1.2
103.05474	2.4
105.04497	1.3
105.07031	48.2
106.04150	1.2
107.04947	5.6
107.08595	100.0
108.05740	1.5
109.06530	6.7
109.10154	1.2
111.04421	3.0
111.08066	1.2
115.05351	1.0
116.06216	2.2
119.06085	1.8
119.08572	5.5
121.01665	15.6
121.02440	1.3
121.06506	14.3
121.08406	2.9
121.10139	40.1
123.04430	4.1
123.08059	7.0
123.11710	1.2
124.05190	3.6
125.05993	4.0
125.09609	3.5
126.02141	1.7
126.09890	0.9
126.65250	0.9
129.06993	2.5
131.08565	39.6
137.09610	13.9
139.02695	4.1
139.07527	10.7
139.11223	1.2
144.03226	18.3
148.03934	0.8
149.02295	2.1
149.05957	2.6
149.09618	94.3
150.10023	1.3
152.04674	1.3
158.08881	1.0
162.04343	4.3
167.03397	1.5
167.07036	18.1
167.09424	1.6
167.10667	41.8
167.14333	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.9
56.05039	2.0
56.05851	0.5
56.96568	5.8
57.03422	0.6
61.01323	0.5
67.05508	2.0
67.55656	0.5
68.05033	3.1
69.03430	28.7
69.07074	1.8
70.03760	1.7
70.06594	18.3
71.56618	1.0
75.96004	0.6
79.05493	10.7
80.05004	1.3
81.07056	43.7
82.06586	1.3
82.07379	1.0
82.85276	0.5
83.05000	0.6
83.08620	0.7
84.01208	1.5
84.04504	3.1
84.05305	1.4
84.08127	1.7
84.96042	0.6
86.03261	0.9
86.06068	37.2
91.05459	0.8
92.05814	0.5
93.07040	1.8
94.06564	1.6
95.04957	1.0
95.08606	0.7
96.08131	20.5
98.06056	100.0
98.09705	2.0
99.06374	0.6
100.24346	0.5
101.00876	0.7
102.00943	3.3
102.02236	6.6
103.00642	0.9
103.05411	0.6
103.30631	0.5
107.04958	0.8
107.08579	0.7
108.08975	0.6
110.06066	0.7
112.04759	0.7
112.07608	19.4
119.01916	4.1
119.97321	4.0
120.02000	8.5
120.03277	2.4
120.08111	6.9
120.08920	0.9
121.01643	1.1
121.06509	1.5
121.10218	0.6
122.10545	0.7
122.47562	0.7
124.07590	68.3
128.97844	5.4
131.48094	1.4
137.98332	2.6
138.03030	2.2
138.12735	0.7
139.07498	0.7
140.48634	2.5
142.03481	1.5
142.96703	2.7
143.00154	0.7
143.03625	10.0
144.03232	1.0
148.04784	2.0
148.11128	1.1
149.48944	0.7
151.43788	0.7
151.99457	0.7
161.04668	2.6
165.98260	0.7
166.05003	3.8
166.08682	4.8
166.12257	23.4
167.10741	0.7
169.62177	0.6
179.52489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01859	2.7
55.05510	5.8
56.96558	2.6
57.03441	8.5
57.07068	1.8
61.02924	4.3
65.03936	1.2
67.05505	10.4
67.12039	0.9
69.03433	29.2
69.07066	2.6
71.04985	3.8
71.08619	1.2
71.56481	1.0
73.02897	2.1
79.05485	7.2
81.03429	4.3
81.07056	15.2
82.01425	1.6
82.99820	2.7
83.01506	1.9
83.04988	10.4
83.08624	1.0
85.02495	1.0
85.02906	11.1
85.06521	1.5
91.03957	1.2
91.05489	10.6
93.07069	6.9
95.04966	7.0
95.08610	13.7
99.04446	4.3
100.02485	4.2
101.00890	44.4
101.02551	5.7
103.03928	2.7
105.07027	11.6
107.04968	1.2
107.08598	8.3
109.06518	14.9
109.10163	12.3
111.04457	4.3
117.05449	1.1
117.06979	1.2
118.03510	1.4
119.01925	99.8
119.03642	3.0
119.04911	8.0
119.07785	1.6
119.08580	17.0
119.97295	1.4
120.02004	0.9
120.08076	1.1
121.06474	1.2
121.10143	12.3
122.07326	4.6
122.09647	1.1
122.79400	0.9
123.04484	1.2
123.08070	8.3
123.10001	2.7
123.11706	3.8
124.02451	11.9
124.04088	1.0
128.97862	1.9
129.05476	3.7
132.82579	1.0
133.06433	0.9
137.02968	20.8
137.05968	3.1
137.09618	70.6
142.03502	100.0
142.96727	1.0
143.03613	2.7
147.04413	17.9
147.06494	3.3
147.07938	2.0
147.11681	6.5
150.10425	2.5
150.49728	0.9
160.04572	22.4
165.01863	1.0
165.05319	9.3
165.07542	3.5
165.09102	6.6
165.11191	2.1
165.12755	30.8
165.16362	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03936	2.7
55.01873	4.2
55.05510	9.5
56.96553	2.0
57.03437	18.2
61.02927	8.1
65.03932	1.4
67.05178	1.3
67.05505	16.6
69.03429	52.5
69.07074	5.8
69.81715	1.5
69.82122	2.9
71.04987	5.9
73.02896	3.8
79.05493	19.7
81.03418	6.2
81.07057	49.3
82.01443	1.3
82.83179	0.9
82.99835	5.2
83.01507	2.4
83.04980	23.9
84.53029	0.8
85.02907	22.3
85.06506	1.8
86.99656	0.9
87.04450	2.1
91.03944	2.9
91.05479	17.9
93.07043	18.2
95.04957	10.4
95.08604	12.7
97.06536	4.3
98.20939	1.8
98.21483	1.0
99.04456	10.0
100.02466	2.8
101.00880	40.1
101.02540	5.3
102.02219	1.3
103.03938	3.1
105.04545	1.1
105.07027	28.5
107.04991	0.9
107.08594	12.0
107.60044	0.8
109.06519	8.3
109.10152	3.5
111.04445	9.4
117.05464	1.4
118.03538	1.3
119.01920	100.0
119.03662	3.9
119.04926	6.5
119.08575	22.0
120.02033	1.2
121.10140	21.2
123.04422	1.3
123.08070	4.6
123.11703	5.0
124.02473	12.1
124.04076	0.8
128.97816	1.0
129.05493	7.5
133.06812	1.9
137.02960	18.5
137.09619	2.8
142.03500	91.2
142.96655	1.2
143.03615	2.1
145.99081	0.9
147.04417	19.4
147.06506	5.5
147.08017	1.1
147.11684	38.4
160.04564	18.9
161.04735	1.0
165.05260	10.4
165.07533	8.4
165.09085	3.8
165.12750	45.6
166.05090	1.1
183.06122	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
50.03400	0.8
51.02375	0.8
53.03937	1.6
55.01877	3.8
55.05510	7.5
57.03445	7.0
61.02939	1.6
65.03931	1.5
67.05507	32.4
69.03432	9.8
69.07075	7.5
70.70703	2.2
71.04980	2.0
79.05495	31.7
81.03409	1.1
81.07060	77.1
82.99864	1.1
83.04986	8.4
83.08676	1.1
85.02893	2.2
85.06529	5.2
91.05486	35.0
93.07047	39.9
95.04986	4.9
95.08609	19.8
96.02068	0.8
97.06531	7.0
99.04488	0.9
99.08096	1.6
101.00879	6.2
105.07036	66.1
107.07871	1.1
107.08598	23.1
109.06528	9.7
109.10175	4.4
110.24848	0.8
111.04429	2.1
117.06962	1.1
119.01907	9.5
119.04921	1.5
119.08586	50.0
121.10149	64.9
123.08082	6.9
123.11708	9.7
124.02493	1.0
129.05431	0.7
137.09601	4.8
137.13257	1.9
142.03487	9.8
145.10132	2.3
147.04407	2.4
147.11691	100.0
148.12099	0.8
160.40230	0.8
165.09090	3.6
165.12758	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
50.76501	0.5
53.03962	0.6
55.01867	0.8
55.05511	5.1
56.83704	0.5
57.03424	3.1
61.02926	1.9
67.05515	3.2
69.03432	11.2
69.07061	2.2
70.80843	1.4
71.04992	1.8
73.02916	1.1
79.05515	1.5
81.03413	2.4
81.07065	6.0
82.01451	0.6
82.99849	1.3
83.04980	4.1
83.08634	2.7
85.02911	4.6
89.21559	0.5
91.05480	2.8
93.07068	2.5
95.04969	100.0
95.08595	4.1
96.05303	1.1
98.21429	0.6
99.04456	2.5
100.02450	0.7
101.00885	11.5
101.02600	1.5
105.07043	4.7
105.07700	0.8
107.08595	10.2
109.06525	18.6
109.10144	1.2
110.73637	0.5
111.04439	2.0
119.01924	23.2
119.04922	1.2
119.08586	4.0
121.10155	2.4
123.08060	1.6
123.11718	1.6
124.01630	0.5
124.02426	3.7
124.48258	0.6
129.05469	1.7
137.02979	4.2
137.06032	0.8
137.09619	2.0
137.13249	1.0
142.03503	23.5
143.03581	0.5
147.04413	5.4
147.06526	1.8
147.08118	0.7
147.11687	9.5
160.04581	5.2
165.05293	1.8
165.07555	2.0
165.09088	1.5
165.12756	69.6
166.13121	1.5
167.34773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03950	0.7
55.01876	1.8
55.05508	4.5
56.96567	1.0
57.03437	4.9
57.07074	1.5
58.59693	0.4
59.16810	0.4
61.02934	2.7
64.61069	0.5
65.03935	0.8
67.05504	9.7
69.03426	13.7
69.07063	3.0
69.60839	3.4
71.04999	1.4
71.08630	0.9
71.86075	0.5
72.03796	0.5
77.03948	0.5
79.05502	4.5
81.03423	1.9
81.07058	13.0
82.01420	0.5
82.99851	2.6
83.04980	5.6
83.08625	1.3
85.02898	4.5
87.04482	0.7
91.03962	0.5
91.05473	8.3
93.07040	8.5
95.04969	4.7
95.08611	9.3
97.06521	0.8
99.04435	3.2
100.02493	1.1
101.00884	16.2
101.02581	2.1
105.07036	7.0
107.04956	1.2
107.08595	7.3
109.06515	13.8
109.09464	1.0
109.10156	12.0
110.07339	0.5
111.04444	3.0
117.06971	0.8
119.01923	31.7
119.04911	3.1
119.08577	12.9
119.88506	0.5
120.02011	0.6
121.06483	1.4
121.10145	16.7
122.07271	5.3
123.04483	0.9
123.08069	6.2
123.11739	3.8
123.20419	0.5
124.02454	3.7
128.97813	0.9
129.05524	0.6
135.08049	1.6
137.02963	5.1
137.09616	100.0
137.13228	2.1
138.09962	1.3
142.03505	31.1
143.03783	0.7
147.04416	7.3
147.06482	1.1
147.08057	1.1
147.11708	5.3
148.02180	1.2
150.10327	2.4
160.04565	6.1
165.05357	2.7
165.07536	1.8
165.09122	2.7
165.12755	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03936	1.9
54.46967	0.9
55.01882	4.4
55.05509	9.4
56.96545	1.1
57.03183	1.2
57.03443	13.7
57.07087	1.1
61.02910	3.1
65.03925	1.7
67.05508	33.7
67.57596	0.8
69.03428	17.9
69.07066	10.0
70.70698	2.1
71.04995	4.2
73.01366	0.8
77.03926	1.5
79.05495	37.6
79.88154	0.7
81.03448	2.1
81.07060	100.0
82.01408	1.0
82.99841	2.8
83.01508	1.3
83.04984	13.5
83.08582	1.4
85.02924	5.6
85.06542	4.4
88.02351	0.9
91.05482	37.2
92.47466	1.1
93.07047	36.7
93.07633	2.0
95.04974	11.8
95.08054	1.6
95.08610	22.6
97.06528	10.2
99.04440	2.7
99.08088	1.8
101.00886	20.4
101.02585	2.1
105.07034	60.5
107.08599	23.5
109.06523	15.2
109.10156	4.1
111.04467	2.1
111.08094	1.0
117.07009	1.6
119.01928	34.1
119.04950	1.5
119.08585	50.0
121.10147	52.6
123.08087	8.7
123.11713	10.3
124.02465	5.0
129.05469	2.1
137.02939	5.0
137.09627	2.1
137.13255	2.6
137.56824	0.9
142.03506	35.4
142.07294	1.4
145.10146	1.7
147.03360	1.0
147.04366	4.5
147.06538	2.3
147.11688	92.3
160.04582	4.1
164.89658	0.9
165.05199	3.4
165.07504	2.5
165.12756	92.4
166.13164	1.3
167.49672	0.9
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	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
52.67699	0.3
53.03957	0.3
55.01862	0.6
55.05499	1.1
56.96558	1.5
57.03433	2.0
60.32725	0.3
61.02932	1.9
65.03939	1.2
67.05492	0.9
69.03432	8.3
69.07040	0.4
70.07458	1.4
71.05005	0.9
71.85277	0.3
73.02917	0.6
75.04123	0.4
79.05483	1.1
81.03416	0.8
81.07052	1.5
82.01415	0.6
82.99847	2.5
83.04974	3.0
85.02909	3.3
85.64739	0.3
86.74951	0.3
91.05485	21.4
93.07043	1.2
95.04963	2.7
95.08598	1.0
98.97600	0.4
98.98415	0.3
99.04453	1.4
100.02469	0.6
101.00885	18.9
101.02573	1.0
103.03963	0.5
105.07046	1.1
107.08559	0.5
109.06533	0.9
111.04441	1.4
119.01928	35.5
119.04942	42.2
119.08577	2.4
120.08130	0.6
121.06485	0.4
123.04440	3.6
123.08066	1.2
124.02463	4.2
129.05504	0.9
130.09477	0.3
137.02962	7.1
137.05998	1.1
137.09619	1.1
142.03503	36.2
147.04413	100.0
148.04797	0.6
160.04555	7.5
160.18867	0.3
165.05452	4.2
165.07542	1.6
165.09102	1.9
165.12723	0.7
165.45470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01726	0.7
59.29789	0.6
70.76825	1.2
82.01448	1.5
82.99845	9.7
83.01530	0.7
87.62517	0.6
100.02505	1.5
101.00887	72.2
102.00961	0.9
111.00421	0.9
119.01926	100.0
120.02000	1.6
124.02454	16.3
135.03214	0.6
137.02963	11.8
137.45131	0.5
142.03506	98.2
143.03630	1.1
160.04576	15.1
165.05087	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	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	1.2
60.87106	0.6
65.16949	0.6
70.58749	1.4
77.64350	0.6
82.99838	10.2
95.71049	0.7
101.00883	69.4
109.74262	0.6
116.74320	0.6
119.01923	91.9
120.02020	1.3
124.02448	15.8
137.02959	12.9
142.03499	100.0
142.84451	0.6
143.03638	1.9
152.95103	0.6
157.22078	0.8
160.04565	17.1
165.05095	2.0
167.14401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25582	0.5
70.58965	1.8
73.64900	0.5
82.01442	0.6
82.99840	8.9
85.75210	0.6
86.46046	0.6
100.02512	1.7
101.00880	63.0
102.00967	0.8
111.00393	0.7
119.01918	86.2
120.02100	0.5
121.02357	0.7
124.02452	15.4
132.54106	0.6
137.02957	10.3
137.04010	0.6
142.03496	100.0
143.03615	1.8
160.04553	14.8
165.05103	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03952	5.1
55.01869	3.5
55.05275	0.7
55.05516	12.0
55.77373	0.9
56.96568	5.3
57.03434	2.4
57.07057	3.6
61.02917	1.1
62.48373	1.0
65.03928	1.7
65.13297	1.0
67.05507	6.4
68.11052	0.8
69.03435	14.9
69.07069	9.7
69.87639	4.6
71.04993	2.3
79.05069	1.3
79.05500	22.4
81.03419	1.5
81.07063	16.1
82.01429	1.3
83.04990	1.6
83.08602	2.1
85.02904	1.9
91.05487	19.2
93.07049	57.4
95.04992	6.3
95.08613	4.8
98.97562	3.1
99.04441	1.1
100.02470	4.1
102.96837	1.3
103.05473	12.7
105.02060	1.6
105.04539	1.2
105.07037	28.7
107.04960	6.6
107.08600	61.3
108.09410	1.3
109.06513	3.8
109.10143	2.4
115.05446	2.8
117.07014	9.0
118.03559	1.4
119.01829	1.2
119.04919	1.5
119.08591	10.0
121.06513	11.1
121.10149	27.8
123.08066	1.0
128.02238	1.4
130.06528	1.1
130.07779	5.3
131.04919	15.6
132.08104	2.0
133.02858	3.2
133.06532	1.0
135.04420	5.0
135.05301	0.9
135.08043	6.6
135.11688	20.5
135.12700	1.0
139.91418	0.9
143.05443	1.7
143.08582	0.9
145.06506	3.5
145.10127	30.0
147.08046	1.5
148.08806	2.6
163.03917	23.3
163.07567	9.0
163.11188	100.0
163.14822	7.7
164.11610	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02362	1.3
53.03961	5.3
55.01870	1.5
55.05511	7.2
56.96562	3.3
57.03427	2.3
57.07066	3.9
59.04997	2.3
61.02914	1.7
65.03930	1.7
67.05500	3.0
69.03445	7.1
69.07063	9.7
71.04992	2.2
71.56008	1.1
73.02911	1.4
73.26341	0.9
77.03924	2.1
79.05499	25.0
81.03428	2.2
81.07076	5.9
82.01468	1.4
83.04987	1.6
83.08618	2.3
85.02912	6.0
89.06019	1.9
91.05483	30.5
92.02608	0.9
93.07046	46.4
94.51561	1.0
95.04982	6.3
95.08607	4.1
98.97578	2.7
100.02484	7.0
101.00810	1.3
102.96844	1.3
103.05474	16.9
103.52074	1.4
105.03437	1.5
105.04491	2.6
105.07037	22.0
105.07693	1.8
106.06558	2.5
107.04965	9.6
107.08598	100.0
109.06515	3.2
110.97580	1.1
111.84835	0.9
115.05453	2.9
117.03355	1.6
117.05575	2.5
117.07021	12.3
118.03533	2.2
119.01804	4.3
119.04977	2.2
119.06074	2.2
119.08600	12.5
120.09364	1.5
121.02800	1.0
121.06516	5.8
121.10148	34.0
121.11024	1.7
121.96640	2.2
123.03967	0.9
123.08081	1.6
129.06998	0.9
130.06543	3.9
130.07787	4.5
131.04932	23.5
132.08093	3.7
133.02881	6.4
135.04424	12.4
135.08098	9.1
135.11693	90.9
136.07521	1.5
136.11958	1.1
140.00214	1.3
145.02859	1.8
145.06548	4.4
145.10123	15.9
163.03917	45.5
163.07542	16.4
163.08743	2.1
163.11166	42.5
163.12317	3.9
163.14816	9.0
164.07076	4.1
181.02866	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.88262	1.0
53.03939	5.8
55.01874	15.8
55.05514	11.0
56.96559	6.9
57.03443	7.0
57.07073	2.1
65.03915	1.2
67.05507	24.2
67.08455	1.0
69.03135	1.0
69.03434	11.1
69.07068	10.5
70.37841	4.1
71.04980	3.1
77.03895	1.7
79.05493	53.2
81.03407	7.2
81.06597	1.4
81.07061	23.4
82.01448	1.9
83.04964	6.6
83.08635	1.2
84.84074	1.0
85.02890	1.9
85.21462	1.1
89.03921	6.7
91.05484	31.7
93.03370	1.4
93.07044	64.8
94.51563	1.6
95.04978	14.9
95.08611	20.5
97.06499	2.3
98.97577	3.8
100.02487	4.8
103.05475	7.4
105.04503	1.9
105.07034	34.6
107.04956	25.5
107.08598	51.9
109.06519	4.5
110.01314	1.5
110.97552	1.5
115.05448	4.6
116.06218	2.6
116.98561	1.2
117.03349	4.4
117.07025	33.1
118.03536	1.7
119.01743	1.7
119.04987	2.3
119.06069	1.7
119.08584	19.1
120.05653	1.3
121.06516	22.1
121.10150	18.3
122.07241	1.4
128.02368	1.2
129.06985	1.0
130.07790	13.6
131.04918	4.7
132.08070	2.7
133.02849	5.1
133.10117	4.2
135.04433	15.1
135.08072	12.1
135.11687	31.5
143.08562	2.7
145.02866	5.7
145.06482	3.2
145.10124	58.7
163.03905	45.5
163.07501	4.7
163.11183	100.0
163.14838	4.1
164.07040	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.3
53.03961	5.3
55.01870	1.5
55.05511	7.2
56.96562	3.3
57.03427	2.3
57.07066	3.9
59.04997	2.3
61.02914	1.7
65.03930	1.7
67.05500	3.0
69.03445	7.1
69.07063	9.7
71.04992	2.2
71.56008	1.1
73.02911	1.4
73.26341	0.9
77.03924	2.1
79.05499	25.0
81.03428	2.2
81.07076	5.9
82.01468	1.4
83.04987	1.6
83.08618	2.3
85.02912	6.0
89.06019	1.9
91.05483	30.5
92.02608	0.9
93.07046	46.4
94.51561	1.0
95.04982	6.3
95.08607	4.1
98.97578	2.7
100.02484	7.0
101.00810	1.3
102.96844	1.3
103.05474	16.9
103.52074	1.4
105.03437	1.5
105.04491	2.6
105.07037	22.0
105.07693	1.8
106.06558	2.5
107.04965	9.6
107.08598	100.0
109.06515	3.2
110.97580	1.1
111.84835	0.9
115.05453	2.9
117.03355	1.6
117.05575	2.5
117.07021	12.3
118.03533	2.2
119.01804	4.3
119.04977	2.2
119.06074	2.2
119.08600	12.5
120.09364	1.5
121.02800	1.0
121.06516	5.8
121.10148	34.0
121.11024	1.7
121.96640	2.2
123.03967	0.9
123.08081	1.6
129.06998	0.9
130.06543	3.9
130.07787	4.5
131.04932	23.5
132.08093	3.7
133.02881	6.4
135.04424	12.4
135.08098	9.1
135.11693	90.9
136.07521	1.5
136.11958	1.1
140.00214	1.3
145.02859	1.8
145.06548	4.4
145.10123	15.9
163.03917	45.5
163.07542	16.4
163.08743	2.1
163.11166	42.5
163.12317	3.9
163.14816	9.0
164.07076	4.1
181.02866	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Caudoxirene
Peak:m/z	Relative Intensity
53.03949	6.3
54.00460	1.0
54.67048	0.9
55.01880	4.5
55.05501	3.8
56.96551	2.1
57.03419	1.4
57.07083	1.1
62.23815	0.9
65.03909	1.6
67.05506	29.2
69.03426	1.2
69.07086	4.8
71.56858	1.3
77.03934	2.0
79.05495	56.2
81.03418	11.4
81.07058	17.1
83.04964	4.2
85.02882	1.3
85.06525	2.9
91.04902	1.5
91.05481	28.6
93.07047	40.9
95.04962	10.4
95.08598	4.8
97.06540	9.2
103.05455	1.5
103.52081	1.1
103.92261	1.2
105.03405	1.6
105.04505	2.3
105.07023	10.4
107.04958	10.7
107.08595	30.7
109.06511	2.0
116.33351	1.1
117.07020	15.0
119.01717	1.0
119.04974	1.2
119.08582	28.8
121.06499	8.3
121.09319	1.4
121.10143	15.9
124.71687	0.9
129.07025	1.3
130.07834	2.8
132.08099	1.4
133.02866	8.5
133.10136	2.4
135.04387	8.3
135.08037	4.0
135.11691	31.1
135.12715	1.8
143.08548	1.7
145.06474	1.3
145.10133	33.1
163.03908	45.7
163.07542	2.6
163.11177	100.0
163.14865	2.8
164.07095	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	163.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45906	0.7
53.03952	5.6
55.01861	3.8
55.05516	4.8
56.96536	1.0
57.03432	1.8
57.07077	1.0
63.14681	0.9
65.03929	1.1
67.01865	0.8
67.05508	27.3
69.07088	5.5
70.49490	0.7
71.56461	1.2
77.03890	1.9
79.05495	56.1
80.52096	1.0
81.03424	13.3
81.07059	21.1
83.00776	1.0
83.04970	3.8
84.02192	0.8
85.06539	1.8
90.46384	0.8
91.05488	28.4
93.07049	41.6
95.04961	10.5
95.08618	6.2
97.06534	6.8
100.02480	1.2
103.05457	2.0
105.03389	1.2
105.04521	3.0
105.07035	9.8
107.04956	10.8
107.08596	29.6
109.06512	1.9
110.97550	0.9
115.05494	0.9
117.04173	0.7
117.05604	0.7
117.07018	14.4
119.04932	1.2
119.08584	22.6
121.06522	9.4
121.10143	17.5
122.06082	0.9
123.15708	0.9
130.07773	3.8
131.04915	1.3
133.02855	7.9
133.06499	0.9
133.10126	1.9
135.04424	8.1
135.08081	6.2
135.11696	30.1
143.08560	1.5
145.10124	30.4
163.03906	34.5
163.11185	100.0
163.14825	5.5
164.07034	0.9
164.11523	1.2
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
52.33162	0.6
53.03944	6.9
55.01884	4.2
55.05515	3.4
56.23213	0.6
56.96561	1.9
57.03437	1.1
57.07071	0.9
65.03919	1.2
66.82093	0.6
67.05506	16.5
69.03414	1.0
69.07063	2.6
71.04986	1.1
71.56728	0.8
73.91765	0.6
77.03945	1.6
79.05496	33.6
81.03423	9.7
81.07064	13.8
82.01455	1.1
83.04978	2.5
83.08620	0.8
85.06544	1.4
91.05484	16.9
91.06017	1.4
92.02627	1.0
93.07047	29.8
94.51609	1.0
95.04974	8.3
95.08607	4.8
96.01569	0.6
97.06532	4.1
98.97579	1.8
99.04443	0.7
100.02480	1.9
103.05485	2.5
104.49377	0.6
105.03382	2.9
105.04514	2.2
105.07037	6.7
107.04965	10.9
107.08602	17.5
107.09305	1.5
109.06487	1.5
110.01276	0.9
115.05492	1.3
116.98624	1.1
117.07028	10.8
118.03529	0.8
119.01806	2.2
119.04954	1.5
119.08584	13.8
121.06516	9.1
121.10151	12.3
128.06207	1.0
130.06541	1.4
130.07780	3.4
131.04958	1.4
132.08090	1.1
132.35681	0.7
133.02861	9.9
133.06451	0.8
133.10118	1.5
134.07213	0.8
135.04422	10.2
135.08052	4.6
135.10693	1.0
135.11702	16.9
136.12100	0.7
140.87154	0.7
143.08548	1.2
145.10127	18.1
146.10437	0.7
158.01234	0.8
163.03915	55.1
163.07509	2.3
163.11183	100.0
163.14807	4.6
164.07045	1.6
164.11505	0.9
176.48743	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03941	1.5
55.05514	2.4
57.11489	0.4
58.57529	0.4
65.03935	0.7
67.05505	17.9
69.03429	1.0
69.07065	4.5
70.53819	1.7
75.52278	0.5
77.03922	0.7
79.05493	24.1
81.07058	21.9
83.08625	1.0
91.05482	60.7
93.07046	17.3
93.07639	0.9
95.04970	1.3
95.08604	11.0
95.09171	0.8
98.62923	0.4
103.05440	1.0
105.07032	45.4
107.08576	4.5
115.05445	2.2
117.07017	24.0
117.07864	1.0
119.08582	49.8
120.09421	0.8
128.06213	2.4
131.08551	2.3
132.09348	0.8
133.06567	0.7
133.10132	35.3
134.10536	0.6
143.08566	6.5
146.07257	1.5
146.10921	0.6
159.11679	2.6
161.09628	38.7
161.13255	100.0
162.13576	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.57174	0.7
51.68428	0.8
53.03936	2.0
53.32674	0.7
55.05510	4.1
56.96575	0.8
65.03941	0.9
67.05181	1.0
67.05507	15.0
69.07064	4.7
69.68726	3.7
70.53860	0.7
79.05495	25.4
81.07057	20.2
83.08606	1.4
90.78461	0.7
91.05482	65.3
92.05811	0.9
93.06480	1.3
93.07046	18.6
95.04953	1.3
95.08617	11.7
103.05500	1.8
103.36813	0.7
105.07031	55.2
107.08594	4.6
108.82372	0.7
115.05454	2.4
117.07019	25.7
119.08585	55.4
120.09430	1.1
128.06213	2.5
131.08574	3.0
133.06485	2.3
133.10133	31.8
143.08562	7.0
146.10895	0.9
159.11682	2.1
160.74158	0.7
161.05945	1.3
161.09634	37.2
161.13257	100.0
162.13576	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
52.89401	0.5
53.03948	0.9
55.05513	6.2
56.96573	0.7
65.03941	0.9
67.05505	14.1
69.07066	5.9
69.96826	2.5
76.93755	0.5
79.05492	15.6
81.07057	21.4
83.08599	1.0
90.32624	0.5
91.05482	48.3
93.07040	17.9
93.07628	1.0
94.00056	0.5
95.04996	0.6
95.08611	8.4
103.05435	1.5
104.06248	0.7
105.07030	76.6
106.07339	0.6
107.08595	4.4
115.05436	1.1
117.07004	6.4
119.08579	94.9
131.08615	3.2
132.09355	1.3
133.10130	64.0
134.10513	0.7
143.08583	0.6
145.10153	0.9
146.10887	0.9
159.11682	2.3
159.67456	0.5
161.06010	1.0
161.09697	3.5
161.13255	100.0
162.13564	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03941	0.5
54.30944	0.2
55.05511	6.1
56.96563	0.9
57.03439	0.3
58.02525	0.3
67.05520	0.4
69.03437	0.4
69.07067	2.4
69.55779	0.3
71.56316	0.4
76.65961	0.3
79.05510	2.1
81.07067	0.9
83.08619	0.5
90.98543	0.3
91.05482	6.8
93.07038	1.4
95.04977	0.3
97.02915	0.3
97.10180	0.3
101.00855	0.6
101.95093	0.4
103.05476	1.7
105.07034	18.2
107.08597	1.2
115.05460	1.9
116.05845	0.3
117.07008	2.8
118.04178	0.5
119.01932	0.6
119.08582	100.0
120.08881	1.4
121.10150	3.0
128.06207	0.5
130.07805	0.5
131.08563	1.6
133.06511	3.7
133.10133	17.0
134.10420	0.3
143.01848	0.4
143.08582	1.0
146.03593	0.3
146.07198	0.5
146.10918	1.1
148.63927	0.3
159.11642	1.0
161.03041	0.5
161.05968	3.8
161.07156	0.3
161.09641	5.4
161.10893	0.9
161.13261	23.1
172.38052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01853	0.6
55.05519	0.7
59.32189	0.4
61.45307	0.3
62.31078	0.4
65.91560	0.4
67.05489	1.5
69.03089	0.5
69.03435	7.5
69.07066	0.9
69.83892	0.8
69.84289	1.7
79.05487	2.9
81.07051	2.2
88.02171	0.4
91.05482	8.8
93.07050	4.3
95.04974	0.5
95.08603	1.0
98.21474	0.8
103.05454	0.9
105.07032	36.0
107.04961	1.3
107.08573	0.6
113.43383	0.3
113.83440	0.4
115.05418	0.9
115.55555	0.4
117.07014	2.2
119.04939	0.7
119.08579	11.0
121.06495	10.4
124.69285	0.3
128.06213	5.4
131.04948	2.3
131.08569	1.9
132.05714	0.6
133.06493	2.7
133.10132	20.8
135.47238	0.4
143.08557	10.5
145.06471	2.1
146.07268	17.2
154.93272	0.4
155.06036	0.4
159.08049	1.4
161.09618	100.0
161.13234	11.4
162.09975	1.4
162.11211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	0.6
69.93555	0.7
82.01491	0.2
82.99844	4.5
85.01411	0.3
93.53644	0.2
94.57767	0.2
98.21428	0.2
98.97585	3.5
100.02522	0.2
100.97202	0.8
101.00885	43.6
101.95041	0.4
101.97173	0.4
102.00925	2.1
102.96904	1.2
103.02442	0.3
107.05279	1.2
107.55362	0.4
111.04450	0.8
115.21893	0.2
115.97063	0.3
116.05783	1.5
116.55842	0.4
116.98617	1.1
117.93707	0.2
118.03579	0.2
119.01924	100.0
120.02000	3.5
120.97926	0.4
121.01640	0.4
121.02403	0.4
122.54629	0.2
124.02465	0.6
125.02517	0.5
127.56633	0.2
129.03911	0.2
129.04738	0.8
129.54857	0.3
133.03476	0.2
134.99672	0.4
136.48376	0.8
137.02962	18.8
137.48260	0.4
138.03101	0.3
142.03500	1.6
143.01878	0.5
143.03642	3.4
144.03261	0.5
145.48924	0.6
147.05054	0.2
149.00838	0.2
149.10573	0.2
161.02965	7.0
161.04643	0.9
162.03134	0.2
179.04018	7.1
180.04198	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98386	0.2
53.03938	0.3
55.01854	0.5
55.05518	0.4
56.96549	0.6
61.26132	0.2
62.43718	0.2
67.05508	1.0
67.80592	0.2
69.03432	5.7
69.07052	0.2
69.87317	0.4
69.87725	0.8
70.16447	0.2
78.37204	0.2
79.05496	1.8
81.07047	1.4
91.05481	4.7
93.07046	1.8
95.04996	0.3
95.08572	0.6
103.05446	0.6
105.07034	13.9
107.04967	0.3
107.08591	0.3
115.05449	0.9
116.51814	0.2
117.07008	1.6
118.07777	0.2
119.04933	0.3
119.08580	4.6
119.80946	0.2
121.06516	0.5
128.06209	3.8
131.04916	0.7
131.08575	0.8
132.05708	1.1
133.06496	2.2
133.10130	7.6
143.08556	6.3
145.06467	2.6
146.07271	4.1
155.06049	0.4
159.08064	3.8
161.06091	1.7
161.09616	100.0
161.13240	6.0
162.09955	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05504	0.5
56.12151	0.3
56.96552	1.5
64.97808	0.5
67.05505	3.1
69.87069	1.4
69.87488	0.6
71.06934	0.4
72.04520	0.4
76.92860	3.0
76.93361	2.6
77.40141	0.3
79.05502	2.3
79.15385	0.3
81.07066	1.7
83.98682	0.3
91.05487	8.6
93.07072	0.9
94.94437	0.7
98.09702	0.4
98.97587	3.1
99.10025	0.9
103.05459	0.6
105.07035	16.0
113.02368	1.5
115.05435	2.4
116.06265	2.0
116.98618	1.8
117.07023	19.9
117.22667	0.4
117.96017	2.7
117.99027	0.6
119.08588	8.5
124.58854	0.5
128.06230	1.5
129.07011	10.1
130.07794	4.2
131.04922	0.5
131.08572	32.7
132.08904	0.6
133.59415	0.4
134.99663	1.1
135.97015	0.8
140.77805	0.4
141.01843	4.9
141.14708	0.6
142.07773	1.4
143.08530	1.3
144.05708	1.4
144.09363	20.6
157.10133	3.8
158.98578	0.4
159.08109	9.5
159.11697	100.0
159.15747	6.0
160.12032	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05520	0.8
56.96573	4.6
60.04547	0.6
67.05506	3.0
68.05846	0.6
71.56739	0.7
76.92901	0.9
76.93375	2.1
79.05505	2.0
81.07067	2.0
81.13229	0.5
89.36222	0.5
91.05479	13.5
93.07050	1.0
95.52770	0.6
98.97585	3.7
99.10060	0.8
99.97977	0.6
103.05502	0.7
104.03114	0.9
105.07031	16.9
108.00919	0.6
113.02355	1.2
115.05452	3.5
116.06244	1.8
116.98624	1.6
117.07021	29.7
117.95971	2.0
119.08581	7.8
126.05128	0.7
126.55318	1.5
128.06216	0.7
129.07010	11.5
130.07797	14.8
131.08569	72.0
132.08928	1.2
135.55869	1.5
135.97047	0.9
141.01820	4.8
142.07816	0.8
143.08571	1.3
144.09343	15.7
157.10133	3.4
159.08217	2.6
159.11693	100.0
159.15704	4.6
160.12003	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73988	0.5
53.03943	0.7
55.02595	0.5
59.41186	0.5
67.05507	5.5
69.72383	2.9
71.04990	0.6
76.92889	0.5
79.05489	5.9
81.07050	6.4
91.05485	15.3
93.07068	3.0
95.04998	0.6
98.09723	0.5
99.10033	0.7
103.05434	0.9
105.07037	15.6
113.02441	0.7
115.05451	3.7
116.06272	1.0
117.07023	45.9
117.96002	0.7
118.07887	1.0
119.08583	2.5
128.06163	0.6
128.07166	0.6
129.07025	5.1
130.07799	6.9
131.08577	61.1
132.08881	1.1
141.01819	3.2
144.09357	5.2
147.98515	0.5
157.10132	3.0
159.11699	100.0
159.15762	4.8
160.12012	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.79765	0.6
62.28362	0.6
64.97818	0.7
66.84548	0.5
67.05183	0.6
67.05508	7.1
69.93410	0.6
70.06613	0.9
71.04996	0.7
76.92848	2.0
76.93348	1.5
79.05496	7.7
81.07055	7.8
87.04429	0.8
91.05482	18.4
93.07051	3.2
95.04964	0.8
98.09707	1.2
98.97555	1.0
99.10017	1.6
103.05477	0.7
105.07040	17.5
113.02352	1.4
113.07959	0.7
115.05447	1.8
116.06241	0.9
117.07020	55.1
117.95963	1.8
118.07841	1.1
119.08541	1.3
129.07024	5.4
130.07790	4.1
131.08572	68.1
135.97002	1.3
141.01830	6.3
141.14626	1.4
142.07730	1.0
144.09354	3.7
157.10149	3.4
157.76758	0.6
159.08182	3.3
159.11694	100.0
159.15785	9.7
160.09743	0.8
160.12032	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10484	0.4
55.05504	1.1
55.17712	0.4
56.96548	0.6
65.03905	0.5
67.05502	5.7
70.06553	0.8
71.04959	0.6
71.56502	1.0
72.04516	0.6
75.06326	0.4
76.92856	3.5
76.93367	1.6
79.05493	6.9
81.07060	7.2
91.05479	18.1
93.07035	2.6
95.04974	0.8
98.97584	0.7
99.10022	1.7
103.05467	1.2
105.07036	14.7
109.55379	0.6
113.02342	1.7
113.07948	0.8
115.05461	3.2
116.06216	1.5
117.07019	47.5
117.95975	1.6
118.07801	0.9
119.08540	2.6
129.07004	5.4
130.07780	4.3
131.08571	60.9
132.08885	0.8
134.99617	0.5
135.96994	1.0
141.01817	7.3
141.14706	0.9
144.09375	4.2
157.10141	2.4
159.08128	3.3
159.11693	100.0
159.15770	9.6
160.09706	0.6
160.12067	1.4
161.54314	0.6
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
55.05511	1.2
56.96559	0.8
59.20627	0.7
67.05511	5.4
71.07623	1.1
72.20959	0.6
76.92879	1.2
76.93346	0.8
79.05494	7.9
81.07060	6.8
88.45204	0.6
91.05487	16.6
93.07047	3.0
95.08582	0.7
96.68809	0.6
98.97605	0.7
99.10023	0.8
105.07037	15.7
113.02325	0.8
115.05449	4.1
116.06200	1.3
117.07023	47.6
117.95932	0.9
118.07869	1.5
119.08569	2.2
129.06989	5.2
130.07803	5.5
131.08577	62.3
141.01852	3.2
141.14719	0.9
142.07794	0.7
144.09344	6.3
157.10159	2.5
159.08064	1.9
159.11699	100.0
159.15790	4.2
160.12047	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.05513	1.2
56.96579	1.1
57.03440	0.9
67.05508	5.5
68.05848	0.6
70.23170	1.6
71.05005	0.4
73.70302	0.4
76.92873	1.1
76.93371	1.5
78.52996	0.4
79.05490	6.8
81.07061	6.7
86.02931	0.5
91.05483	20.0
91.53755	0.4
93.07032	3.6
95.08572	0.9
97.53700	0.6
98.09714	0.6
98.97570	1.0
99.10047	1.2
100.02473	0.9
103.05453	0.7
105.07034	15.0
113.02333	0.9
115.05435	2.6
116.06246	1.3
116.98631	1.4
117.07018	47.2
117.95975	1.8
118.03481	0.5
118.07828	1.4
119.08611	2.3
127.06834	0.4
128.06271	0.5
129.07005	5.9
130.07787	5.2
131.08571	67.6
131.99724	0.4
132.08879	1.3
132.33258	0.4
138.57620	0.5
141.01819	5.4
141.14697	0.5
142.07764	0.5
144.05780	0.5
144.09352	5.1
157.10144	2.7
159.08182	2.7
159.11691	100.0
159.15756	6.6
160.12013	1.6
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	Unknow
Peak:m/z	Relative Intensity
52.73988	0.5
53.03943	0.7
55.02595	0.5
59.41186	0.5
67.05507	5.5
69.72383	2.9
71.04990	0.6
76.92889	0.5
79.05489	5.9
81.07050	6.4
91.05485	15.3
93.07068	3.0
95.04998	0.6
98.09723	0.5
99.10033	0.7
103.05434	0.9
105.07037	15.6
113.02441	0.7
115.05451	3.7
116.06272	1.0
117.07023	45.9
117.96002	0.7
118.07887	1.0
119.08583	2.5
128.06163	0.6
128.07166	0.6
129.07025	5.1
130.07799	6.9
131.08577	61.1
132.08881	1.1
141.01819	3.2
144.09357	5.2
147.98515	0.5
157.10132	3.0
159.11699	100.0
159.15762	4.8
160.12012	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21717	0.4
55.05521	0.6
56.96567	2.5
58.06583	0.4
65.03945	0.4
67.05505	6.1
69.03452	0.4
71.57122	0.6
72.08178	0.4
76.36749	0.4
76.92881	1.6
76.93379	3.5
79.05491	6.1
81.07057	6.0
85.02856	0.4
91.05481	18.0
93.07033	2.6
94.73948	0.4
94.94423	0.6
95.04950	0.7
98.09687	0.8
98.97581	3.5
99.04456	0.4
99.10020	1.8
103.05461	0.9
105.07036	15.9
113.02373	1.9
115.05444	2.6
116.06211	1.3
116.98618	2.3
117.07017	44.5
117.95975	3.6
118.07849	0.8
119.08592	2.9
126.56160	0.5
128.06213	0.7
129.07007	6.2
130.07806	3.5
131.08568	55.9
132.08939	0.6
134.99667	1.5
135.97006	1.5
138.06876	0.7
140.00121	0.4
141.01822	7.4
141.14655	0.9
142.07713	0.7
143.08534	0.8
144.05646	0.7
144.09349	8.9
157.10129	3.2
159.03043	0.5
159.08119	5.4
159.11690	100.0
159.15755	8.1
160.12074	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03947	0.4
55.05516	0.5
55.22662	0.3
56.96556	0.9
59.40042	0.3
67.05505	4.5
70.06575	0.3
71.56613	0.4
76.92868	0.6
76.93375	0.8
79.05495	6.6
81.07053	6.0
91.05483	17.3
91.53751	0.4
93.07057	2.6
98.97593	0.6
99.10040	0.7
103.05496	0.6
105.07035	14.5
113.02367	0.9
115.05453	3.6
116.06242	1.4
117.07020	46.7
117.95985	1.0
118.07798	0.8
119.08594	2.7
128.06250	0.6
129.07008	6.3
130.07799	6.8
131.08571	61.6
132.08913	0.9
140.06361	0.3
141.01831	3.2
141.14667	0.5
142.07799	0.6
143.08556	0.4
144.05681	0.8
144.09352	5.7
157.10135	2.6
159.08131	3.3
159.11693	100.0
159.15724	4.3
160.12032	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20053	0.4
55.05509	3.1
56.05035	2.3
56.34544	0.5
56.96568	8.1
57.03440	4.0
58.06623	0.6
59.75781	0.4
60.04525	16.2
65.51704	0.4
67.05502	1.3
69.07067	5.1
70.00932	1.8
70.06590	3.3
71.05019	0.6
71.95257	2.4
74.06083	3.5
79.05492	2.6
81.07056	23.7
85.89243	0.4
86.09708	6.5
95.08612	1.2
98.06059	1.3
98.09694	24.1
98.21384	0.5
98.97584	100.0
99.08090	17.5
99.08745	0.6
101.00744	0.4
112.07578	2.2
114.05488	0.5
116.07083	1.4
116.10733	5.1
116.97256	1.3
116.98621	48.8
117.95979	0.4
117.98974	0.5
123.08033	0.5
128.07051	0.4
128.10724	6.4
130.06570	0.8
134.99654	14.4
140.00194	2.1
140.10690	1.8
140.14326	1.8
152.97070	0.5
153.00700	1.0
158.01280	0.7
158.06000	2.1
158.08104	0.8
158.09630	2.7
158.11766	17.5
158.15401	20.7
170.65985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
56.05028	1.4
56.96563	11.4
57.03436	9.3
58.06601	1.0
60.04527	24.8
67.05512	3.4
69.07056	1.2
69.64449	0.5
69.90186	2.1
70.06595	6.6
71.04995	1.4
71.95269	3.4
72.08157	44.1
76.93369	0.6
79.05492	1.7
81.07073	6.2
84.04498	1.2
84.08131	1.7
85.02912	0.6
86.09715	5.1
88.64703	0.6
91.05487	0.6
93.86936	0.5
95.04966	0.7
95.08575	0.9
97.53190	0.6
98.06051	1.8
98.09695	24.4
98.20670	0.7
98.97587	100.0
99.08099	2.9
110.09621	0.6
112.07614	4.5
114.09144	4.2
115.96500	0.7
116.07056	1.0
116.10732	11.9
116.98624	59.7
117.91412	0.6
117.96021	0.9
121.10194	0.5
130.06548	1.0
134.99664	19.9
140.00217	2.9
140.03406	3.4
140.07043	1.2
140.10719	0.7
140.14377	4.6
141.01805	1.0
142.98573	2.7
153.00685	1.1
158.00034	8.7
158.01161	2.2
158.06013	1.5
158.08142	2.5
158.09654	12.3
158.11775	33.7
158.15404	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	158.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94191	0.2
54.98635	0.3
56.96292	0.4
56.96566	6.0
57.97330	0.2
64.36832	0.2
70.78406	0.4
70.78758	0.3
71.95267	1.7
98.15929	0.2
98.97588	100.0
99.97920	0.3
116.98623	38.7
117.98892	0.2
134.99660	8.4
140.00174	1.2
141.96997	0.2
148.44186	0.2
153.00714	0.4
158.01251	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.1
56.72845	0.7
56.96340	0.9
56.96568	10.9
57.03424	2.0
58.99866	0.9
61.02927	6.2
69.03410	2.2
70.06594	1.0
70.38340	2.3
70.95856	0.7
70.98110	1.0
70.99855	2.2
72.08075	0.8
73.02912	2.3
74.93170	1.7
75.01045	1.2
77.00888	1.0
77.52197	1.0
78.52961	5.1
82.01442	7.7
82.99844	7.2
83.00761	1.5
83.01527	1.9
83.06097	1.6
84.01564	2.5
85.01413	1.4
85.02911	1.1
86.06013	0.8
86.52692	1.5
87.50076	0.7
89.00856	1.0
91.00528	1.0
91.02440	2.0
92.01316	1.9
92.52681	4.8
94.51566	0.9
95.01328	2.3
95.06093	1.5
97.02898	1.3
97.99180	0.9
98.09695	30.5
98.21505	0.9
98.97584	2.7
100.02481	11.9
101.00884	60.4
101.02564	3.2
102.00999	1.6
103.01376	1.3
103.02445	2.0
104.01268	1.9
108.00513	0.8
109.02296	0.9
110.01352	1.3
110.02148	1.0
110.07172	18.9
110.97546	1.0
111.02025	0.8
112.01007	0.8
113.00898	1.1
113.01775	2.5
113.53175	1.0
114.04046	2.6
115.00616	1.1
115.02421	5.7
116.98578	0.9
117.01949	1.1
118.03525	3.0
119.01921	100.0
120.02010	2.4
121.01559	1.1
121.02334	0.8
121.03518	0.8
122.02347	0.8
123.49168	1.1
124.02450	9.8
126.98750	0.7
127.03929	0.8
131.00185	3.5
131.01912	2.6
132.01993	1.3
132.05019	1.2
132.49750	1.5
132.95833	1.5
133.01642	2.8
133.03462	19.3
134.03543	0.8
137.02959	14.2
142.03503	68.6
142.96484	0.9
143.03612	1.7
144.99846	1.4
146.78407	0.8
149.01208	2.7
150.96930	1.0
151.04497	4.2
156.03642	1.6
156.05078	2.0
156.07718	2.4
156.10178	1.7
156.13829	7.6
160.04564	11.9
165.05096	0.9
168.01390	1.9
168.99821	2.3
174.06097	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03938	0.9
55.01888	1.2
55.05512	16.4
56.96566	1.0
57.03435	3.0
57.07073	1.7
59.05001	4.0
63.08788	0.3
65.03944	2.0
67.05505	100.0
68.05837	0.6
69.03446	0.6
69.07066	2.1
69.41402	2.2
70.98103	0.4
71.04995	2.5
72.93790	9.6
72.94200	0.6
79.05487	2.9
80.06315	0.4
81.07056	16.2
82.07411	0.3
83.04974	0.9
83.08622	5.5
85.06554	2.4
90.94823	1.9
91.05483	4.5
93.07041	1.9
95.04980	1.2
95.08607	3.6
98.09689	4.7
98.10269	0.4
99.04485	0.4
107.08606	2.1
107.90388	0.2
109.06515	1.5
109.10159	22.3
110.10479	0.3
111.04440	0.3
111.08080	3.1
111.08754	0.3
112.01014	0.5
113.96404	7.8
113.97163	0.5
119.08575	1.3
121.01575	0.5
127.03953	0.7
127.07577	0.4
131.05417	0.3
131.97423	3.7
133.06808	0.3
137.06090	0.5
137.09566	1.2
140.89246	0.3
154.99072	0.7
155.03458	0.3
155.07095	1.3
155.08598	1.1
155.10716	0.9
156.13904	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
52.14269	0.3
53.03942	1.2
54.89799	0.3
55.01873	0.6
55.05510	10.0
56.96578	0.4
57.03436	3.9
57.07074	1.5
59.05008	0.6
62.19902	0.3
65.03936	1.8
67.05503	74.7
68.05832	0.7
69.03429	8.6
69.07063	6.5
69.99998	1.3
71.04995	9.5
72.93787	9.2
79.05492	7.3
81.03423	0.5
81.07054	51.4
82.04186	0.4
82.07374	0.4
83.04983	1.9
83.08611	0.6
85.06542	3.9
87.88283	0.3
90.14378	0.4
90.94820	1.5
91.05484	1.7
93.07050	3.6
95.04961	3.9
95.08604	16.9
97.06524	7.1
98.09665	1.9
98.21353	0.4
99.04453	8.9
99.08088	6.5
101.05989	0.5
107.08592	2.8
109.06512	1.6
109.10152	100.0
110.10501	1.6
111.04437	0.5
111.08100	0.8
112.31859	0.4
113.06004	2.0
113.96397	8.1
119.08579	1.5
123.04400	0.6
127.03917	0.4
127.07545	0.8
131.97429	3.1
132.95781	0.6
137.05946	1.1
137.09604	7.3
137.13193	0.6
140.04576	0.4
143.99628	0.4
153.44055	0.3
155.07007	1.2
155.08385	0.3
155.10651	1.8
156.13893	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1067
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03944	1.5
55.01875	2.7
55.05512	10.0
56.96568	1.8
57.03441	4.6
57.07077	7.8
57.30395	0.5
59.04999	0.8
65.03956	2.2
66.70158	0.4
67.05505	75.5
69.03432	11.3
69.03698	0.3
69.07066	6.6
70.14083	0.4
70.95858	1.0
71.04990	12.4
71.55959	0.5
71.65733	0.4
71.78991	0.4
72.93789	42.7
73.02901	1.2
79.05490	8.9
81.03413	1.4
81.07056	58.1
83.04981	6.3
83.08633	0.8
85.02916	0.8
85.06542	5.9
90.94831	7.9
91.05490	3.5
93.07037	4.7
95.04971	6.6
95.08607	19.7
97.06530	8.6
98.09694	7.1
98.97586	0.5
99.04452	9.7
99.08099	5.4
101.06021	0.5
102.35160	0.5
107.08600	3.0
108.95867	0.5
109.02898	0.8
109.06525	10.0
109.10157	100.0
110.10488	1.7
111.04443	1.4
111.08058	1.1
111.98463	0.5
112.01001	0.5
113.06039	3.3
113.09642	0.5
113.96404	31.0
119.04942	1.1
119.08563	2.7
123.04402	0.9
127.03928	1.4
127.07565	1.1
131.96399	0.7
131.97443	13.8
132.95824	3.0
137.05974	4.4
137.09610	8.4
137.13179	0.7
150.96884	2.6
154.99016	1.5
155.03323	0.7
155.07048	6.1
155.08302	0.9
155.10628	3.0
155.14264	1.3
156.13831	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	155.1067
Annotation	Crocusatin A
Peak:m/z	Relative Intensity
53.03947	1.7
55.01881	4.8
55.05511	7.7
55.93507	1.3
56.96576	5.0
57.03436	2.9
57.07077	21.0
59.05000	4.9
65.03951	2.8
67.05507	39.1
68.04997	0.9
68.05844	1.6
69.03435	43.1
69.07067	10.6
70.68277	2.0
70.68671	1.9
70.95844	4.4
71.01356	8.9
71.04998	36.2
71.08613	1.5
72.93793	100.0
73.02907	2.3
79.05494	8.9
81.03425	4.2
81.07058	24.0
82.06605	1.0
83.04985	11.8
83.08645	1.6
85.02917	4.2
85.06549	12.7
85.10190	1.7
87.04475	1.7
90.94834	20.1
91.05484	9.7
93.07058	3.7
95.04977	15.2
95.08611	28.5
96.05315	1.9
97.06538	10.4
97.99182	1.1
98.09700	17.6
98.97623	2.2
99.04451	19.2
99.08089	1.0
107.04926	1.4
107.08623	1.4
108.95888	1.7
109.02875	1.7
109.06526	17.0
109.08484	2.6
109.10162	46.8
111.04443	5.3
111.08092	7.6
111.98490	2.3
113.06010	24.3
113.09616	2.9
113.96408	77.2
116.98646	1.1
119.04935	1.4
119.08587	3.7
119.97323	1.4
122.07306	11.6
123.04423	3.1
127.03925	4.1
127.07568	3.9
131.96394	1.6
131.97443	32.3
132.95839	8.4
137.06026	7.4
137.08031	12.7
137.09622	59.6
141.05327	1.0
144.65240	1.0
149.97255	1.9
150.96867	6.8
154.99043	1.7
155.03392	2.9
155.07069	12.8
155.08362	1.0
155.08879	2.1
155.10670	17.1
155.14288	3.5
155.97423	1.2
156.10208	1.1
156.13884	4.2
163.04260	1.0
173.98578	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03939	3.0
53.40447	1.2
54.73524	1.7
55.01860	5.0
55.05513	16.5
56.96558	4.9
57.03435	4.6
57.07075	3.9
59.05016	10.4
65.03938	2.7
67.01890	1.2
67.05506	100.0
68.45406	1.4
69.03426	3.4
69.07072	29.7
70.67002	2.4
70.67341	3.6
70.98127	3.1
71.01348	3.8
71.04993	15.0
72.93791	86.4
79.05499	9.2
80.12560	1.5
81.07052	21.9
83.04979	6.5
83.08623	3.1
85.02872	2.2
85.06532	4.7
85.10178	5.4
87.04469	3.1
88.74934	1.3
90.94833	19.0
91.05463	5.6
93.07045	5.5
95.04966	13.0
95.08615	29.6
97.06544	31.3
98.09692	41.3
98.98454	1.8
99.04443	4.3
100.89201	1.3
106.70836	1.5
107.08598	2.9
109.02865	2.4
109.06521	12.1
109.10159	45.3
111.04475	3.3
111.08065	3.3
112.01019	2.4
113.06016	5.6
113.09656	10.0
113.95608	3.6
113.96405	72.9
119.04980	1.6
119.08605	3.4
121.01524	3.2
123.04411	1.7
127.03893	3.6
127.07571	2.7
131.97438	35.4
131.98380	2.9
137.05997	4.7
137.09618	45.1
150.96884	1.9
153.06966	1.7
154.99004	6.7
155.03412	3.3
155.07039	10.8
155.08563	11.9
155.10658	22.2
155.14307	4.6
156.13840	7.0
156.98064	1.4
167.50598	1.6
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	4-Deoxypyridoxine
Peak:m/z	Relative Intensity
53.03960	0.7
55.01873	1.9
55.05533	1.3
56.96568	4.6
56.96812	0.4
57.03448	0.7
57.07089	0.9
65.03941	4.3
67.05505	22.4
68.05025	1.8
68.96365	0.5
69.03435	3.3
69.07095	1.2
70.23196	1.1
70.94271	0.4
70.98144	0.6
71.01375	0.7
71.04990	2.6
71.94128	1.2
71.95274	2.7
72.93790	8.3
73.02930	0.4
79.05486	2.0
80.05030	3.0
80.05846	1.2
81.03444	0.6
81.07063	6.0
82.06602	1.4
82.07412	1.2
83.05003	1.4
84.05334	0.6
84.08203	0.5
85.06581	0.4
87.04504	1.5
89.82581	0.4
90.94845	2.2
91.05484	4.3
93.05793	2.9
93.07074	1.1
94.02935	0.5
94.06590	1.3
94.07407	0.8
95.04973	21.6
95.08640	1.6
96.01571	0.4
96.05329	0.7
97.06569	1.0
97.99212	0.6
99.04482	1.2
99.55331	0.3
100.02505	1.1
103.38162	0.4
106.41443	0.3
108.04481	3.8
108.08128	11.2
108.08878	0.9
109.02885	0.4
109.06525	2.6
109.10161	2.7
110.06059	4.5
110.06808	0.6
111.04499	0.6
111.08115	0.6
112.07661	0.5
112.96703	0.7
113.06020	1.4
113.96411	6.2
115.52110	0.6
118.06575	1.4
119.01843	0.5
119.03631	0.6
119.04927	0.7
122.06061	0.4
122.07319	0.6
123.53646	1.1
126.05533	0.9
126.09171	1.5
128.97798	0.4
130.96313	1.3
131.97441	3.8
136.07581	100.0
137.05959	1.7
137.07948	1.0
137.09607	2.7
148.97333	1.2
154.04988	1.7
154.08626	19.6
154.12155	0.5
155.07027	0.9
155.10611	1.2
162.38391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	10.2
56.96566	100.0
57.03427	4.4
58.77672	1.4
59.05003	6.2
65.03928	1.8
67.05505	94.0
68.05009	3.9
68.05830	2.3
69.03416	1.7
69.07053	3.3
70.20256	5.3
70.98122	98.4
71.04988	4.5
71.94098	7.5
71.94885	1.7
71.95269	26.5
72.93793	21.3
74.97585	4.1
75.01057	1.9
79.05482	4.6
80.05015	1.9
81.07053	14.3
83.04965	2.4
83.08631	7.3
84.96027	1.1
85.06536	2.4
87.04473	7.1
88.99159	34.6
88.99706	2.1
90.94821	6.1
91.05475	9.5
93.07049	4.4
93.66266	1.2
95.08617	7.1
97.02901	2.1
97.06551	1.5
97.99168	5.1
98.21077	3.0
100.03674	1.5
104.01260	1.8
107.00188	8.9
107.08585	2.0
108.04517	1.6
108.08154	2.2
109.04057	1.5
109.06508	2.8
109.10158	82.8
110.01290	3.3
110.10481	5.1
111.08066	5.3
112.00730	2.7
112.03975	1.7
112.04782	1.2
112.07615	2.1
112.96702	5.3
112.97884	1.8
113.96402	19.4
115.04156	7.3
115.52080	1.8
116.04908	2.1
118.06490	1.9
119.01802	2.7
119.08595	5.8
119.53367	4.3
122.04904	1.9
124.04652	5.3
125.05368	2.1
125.25064	1.2
126.06142	2.1
126.09147	1.5
129.57314	1.1
130.01750	2.4
130.97691	1.8
131.05426	16.4
131.55595	1.8
131.97441	12.0
135.06528	3.2
135.55406	1.6
136.03937	1.7
136.07576	16.7
137.05981	4.5
137.09586	3.6
140.05917	12.7
140.34543	1.3
142.56226	5.4
151.56746	3.3
154.04976	5.1
154.08652	8.2
154.12262	2.2
154.91310	1.2
154.98972	1.5
155.06946	1.9
155.10632	2.9
173.11766	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.26650	1.2
53.00296	2.0
53.03938	3.8
53.86950	1.4
55.05511	13.5
59.05009	8.3
62.67620	1.2
65.03920	2.5
67.05499	6.5
69.07069	11.0
69.70742	6.5
70.94257	1.3
71.04995	47.4
73.06555	23.7
77.03934	1.5
79.05077	1.5
79.05501	25.9
81.07059	100.0
83.04985	1.7
83.58717	1.4
85.06523	1.5
91.05466	8.2
93.03404	4.7
93.07045	45.8
95.04964	5.1
95.08595	7.9
97.06560	8.2
98.21545	1.5
105.07018	2.2
107.08601	40.1
108.09060	1.4
109.06509	1.5
109.10162	9.5
111.04447	4.4
111.08073	3.5
111.96902	1.9
119.08578	1.7
125.05988	1.9
125.09579	1.7
135.11691	30.7
153.05470	2.0
153.09105	2.5
153.12779	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03938	4.1
55.01874	2.2
55.05514	13.1
56.96558	3.7
57.03437	3.6
57.41602	1.3
59.05011	8.9
60.46930	1.2
65.03938	6.4
67.05508	6.8
67.05811	1.2
69.03421	3.2
69.07082	8.8
70.72665	3.1
70.73026	1.3
70.94238	4.5
70.95844	1.6
71.04997	37.9
73.06556	21.1
75.24242	1.3
77.48589	1.3
79.05495	32.6
81.07059	100.0
81.24109	1.2
83.04963	3.8
83.08578	1.3
85.06544	1.5
89.33833	1.2
91.05486	10.4
93.03384	7.6
93.07048	44.7
95.04958	5.4
95.08624	8.9
97.03457	1.2
97.06545	10.3
105.07013	3.6
107.04964	8.1
107.07872	2.3
107.08601	45.8
109.06516	4.5
109.10177	8.6
111.04443	8.0
111.08060	5.4
111.96874	2.4
117.06990	2.0
124.80550	1.7
125.05997	5.9
125.09622	1.8
129.97919	2.4
135.04445	3.1
135.08061	4.4
135.11693	36.1
136.07556	1.4
148.14380	1.2
153.05457	5.2
153.09100	5.1
153.12755	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03947	2.5
55.01860	1.5
55.05513	6.6
56.96560	3.5
57.03437	2.9
57.07072	1.8
59.04988	2.4
62.57885	1.0
65.03944	56.8
67.05506	13.2
69.03420	2.2
69.07071	11.6
69.79745	5.6
70.94250	3.8
71.04980	3.9
73.06573	1.6
79.05492	20.0
81.03419	1.3
81.07059	19.8
83.04980	15.1
83.08620	3.8
85.06548	1.6
91.05476	16.2
91.44901	1.2
93.03410	71.1
93.07043	67.2
95.04971	10.7
95.08610	53.6
97.06536	27.6
97.99228	1.3
105.07008	5.5
107.04963	3.4
107.08595	100.0
108.08942	1.5
109.06525	3.9
109.10159	26.6
110.03678	9.6
111.04443	78.2
111.08083	5.1
111.96875	3.2
125.05997	57.7
125.09626	1.7
134.06046	3.1
135.04417	2.1
135.08057	55.4
135.11693	52.7
139.30652	1.1
153.05486	25.1
153.09181	6.2
153.12756	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03927	3.0
55.01857	1.1
55.05312	0.8
55.05513	9.4
55.51790	1.0
56.96552	3.3
57.03437	2.7
57.07072	1.8
59.04987	3.6
65.03939	66.9
67.05502	13.9
69.03407	3.8
69.04425	0.8
69.07064	11.3
69.79559	5.1
70.94244	4.2
70.95847	1.4
71.04983	3.2
71.95264	1.0
79.05486	15.5
81.03406	2.2
81.07058	21.9
82.92157	0.9
83.04982	16.7
83.08614	3.7
85.06512	1.1
91.05483	10.7
93.03406	80.9
93.07042	66.9
95.04973	9.4
95.08607	52.0
97.02917	1.1
97.06530	25.8
97.24304	1.0
98.21424	1.4
105.04449	0.9
105.07028	3.7
107.04942	2.9
107.08593	93.5
109.06514	3.7
109.10153	26.2
110.03661	11.0
111.04442	100.0
111.08060	6.6
111.96886	3.5
112.04840	1.1
119.06067	1.3
125.05993	69.3
125.09654	2.0
129.97868	1.6
134.06015	2.6
135.04439	2.1
135.08058	15.5
135.11691	50.7
136.07504	1.9
153.05466	30.2
153.09106	4.2
153.12743	42.4
154.08589	1.4
158.75510	0.9
165.04959	0.9
165.58788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.83349	1.6
53.03941	3.9
55.01867	3.6
55.05518	17.2
56.96552	7.1
57.03418	3.1
57.07060	3.4
57.73491	1.5
58.05595	1.8
59.04999	9.8
65.03937	22.4
67.05504	11.5
68.99772	5.0
69.03414	4.2
69.07073	15.3
70.74894	3.3
70.75230	3.3
70.94266	10.8
70.95866	4.1
71.04995	37.4
71.95264	4.5
73.06554	21.8
77.72327	1.5
78.35532	1.7
79.05074	2.7
79.05495	35.2
81.07057	100.0
83.04972	14.0
83.08645	2.5
85.06515	2.0
85.36050	1.7
87.09236	1.8
88.95280	3.4
89.07357	2.2
91.05481	10.9
93.03407	22.8
93.07049	58.4
95.04960	5.4
95.08604	16.8
97.02905	1.7
97.06544	14.5
101.62733	1.6
105.06992	3.2
105.55542	2.0
107.04937	6.1
107.08595	48.9
109.06506	4.9
109.10152	13.6
110.01199	1.8
110.03653	3.2
111.03723	2.2
111.04448	32.1
111.08067	13.8
111.96890	9.6
117.07027	1.6
118.50301	1.7
119.01856	1.7
119.08538	1.9
119.69644	1.6
121.02838	2.1
125.05995	24.0
125.09604	2.3
129.97903	5.8
135.04433	3.6
135.08034	6.1
135.11694	39.9
136.07565	6.3
153.01823	2.5
153.05453	14.3
153.09108	7.8
153.12767	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	153.0911
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03942	6.7
55.01876	11.1
55.05515	26.4
56.96549	5.6
57.03431	9.9
57.07051	1.7
59.04985	6.4
65.03941	21.6
67.05506	43.2
69.03431	54.9
69.03812	2.8
69.07073	15.2
70.06561	1.4
70.94258	11.4
70.95849	5.6
71.01340	1.8
71.04990	27.0
71.12253	1.3
71.95269	2.1
73.02917	1.6
73.06557	12.4
76.37275	1.5
79.05494	89.0
81.03407	6.6
81.07058	98.9
83.04987	29.5
83.08617	4.6
85.06523	1.5
87.04467	3.1
91.05477	39.7
93.03409	19.7
93.07043	66.8
95.04972	30.4
95.08611	15.6
97.02885	2.8
97.06535	22.2
97.10157	2.2
99.04458	6.3
105.04544	1.6
105.07024	14.9
107.04967	23.3
107.08595	100.0
108.08097	3.1
108.08859	1.6
109.06514	35.5
109.10162	14.4
110.03665	3.9
110.09654	1.5
111.04440	42.1
111.08084	27.4
111.96878	7.6
115.05459	15.8
117.07020	39.8
119.06099	2.1
121.02901	3.2
123.08047	5.0
124.05253	1.5
125.05996	22.4
125.09664	8.3
127.07556	2.2
129.97955	3.4
130.96301	2.5
135.04417	9.5
135.08057	35.2
135.11687	23.6
136.03938	2.0
136.07578	14.5
148.02115	1.5
153.01936	1.9
153.05466	14.8
153.09111	48.9
153.10345	2.6
153.12770	19.0
154.08636	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	153.091
Annotation	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
53.03941	0.8
55.01882	0.8
55.05512	2.5
56.96566	2.1
57.03432	0.9
57.07076	0.6
59.05011	0.9
65.03939	13.6
67.05499	3.6
69.03426	1.7
69.07069	2.5
70.94254	2.2
70.95845	0.8
71.04988	1.5
71.56239	0.7
71.95246	0.5
73.06530	0.6
79.05492	17.0
81.03414	0.7
81.07058	6.9
83.01360	0.7
83.04976	3.3
83.08598	1.3
85.02908	0.4
86.04640	0.3
88.95295	0.6
91.05478	15.7
92.06290	0.4
93.03406	12.9
93.07042	10.2
95.04964	4.9
95.08603	5.6
97.02884	0.7
97.06533	3.2
105.04547	0.4
105.07030	6.6
105.90102	0.4
106.04193	0.6
107.04966	1.8
107.08595	29.2
109.06511	5.8
109.10151	3.9
110.03641	1.8
111.04441	18.8
111.08086	2.7
111.96885	1.8
115.05453	1.3
117.07001	1.0
119.06051	2.4
121.02847	1.5
121.24988	0.3
124.05254	0.4
125.05995	12.7
125.09608	2.7
126.06392	0.4
129.97908	1.0
134.06023	0.8
135.08051	100.0
135.11668	6.1
136.08392	1.5
138.06732	2.4
153.05496	6.3
153.09103	36.5
153.12726	5.4
154.05011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	Vanillin
Peak:m/z	Relative Intensity
51.09982	0.7
55.05505	1.1
56.53030	0.7
56.96587	0.7
64.65474	0.6
65.03942	69.1
66.04266	0.8
70.99947	0.9
71.00284	1.4
75.12830	0.8
79.05498	0.8
83.04984	1.3
93.03410	100.0
93.07031	0.9
94.03736	1.0
95.08601	0.8
97.06509	1.3
105.09331	0.7
107.04961	1.1
107.08630	1.6
109.04123	1.1
109.10182	0.7
110.03660	12.5
110.97572	0.9
111.04445	83.1
118.04689	1.2
120.65360	0.7
125.05995	71.3
134.06018	2.9
153.05476	29.9
160.89426	0.7
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
53.03930	2.8
55.01863	2.9
55.05516	6.3
56.96571	8.5
57.03422	2.9
57.07056	1.5
58.24112	0.7
59.05001	0.9
61.02920	1.9
65.03935	2.7
67.05177	1.3
67.05510	20.0
68.95287	6.3
69.03431	6.0
69.07068	3.8
70.89619	0.6
71.04983	1.9
71.56509	0.8
73.02896	2.5
76.58461	0.6
77.03943	0.7
79.05489	12.9
79.11060	0.6
81.01052	1.4
81.03416	3.1
81.07062	34.9
83.00808	0.6
83.04967	3.2
85.02895	1.9
86.51830	0.9
87.01044	0.8
89.00765	2.7
89.46653	0.7
90.01542	1.4
91.05484	16.3
93.07051	17.0
95.00783	1.3
95.01356	0.7
95.04972	12.2
95.08052	1.2
95.08616	12.4
96.08108	1.0
97.02884	1.6
97.06560	0.8
97.99159	0.9
98.01304	1.0
98.47095	1.4
98.97598	5.8
101.00778	2.4
104.01284	1.3
105.03394	0.7
105.04528	0.8
105.07038	19.9
106.06561	0.9
106.97681	0.8
107.04935	1.6
107.08606	17.0
107.47629	3.7
108.05776	1.2
109.02914	0.9
109.06525	21.6
109.10151	13.7
110.01272	5.4
110.97556	1.3
113.67104	0.8
116.48172	3.8
116.98647	2.2
119.01806	6.8
119.04935	2.3
119.51973	0.7
121.06522	1.0
121.10146	1.9
123.04402	2.0
123.08073	10.5
123.11710	8.7
124.07602	7.3
128.02299	6.6
128.98608	1.4
130.52602	1.3
131.08592	1.2
133.06453	2.1
133.09230	1.3
133.10141	12.7
134.06006	1.2
136.08836	1.6
137.02792	2.3
137.21831	0.7
139.53113	2.6
140.38199	0.7
140.53954	0.8
146.99673	0.9
151.02876	1.4
151.03961	7.4
151.05003	1.4
151.07576	10.4
151.11188	100.0
152.07086	3.5
152.11555	1.6
158.99596	0.7
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
52.75537	1.3
53.03934	4.9
55.01852	1.8
55.05512	100.0
55.09953	1.3
56.39525	1.4
56.96557	4.9
57.03428	3.3
57.07055	6.4
59.04992	4.1
59.45996	1.3
61.02918	1.5
65.03927	3.7
67.05176	2.3
67.05509	37.1
68.95280	5.8
69.03421	7.4
69.07076	7.2
70.70203	4.6
71.08627	1.8
73.02896	1.5
78.18842	1.4
78.38283	1.4
79.05495	16.2
81.03399	3.5
81.06593	2.9
81.07059	53.5
83.04973	3.2
91.05476	23.5
91.44449	1.4
93.07054	22.5
95.04978	19.0
95.08611	46.4
96.08108	2.0
97.02880	1.5
97.06528	16.5
98.47124	1.7
98.97568	4.1
105.07030	31.6
107.04943	2.6
107.08602	24.7
107.47620	2.7
109.06516	35.3
109.10155	47.4
110.01279	3.8
110.97588	1.9
111.32447	1.5
116.48165	3.5
119.01775	6.5
119.04937	3.7
123.04440	4.3
123.08095	18.9
123.11700	20.1
128.02304	5.3
128.98515	1.7
131.08546	1.5
132.71181	1.4
133.06520	10.2
133.10129	11.2
134.05975	1.6
151.03891	9.7
151.05037	3.2
151.06326	1.5
151.07542	38.0
151.11194	40.3
151.14806	5.4
166.23064	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03940	3.6
55.01858	3.9
55.05512	15.1
56.96561	1.0
57.03437	7.1
57.07067	1.5
57.81356	1.0
65.03929	2.9
67.05508	59.1
68.05026	4.7
69.03434	11.7
69.04543	1.8
69.05794	0.9
69.07072	6.3
69.61353	5.9
71.04983	3.7
73.45942	0.9
77.03899	0.9
79.05498	38.5
81.03412	3.0
81.07060	62.6
83.04990	26.6
83.06087	1.4
83.08640	1.3
84.05641	1.1
85.06564	1.5
89.06013	1.3
91.05486	48.6
93.04553	1.2
93.07049	46.3
95.04979	15.3
95.08610	19.4
96.05634	2.2
96.38639	1.1
97.06524	3.4
98.97611	1.8
101.88679	1.0
105.07037	67.9
107.08601	74.4
109.06535	18.4
109.07639	1.5
109.10158	34.2
110.07183	13.7
111.07957	53.1
117.07079	1.2
123.04446	2.3
123.08093	8.4
123.11721	10.4
124.08720	3.2
127.07647	1.0
128.02278	1.5
131.08588	2.6
133.06490	1.0
133.10136	63.8
134.07106	2.0
134.10583	0.9
144.45392	1.0
149.46417	0.9
151.02893	2.1
151.03917	4.5
151.06345	1.4
151.07668	7.0
151.09805	21.4
151.11172	100.0
152.07040	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03946	2.0
55.01860	4.6
55.05511	12.3
56.96544	1.5
57.03435	9.9
57.07058	1.4
62.41272	1.2
65.03920	3.1
67.05505	60.6
68.05023	2.4
68.95279	1.4
69.03426	12.0
69.07055	5.0
70.90939	2.1
70.91251	1.6
71.04978	2.7
71.59093	1.3
75.30060	1.0
79.05495	34.9
81.03424	2.2
81.07055	61.1
83.04984	24.2
85.06533	1.6
89.06002	1.8
91.05482	54.0
93.07041	49.8
95.04961	17.2
95.08598	13.3
96.01548	1.8
97.06498	2.5
98.01294	1.8
98.97567	2.6
101.00748	1.9
105.07030	68.3
107.08595	71.8
109.06511	19.9
109.10163	31.2
110.01251	1.7
110.07143	3.7
111.07949	18.3
119.01785	4.8
121.06473	1.2
123.04422	1.5
123.08072	10.5
123.11705	9.7
124.08756	1.2
128.02304	3.2
131.08554	2.4
133.10130	67.3
151.02840	3.1
151.03932	4.0
151.07570	7.4
151.09818	5.7
151.11174	100.0
161.29059	1.2
168.71509	1.2
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
51.02390	0.6
53.03936	2.8
53.65448	0.6
55.01871	4.1
55.05268	0.8
55.05513	14.8
56.96555	1.1
57.03439	12.1
57.07058	1.3
64.63445	0.6
65.03938	3.1
67.05506	60.1
68.05018	1.4
69.03078	0.9
69.03430	11.3
69.07069	5.2
69.94802	0.6
71.05002	4.6
71.57072	1.1
71.57457	0.6
73.02883	0.6
74.27752	0.6
79.05493	40.4
81.03414	1.3
81.07059	63.0
82.07384	0.6
83.04984	30.2
85.06555	1.4
86.37688	0.6
91.05484	48.7
93.07047	47.5
95.04971	16.1
95.08605	12.8
97.06484	3.1
97.16140	0.7
98.97582	0.8
103.05405	0.7
105.07033	71.9
106.07334	1.2
107.04986	0.8
107.08595	79.2
108.08913	1.1
109.06519	19.1
109.10159	32.9
110.07176	2.4
110.10498	0.7
111.07952	10.3
119.06068	1.3
123.08073	5.5
123.11726	12.1
124.08690	1.1
128.02269	1.1
131.08542	3.3
133.10132	71.0
134.10478	1.1
136.73676	0.6
151.02797	1.1
151.03908	1.4
151.07735	3.2
151.09833	5.9
151.11179	100.0
152.11557	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03941	2.2
55.01860	3.5
55.05515	13.1
56.96550	1.7
57.03443	9.3
57.07064	2.0
64.44642	1.1
65.03919	3.1
67.05508	49.8
68.75165	1.1
69.03434	8.8
69.07046	4.1
70.81725	1.3
70.82063	1.7
71.04986	3.9
79.05495	37.8
81.03408	1.9
81.07058	55.1
82.06582	1.2
83.04987	24.6
85.06534	1.5
91.04903	2.0
91.05482	43.8
93.07046	45.2
93.07635	2.4
95.04977	13.2
95.08606	11.7
96.05693	1.1
97.06508	3.5
98.97565	1.0
105.07035	62.4
107.08595	70.7
109.06522	18.3
109.07642	1.4
109.10159	32.6
110.07179	3.5
111.07948	10.5
117.19158	1.0
119.01833	1.2
119.06018	1.3
123.04470	1.1
123.08104	5.2
123.11724	10.8
124.08800	1.1
131.08565	4.6
133.10141	64.3
134.10486	1.3
151.02882	3.9
151.07513	4.3
151.09827	6.0
151.11182	100.0
162.93265	1.0
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
53.03937	1.4
54.20138	0.5
55.01860	2.1
55.05507	7.4
56.96571	3.7
57.03441	4.2
57.07072	2.9
59.78843	0.5
65.03929	1.5
66.66389	0.4
67.05504	29.2
68.95282	1.1
69.03432	5.5
69.07058	2.9
69.10136	0.5
71.04983	1.9
71.56830	0.6
71.57240	0.8
73.02926	1.2
79.05494	18.6
81.01020	0.7
81.03426	6.9
81.07056	29.6
83.04979	10.2
85.02901	1.0
85.06527	1.1
87.01051	0.7
89.00774	0.8
89.06036	0.6
91.05479	25.4
92.01271	0.7
93.07040	21.2
94.04169	3.6
95.00764	0.8
95.04964	15.5
95.08611	9.3
97.02886	0.7
97.06525	1.3
98.01276	0.7
98.97589	3.6
100.51517	0.6
101.00745	1.3
105.07030	29.8
107.01848	0.7
107.04994	0.7
107.08592	32.7
107.47600	0.7
108.05735	0.6
109.06519	10.4
109.10150	16.4
110.01275	1.7
110.06007	0.5
111.07976	1.9
116.98597	1.0
119.01800	3.3
121.52083	1.0
123.04397	0.9
123.08064	4.6
123.11712	6.0
128.02321	3.4
128.98631	0.7
129.03087	0.9
130.52573	1.6
131.08534	1.6
133.10130	30.2
134.71857	0.5
137.02837	0.6
139.53119	0.6
140.00157	0.7
147.88585	0.5
151.02858	0.6
151.03979	2.7
151.07663	4.3
151.11180	100.0
152.11574	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03946	6.1
53.52536	1.3
55.01865	3.3
55.05515	100.0
55.45605	1.0
56.96570	9.1
57.03420	4.4
57.07066	4.7
59.04992	4.8
61.02914	2.0
65.03925	3.7
67.05506	35.9
67.51112	1.1
68.45340	2.0
68.95277	6.0
69.03428	7.8
69.07060	5.2
70.05606	5.8
71.04973	1.5
72.52315	1.4
73.02905	1.8
79.05493	19.4
80.06255	1.1
81.03414	3.1
81.07060	73.0
82.07403	1.2
83.04961	1.8
85.02892	1.7
89.00764	1.6
89.06035	1.2
91.05484	28.4
93.07044	23.7
95.04972	21.5
95.08605	20.9
97.02879	1.4
97.06540	14.6
98.01296	1.4
98.86375	1.1
98.97588	5.9
101.00766	1.5
103.05439	1.6
105.07033	31.3
105.42519	1.1
106.36054	1.1
107.04939	4.4
107.08596	27.2
107.47631	4.7
108.02122	1.7
108.03391	1.2
109.02887	1.8
109.06522	29.5
109.10158	46.8
110.01303	4.3
110.07315	1.3
116.48172	4.3
116.98605	2.8
119.01818	8.0
119.04951	7.6
119.05926	1.0
121.06498	1.9
121.10157	5.0
123.04424	4.5
123.08073	15.6
123.11713	28.6
128.02339	5.8
128.98595	2.0
133.06482	4.2
133.10129	19.6
136.05157	2.3
136.08867	2.3
139.53139	1.3
146.99686	1.5
150.05481	1.8
151.03951	19.3
151.05038	2.0
151.06293	3.1
151.07550	24.9
151.11188	98.6
152.07074	2.9
153.54849	1.3
158.99576	1.2
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	Car-3-en-5-one
Peak:m/z	Relative Intensity
50.73093	0.6
53.03946	4.0
55.01876	1.0
55.05513	100.0
56.05840	1.0
56.96572	1.5
57.03435	1.4
57.07078	1.6
59.05004	5.1
63.15626	0.6
65.03979	1.2
67.05509	17.8
68.95315	1.1
69.03439	2.4
69.07079	3.3
69.21494	0.5
71.05002	0.7
79.05494	8.7
81.03439	0.8
81.07059	35.5
83.04973	0.6
91.05486	8.7
93.07049	12.3
95.04974	11.2
95.08620	8.8
97.06531	16.3
98.97581	1.4
105.07034	11.6
107.07884	0.8
107.08601	16.2
109.06522	11.3
109.10161	30.1
110.01351	0.8
110.07325	2.4
116.48173	0.6
119.01815	0.7
119.04969	2.1
121.10137	2.0
123.04446	1.0
123.08078	4.6
123.11721	13.9
124.07500	0.6
128.02316	0.8
132.40347	0.5
133.06497	1.5
133.10135	7.4
136.08830	0.8
151.03929	2.0
151.05011	0.6
151.07578	5.0
151.11194	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	151.1119
Annotation	3-tert-Butylphenol
Peak:m/z	Relative Intensity
52.81392	0.3
53.03929	1.0
54.38278	0.3
55.01857	1.3
55.05515	1.9
56.15317	0.4
56.96564	2.6
57.03427	1.4
57.07079	2.6
59.83945	0.4
61.02913	0.5
64.25588	0.4
65.03934	1.3
66.04736	0.6
67.05506	13.9
68.95293	1.8
69.03413	1.6
69.07057	1.3
69.76903	2.2
71.04991	0.5
73.02903	0.7
79.05495	6.9
81.01067	0.4
81.03422	9.6
81.06583	0.7
81.07057	13.2
83.04984	2.9
85.06544	0.5
89.00764	0.6
89.46611	0.5
91.05483	11.5
93.07046	7.7
94.04189	5.2
95.04971	13.6
95.08078	0.4
95.08620	5.2
96.01572	0.4
97.99223	0.4
98.01299	0.5
98.47091	0.4
98.97613	1.8
101.00764	0.8
105.07033	12.8
107.04992	0.4
107.08599	14.1
107.47614	0.7
108.05719	0.5
109.06526	3.3
109.10162	5.9
110.01321	2.2
110.97579	0.5
116.48186	0.5
116.98615	0.6
119.01771	3.0
121.52100	0.5
123.03564	0.5
123.04408	1.1
123.08055	2.0
123.11723	4.2
128.02312	2.1
128.98642	0.3
130.52606	0.9
131.08582	0.4
133.10132	13.2
139.53084	0.6
151.02885	0.5
151.03912	2.1
151.05017	0.8
151.07726	2.9
151.11185	100.0
152.07095	0.5
152.11540	1.4
162.67244	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03937	2.9
55.01870	7.1
55.05506	10.0
56.96563	2.6
57.03438	5.7
57.07052	1.4
65.03944	2.9
67.05505	59.2
69.03424	10.3
69.07055	3.9
71.04987	1.5
71.56213	1.5
71.56669	1.4
79.05492	41.0
81.03408	2.2
81.07056	59.8
83.04981	20.8
85.06531	1.7
91.05482	56.2
93.07041	41.8
95.04977	13.8
95.08599	17.9
97.06521	2.7
98.97541	1.5
103.05505	1.7
105.07029	81.2
107.08595	100.0
109.06509	19.5
109.10159	38.1
119.01786	2.1
119.06029	1.9
123.08059	6.0
123.11706	11.2
128.02301	1.8
131.08568	4.6
133.10129	88.5
137.02727	1.1
142.91356	1.3
151.03894	2.2
151.07544	3.7
151.11179	87.4
164.66454	1.2
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	Methyl phenylacetate
Peak:m/z	Relative Intensity
55.01869	1.3
56.96292	1.3
56.96569	22.8
57.03434	5.1
61.02930	4.5
65.03944	4.3
67.05499	1.0
69.03426	2.0
70.33865	2.3
73.02922	9.9
74.00267	1.4
74.97611	1.0
79.05490	1.6
80.06285	1.3
81.01034	2.2
81.03428	3.3
81.07063	0.8
83.00816	1.3
84.96037	1.5
85.02894	5.4
86.03693	2.0
87.01009	1.3
87.72006	0.6
88.00019	1.2
88.27143	0.7
89.00768	4.0
90.01543	3.7
91.05483	100.0
92.01317	1.1
93.07022	1.4
95.00812	1.5
95.04983	10.8
95.08599	0.9
96.01547	4.1
97.02896	2.2
97.96806	1.9
97.99171	2.1
98.01293	3.1
98.21339	0.8
98.97587	28.2
101.00778	6.1
101.34262	0.9
103.05479	0.8
104.01287	1.8
105.02099	1.4
105.07029	1.4
107.01831	1.9
108.05786	1.2
109.02895	1.7
110.01283	16.3
110.51481	0.8
110.97568	5.4
112.07555	1.4
116.98640	5.4
118.54195	0.8
119.01806	24.2
119.04945	61.0
119.52013	1.0
121.52082	1.4
123.08089	1.8
127.03966	1.0
128.02325	25.2
128.52545	1.4
128.98607	4.7
130.52586	1.4
133.05011	1.4
136.05202	10.9
137.02831	10.2
137.05968	3.3
139.53116	4.0
140.00208	1.8
140.98613	1.1
143.00189	1.1
146.99657	1.5
148.53653	1.2
151.07538	59.4
152.05786	1.2
152.06981	6.4
158.99683	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03937	5.7
55.01869	3.7
55.05506	10.0
60.97338	1.9
65.03940	20.9
67.05511	39.7
69.07074	16.6
71.17000	4.4
79.05496	66.6
80.08236	1.8
81.03403	4.2
81.07058	100.0
82.07366	2.6
83.08601	5.7
91.05485	30.4
93.03399	3.8
93.07048	95.8
95.04965	6.6
95.08607	15.6
105.04530	2.2
105.06997	9.5
107.04964	46.8
107.07867	3.9
107.08601	79.2
111.04439	2.6
119.04907	2.6
119.08541	3.7
120.05729	6.4
121.02873	25.7
121.03983	7.0
121.06490	3.6
121.10158	31.1
127.70529	1.7
149.02347	68.4
149.08437	2.7
149.09633	49.0
149.13271	85.4
150.13588	3.0
168.30356	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
53.03943	4.8
55.05515	12.9
56.96557	2.6
57.07086	2.3
57.26799	2.1
65.03944	29.1
67.05503	6.1
69.07066	15.9
70.81937	4.7
79.05500	37.8
81.07062	31.1
89.23202	1.9
90.33771	1.8
91.05065	1.8
91.05498	24.3
93.03388	5.2
93.07047	94.4
95.05007	4.4
95.08597	5.0
102.30788	2.0
103.05522	2.3
104.03127	2.7
105.07047	12.0
105.07683	1.7
107.04939	3.3
107.08598	68.1
107.09301	4.7
111.04423	3.6
119.06097	2.1
121.02876	40.5
121.03968	11.1
121.10143	26.7
134.03625	2.1
149.02354	100.0
149.05998	4.0
149.09645	11.1
149.13268	39.0
154.96001	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03944	5.8
55.05495	11.5
65.03937	26.0
67.05502	39.3
69.07082	18.4
69.73671	13.7
79.05494	52.6
81.06583	4.9
81.07059	100.0
83.08618	7.4
85.65073	3.0
91.05494	21.6
93.03416	3.0
93.06480	5.5
93.07046	86.2
95.08624	19.8
102.30630	3.3
105.03411	4.8
105.04530	3.6
105.07046	4.7
107.04945	3.1
107.08604	84.0
121.02859	30.8
121.03972	10.2
121.10148	25.6
149.02347	71.0
149.05977	6.5
149.09589	6.4
149.13269	83.8
150.13586	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	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
55.05512	11.0
65.03946	22.9
67.05509	37.6
69.07060	18.5
69.39656	14.1
70.09344	2.1
79.05495	52.8
81.07062	97.7
83.08604	6.1
85.77795	2.1
91.05481	18.0
93.03419	4.8
93.07051	100.0
93.46864	1.9
95.04963	3.9
95.08604	16.0
105.07016	7.6
107.04955	6.5
107.08604	70.9
112.28102	2.1
121.02875	38.6
121.03973	9.3
121.06543	2.4
121.10155	24.2
131.08530	2.6
149.01157	4.1
149.02353	86.3
149.05865	3.2
149.09677	11.4
149.13268	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	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03938	3.0
54.80176	1.3
55.01860	1.6
55.05503	3.4
56.55742	1.3
56.96560	1.9
59.14301	1.3
65.03951	24.3
67.05507	14.5
67.91273	1.4
69.07074	7.1
71.00838	3.6
71.53073	1.7
79.05497	26.2
81.07062	41.6
83.08601	4.2
91.05487	10.0
93.03402	7.0
93.07046	43.0
95.04956	2.1
95.08617	8.4
98.03646	1.4
105.07054	2.7
107.04966	11.1
107.08599	37.8
111.04449	5.4
112.51369	1.4
121.02872	38.0
121.03973	10.6
121.06499	2.6
121.10165	12.4
131.04898	1.7
149.02353	100.0
149.09654	11.1
149.13264	39.2
150.02658	1.7
153.43633	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03961	3.9
55.05497	9.8
65.03934	15.5
67.05505	39.1
69.07066	17.4
70.31621	7.5
79.05491	54.7
81.07056	100.0
83.08628	5.3
91.05482	22.2
93.03384	3.5
93.07040	90.9
95.04932	5.9
95.08616	10.9
98.21515	2.7
103.05435	2.5
105.04549	2.4
105.07018	7.1
107.04939	9.8
107.08595	79.9
116.07291	2.0
121.02850	17.9
121.03988	4.8
121.06495	2.9
121.10155	28.3
125.82568	2.1
126.06063	2.5
127.24797	2.2
131.17247	2.0
149.02348	54.3
149.06038	3.2
149.09641	20.2
149.13255	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	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03938	4.4
55.01859	2.0
55.05509	4.9
56.96561	1.5
57.07066	3.1
59.97561	1.3
65.03941	29.4
67.05498	2.6
69.07060	5.9
71.56460	2.2
74.53753	1.5
75.02684	1.3
79.05090	1.8
79.05495	11.8
80.02629	1.7
81.07054	4.3
82.78348	1.3
84.13900	1.3
91.05472	17.4
93.03389	5.9
93.07049	27.2
95.04958	1.5
103.05461	5.0
105.07029	26.0
107.04930	2.3
107.07867	2.8
107.08597	39.3
109.06517	1.5
111.04468	2.2
119.06089	1.6
119.08588	9.1
121.02864	37.3
121.03967	9.5
121.06511	5.3
121.10146	96.7
123.08051	4.6
131.04964	3.0
131.08549	3.1
133.07619	2.4
133.10144	8.1
134.03653	1.4
134.10913	6.4
149.02347	100.0
149.05937	8.6
149.07028	1.8
149.09647	10.6
149.13261	29.2
150.02660	1.9
150.05453	2.1
151.02434	6.2
167.05577	2.7
169.03477	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	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03945	3.0
55.01866	3.0
55.05504	4.1
55.14443	1.5
55.52709	1.4
65.03945	25.6
67.05510	13.8
69.07062	7.5
69.66491	5.8
69.66911	4.1
71.01420	1.8
72.68758	1.5
79.05499	31.4
81.07056	25.8
83.08627	2.3
91.05458	8.6
93.03400	6.6
93.07043	47.1
95.04893	1.6
95.08596	5.8
103.05486	1.9
105.07008	6.2
107.08600	39.9
108.04513	2.0
111.04438	3.9
121.02869	37.6
121.03978	10.2
121.10146	14.4
142.81554	1.4
149.02350	100.0
149.08246	4.5
149.09625	11.4
149.13281	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	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
52.84561	1.2
53.03952	3.1
55.01864	2.9
55.05500	5.6
62.68774	1.4
65.03938	27.7
67.05501	9.9
69.07069	7.8
71.56155	2.2
75.01810	1.1
79.05493	35.3
81.03411	1.6
81.07051	29.5
82.89704	1.3
83.08607	1.7
91.05486	13.0
92.17977	1.3
93.03395	5.9
93.07042	46.8
95.04970	2.8
95.08588	5.7
98.03690	1.5
100.86715	1.5
103.05506	2.9
105.03450	1.8
105.07050	7.6
107.04949	5.0
107.08598	41.5
111.04432	3.2
112.69627	1.3
121.02861	40.6
121.03965	13.4
121.06489	3.6
121.10144	13.3
126.59314	1.4
131.08574	1.8
131.47533	1.3
149.02339	100.0
149.05965	4.9
149.07076	2.3
149.08472	1.6
149.09653	9.3
149.13261	34.3
149.14391	2.7
150.02679	1.9
150.09111	1.7
165.05499	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03954	5.8
55.05500	7.3
55.05745	4.0
62.25348	3.5
65.03946	24.9
67.05498	40.1
68.42828	3.0
69.07063	16.9
70.73460	8.8
79.05499	52.0
80.81704	3.5
81.07058	92.8
83.08613	8.1
91.05485	22.0
93.03386	8.0
93.07045	92.9
95.08600	16.4
103.05468	5.4
104.91792	3.4
105.07039	6.7
107.08601	78.2
111.04428	5.4
121.02871	39.7
121.03992	10.1
121.10153	27.3
124.50587	3.4
126.59441	3.7
149.02354	100.0
149.03511	8.2
149.08356	3.6
149.09604	10.6
149.13272	87.5
151.46802	3.7
158.76628	3.6
161.93684	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	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
55.05510	8.2
59.93335	3.1
62.79003	3.7
65.03934	27.4
65.44057	3.1
67.05506	34.4
69.07059	13.9
69.30945	23.2
79.05498	54.8
80.19398	4.0
81.07057	85.3
83.08610	6.4
84.89457	3.2
91.05482	22.1
93.03402	7.4
93.07049	84.9
95.08616	18.2
105.03357	4.4
105.07038	7.8
107.08594	76.7
108.04497	4.0
121.02849	38.4
121.03957	12.8
121.10148	27.6
138.29973	3.6
149.02365	100.0
149.08249	6.9
149.09596	9.2
149.13264	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	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90173	2.3
53.03951	5.7
55.05516	12.0
59.02272	3.3
65.03938	18.0
67.05508	38.2
69.04913	2.7
69.07069	25.0
69.31326	29.2
72.30304	2.4
79.05500	51.9
81.07059	89.0
83.03453	2.7
83.08627	3.0
91.05491	21.3
93.07047	100.0
93.19748	2.7
95.08620	17.2
98.21514	5.8
98.26269	2.9
105.07028	6.3
107.04972	13.8
107.08598	78.5
112.91888	2.8
121.02879	21.4
121.03933	5.3
121.10141	25.7
133.16367	2.7
149.02351	56.5
149.08322	3.0
149.09653	15.2
149.12048	4.4
149.13261	80.8
149.14381	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	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03930	2.1
55.01869	2.0
55.05507	1.4
56.96542	1.2
63.02386	0.6
65.03944	10.4
66.61292	0.6
67.05492	2.1
69.03421	1.9
69.07066	1.3
70.90134	1.8
74.70731	0.7
79.05486	13.5
79.22014	0.6
81.07063	2.1
91.05479	15.0
93.03403	2.8
93.07043	32.8
95.04961	2.5
103.05479	4.8
105.04532	1.1
105.07032	20.9
106.07822	1.9
107.04980	0.8
107.08593	7.9
109.06562	0.9
111.04459	1.7
116.06197	2.1
119.08582	3.4
121.02865	16.7
121.03980	3.6
121.06503	6.5
121.10140	21.8
123.08037	2.1
129.07011	1.3
131.04918	1.2
131.08574	4.0
133.07611	1.9
133.10019	0.8
149.02350	39.9
149.06004	4.2
149.09619	100.0
149.13208	3.5
150.02702	1.1
150.05450	0.8
150.09993	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
50.51285	2.7
53.03938	6.1
55.05506	9.7
58.84174	3.1
63.71747	2.8
65.03939	21.1
67.05512	38.8
69.07071	18.7
71.29971	4.3
71.30315	4.3
75.38599	2.9
79.05500	56.4
81.07063	96.3
82.47627	3.0
83.08642	5.3
91.05493	22.0
93.03428	3.4
93.07050	98.4
95.08614	16.9
96.00939	3.0
105.07020	7.5
107.04974	22.1
107.08602	80.0
107.10158	2.9
121.02870	24.5
121.06480	4.6
121.10138	29.6
149.02348	57.8
149.09636	23.8
149.13261	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03934	3.9
55.01859	5.2
55.05502	2.2
56.96563	8.1
56.99403	1.4
65.03942	17.1
67.05510	1.5
67.62915	1.3
68.05138	1.3
69.07047	1.4
70.83855	1.7
70.84168	2.2
79.05496	12.0
81.07046	2.1
91.05479	34.3
93.03403	6.0
93.07046	34.4
95.04967	3.5
103.05463	8.0
105.04569	1.4
105.07040	15.7
106.07819	1.7
107.04980	2.4
107.08593	6.1
109.06479	2.5
111.04444	2.3
115.05471	1.4
116.06229	7.0
119.08563	2.9
121.02863	30.4
121.03976	9.6
121.06516	9.9
121.10137	19.2
123.08015	2.1
128.92262	1.3
129.06987	3.7
131.04951	9.1
131.08565	23.7
133.07607	2.2
135.00523	1.4
148.22588	1.4
149.02348	77.0
149.06017	8.7
149.09618	100.0
149.13335	2.2
150.09995	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	5,6,7,8-Tetrahydro-2-naphthol
Peak:m/z	Relative Intensity
53.03944	3.9
55.01870	3.2
55.05496	2.9
65.03945	18.1
67.05516	4.4
69.03430	0.9
69.07068	1.9
69.47328	3.4
69.47757	2.5
70.96757	0.7
77.03920	1.1
79.05500	19.8
81.03414	8.0
81.07065	10.1
91.05494	18.7
92.06274	2.1
93.03420	5.2
93.07050	19.3
94.04176	1.1
95.04986	4.3
95.08620	1.5
98.03671	0.9
103.05474	2.9
103.21126	0.8
105.04530	1.3
105.07035	4.4
107.04964	100.0
107.08604	10.3
108.04539	1.2
108.05316	1.4
111.04456	3.4
116.06264	1.2
119.04951	4.4
119.08501	0.9
120.05738	15.2
121.02876	30.1
121.03975	8.5
121.06505	5.2
121.10133	5.7
129.07050	1.0
131.04951	1.2
131.08578	3.8
149.02359	73.2
149.05994	3.3
149.09627	55.3
149.13271	8.0
150.05547	0.9
150.09081	1.5
167.03543	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03937	2.7
54.78200	1.3
55.01878	9.0
56.96548	3.0
65.03609	1.8
65.03943	25.2
65.86538	1.4
67.05505	6.0
69.03440	1.8
71.04955	1.5
71.22598	3.5
78.36589	1.1
79.05061	2.2
79.05495	27.1
81.07059	1.9
91.05480	24.2
93.03413	7.4
93.07044	31.1
95.04979	2.5
98.03606	1.6
103.05470	4.5
105.07039	28.3
107.04964	12.4
107.08595	32.8
111.04462	5.4
116.06209	2.4
119.08589	2.8
121.02872	42.9
121.03970	10.2
121.06503	8.7
121.10141	8.8
129.07008	1.8
131.04938	3.7
131.08580	19.8
149.02351	100.0
149.03333	3.6
149.05997	9.1
149.08392	2.7
149.09625	54.9
149.13313	1.6
150.02710	2.4
150.05453	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
50.27427	0.8
53.03946	5.0
55.01864	3.9
55.05500	4.0
56.96297	1.3
56.96569	20.9
58.06580	1.5
61.02935	1.0
65.03611	1.4
65.03943	26.5
67.05504	4.7
71.39481	2.0
77.25594	1.1
79.05494	43.1
81.03395	1.2
81.07061	2.1
83.04983	3.1
83.08617	2.1
85.02898	1.7
91.05476	15.6
93.03418	6.8
93.07046	41.3
94.06572	2.4
95.04971	6.5
98.03671	1.9
98.97586	1.0
100.99146	2.8
102.03373	6.3
103.05474	98.3
104.05817	1.2
105.04479	2.4
105.07008	3.8
107.04960	25.4
107.08581	1.6
111.03770	6.4
111.04524	9.8
115.04117	2.9
119.00178	5.0
120.04415	1.6
121.02872	40.3
121.03973	9.5
121.06509	30.5
121.10144	1.9
122.06024	2.9
122.99011	0.9
123.07944	3.5
124.04678	6.5
124.06113	1.0
131.04933	10.7
133.05141	1.1
136.01967	1.1
137.01244	1.2
141.96980	2.3
145.06651	1.0
149.02350	100.0
149.05977	17.1
149.07083	2.2
149.08162	1.9
149.09624	2.6
149.11578	9.7
150.05539	2.8
150.07768	15.2
150.09129	3.1
163.02841	2.3
167.03537	1.2
169.03546	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03935	3.6
53.82906	1.7
55.05511	11.3
64.92797	4.0
65.03928	4.5
67.05501	2.6
69.03419	5.9
69.07066	4.6
69.24439	1.6
71.56098	2.2
71.56505	2.0
75.42885	1.6
79.05476	5.6
83.04954	2.2
84.04495	1.9
85.02899	5.0
91.05483	56.9
93.07065	1.7
101.07958	3.4
103.03943	2.0
103.05447	4.8
105.07037	76.2
107.08609	9.1
117.06996	12.1
119.04944	13.3
119.08588	100.0
119.36288	1.5
123.96467	6.6
129.06987	1.5
131.08585	2.6
132.09360	4.4
134.06577	1.6
145.10133	11.3
147.04422	48.7
147.06287	8.8
147.08064	5.9
147.11690	91.8
148.12027	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
54.28025	1.1
55.05521	9.7
56.88174	1.2
56.96569	1.2
61.02925	1.2
64.92815	2.8
65.03945	3.3
67.05490	2.5
69.03437	6.3
69.07064	3.2
71.05000	1.5
71.10114	2.7
74.91650	1.1
79.05489	6.0
83.59007	1.2
84.04491	1.9
85.02903	2.1
91.05489	55.9
93.07042	3.2
101.07948	2.7
103.03952	1.2
103.05484	5.5
104.06230	1.4
105.07038	81.0
107.08606	7.2
111.04469	1.2
115.05402	1.7
117.07005	11.3
119.04939	11.1
119.08589	100.0
120.08900	1.6
123.96449	5.4
129.06999	2.4
131.08569	2.6
132.08481	1.4
132.09320	6.6
139.43779	1.1
145.10115	10.2
147.04428	38.7
147.05452	1.7
147.06461	2.8
147.08064	8.0
147.11697	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03925	2.3
55.05515	10.3
65.03913	1.8
67.05504	3.6
69.03426	2.2
69.07066	5.9
69.76241	6.7
71.32228	1.2
79.05498	5.9
81.07046	2.3
84.04518	1.9
85.02910	1.7
86.72740	1.2
91.05483	40.2
93.07043	3.2
103.05460	3.9
105.07034	94.4
107.08607	4.1
115.05474	1.9
116.06192	2.3
117.07020	10.5
119.04932	5.4
119.08585	100.0
120.08923	1.2
129.06892	1.6
130.04961	1.4
131.08595	1.7
132.09367	5.9
137.25064	1.1
145.10126	12.4
147.04468	8.9
147.08073	5.3
147.11693	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Viridiene
Peak:m/z	Relative Intensity
51.87173	1.4
53.03952	1.7
55.05501	5.9
58.03989	1.4
64.92808	1.9
67.05181	1.6
67.05506	19.6
69.03413	5.8
69.07076	7.1
69.55257	1.4
70.57305	1.5
70.95007	1.8
70.95325	2.3
79.05499	22.2
81.07068	18.5
83.06907	1.7
85.02901	2.1
85.09103	1.4
91.05486	87.9
93.07053	13.4
95.04986	1.7
96.45614	1.2
100.03648	1.4
100.07642	1.7
101.07961	5.8
103.03917	2.3
103.05460	1.6
105.07035	100.0
107.04990	1.6
117.07020	4.9
119.04955	2.1
119.08585	69.6
123.96456	5.1
129.07013	4.2
129.22035	1.3
132.09288	2.3
145.10147	2.1
147.04424	3.8
147.06525	2.2
147.08080	11.6
147.11696	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0601
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
50.53478	0.3
56.96564	0.3
64.92773	0.3
65.03931	0.4
66.72628	0.3
69.85402	1.8
71.04973	0.6
72.08157	0.9
74.72008	0.3
82.06577	6.9
91.05481	16.5
98.20703	0.3
100.04789	1.3
100.07614	18.6
105.07009	1.0
117.05771	3.9
118.06541	100.0
119.04947	0.6
119.06882	1.3
119.08567	1.2
128.04228	0.4
128.07068	1.1
146.06018	18.8
146.08083	7.7
146.10532	0.6
147.04408	0.4
147.08102	0.5
147.11694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03939	4.1
53.66739	1.2
55.05519	7.2
57.03437	3.7
59.91354	1.3
61.02922	1.7
64.92799	4.7
65.03925	2.2
67.05504	21.9
69.03079	1.9
69.03429	23.7
69.07067	7.2
71.04994	3.2
73.02937	1.6
77.03977	1.3
77.26929	1.4
79.05494	24.8
81.07051	20.2
83.04967	5.1
83.06918	3.5
85.02900	9.5
91.05480	98.9
93.07052	13.3
95.04996	2.2
100.07625	3.9
101.07934	9.8
103.03954	7.2
103.05477	3.1
105.01363	1.3
105.07028	100.0
111.04472	2.4
117.07001	8.0
118.07814	1.9
119.04939	11.8
119.08581	67.7
120.08836	1.6
123.96446	12.7
129.06996	6.2
145.10139	3.1
147.04456	11.7
147.05507	2.4
147.06537	6.2
147.08092	14.6
147.11688	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
68.50619	4.7
70.52285	16.3
72.04672	4.8
82.99831	6.4
100.97143	5.9
101.00889	43.6
119.01926	100.0
136.07390	4.6
137.02933	14.7
140.10126	4.9
142.03477	38.2
160.04546	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	144.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	14.6
60.95140	20.9
60.95848	16.1
61.95209	49.2
62.94880	9.3
69.03439	4.0
70.25188	12.9
71.04464	3.1
73.02901	5.0
80.19564	3.7
81.03435	5.2
82.01454	3.5
84.99599	6.6
86.03687	6.6
88.72073	3.4
94.78487	3.6
100.02472	6.5
101.00870	8.3
102.00961	13.2
102.02277	6.3
102.96877	100.0
102.97855	19.6
103.00640	44.8
103.09021	4.0
103.97481	7.2
114.03267	5.2
119.01933	15.2
119.98811	14.7
120.02024	39.1
120.97902	31.5
120.98886	64.4
121.01673	70.1
121.02450	7.0
121.98516	10.9
123.03807	8.3
126.02202	7.3
132.54161	6.0
137.99832	7.5
138.03076	5.7
138.98918	11.9
138.99940	35.0
139.02658	8.0
139.99609	4.6
141.04779	4.3
142.02713	7.0
144.03250	39.9
162.04311	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	141.0547
Annotation	(-)-Sarcomycin
Peak:m/z	Relative Intensity
53.03942	1.9
55.01874	41.6
55.05509	2.8
56.96565	3.5
57.03433	1.2
58.18597	1.2
58.59909	1.1
63.96281	1.0
65.03925	6.3
67.05508	68.2
70.87010	3.2
71.04998	2.4
73.41100	1.3
79.05503	3.6
81.07042	6.8
88.20163	1.1
93.07045	1.2
93.20702	1.2
95.04972	100.0
95.08603	4.9
95.62976	1.2
95.82056	1.1
96.05339	1.8
98.87401	1.1
98.97581	3.5
99.97932	3.4
113.02420	3.0
116.98626	2.3
117.99030	1.3
123.04436	45.5
123.08067	3.2
125.49815	1.3
141.01830	2.8
141.05475	13.6
148.27739	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0819
Annotation	4-Amino-5-hydroxymethyl-2-methylpyrimidine
Peak:m/z	Relative Intensity
53.96645	1.6
56.05032	3.0
57.04346	1.3
57.04564	16.3
58.02962	51.0
59.06124	2.0
71.06106	7.1
71.28732	3.4
72.08228	2.1
73.18432	1.6
78.19578	1.4
81.02168	2.5
81.04523	4.2
95.06086	4.5
98.07182	100.0
98.09676	2.1
99.05591	26.3
99.09238	1.9
109.72516	1.6
112.08688	2.6
122.07153	56.1
125.02432	2.1
140.05820	4.4
140.07085	3.1
140.08180	37.4
140.11845	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	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00169	0.4
51.73691	0.4
53.66807	0.5
55.94172	0.5
56.96297	0.9
56.96570	14.8
58.32013	0.4
70.08794	2.1
71.95261	5.1
98.06080	0.8
98.21426	0.9
98.97588	100.0
116.98629	38.6
134.99673	8.9
140.00194	0.8
140.07082	0.7
153.00864	0.5
158.01382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60375	0.4
50.60617	0.3
54.98628	0.7
56.15349	0.4
56.96299	0.8
56.96569	14.8
61.11158	0.4
67.73164	0.4
70.27471	1.5
70.27837	0.8
71.95270	4.9
75.01331	0.4
86.62471	0.4
98.20897	0.5
98.97590	100.0
106.32595	0.4
111.52249	0.4
112.88036	0.4
116.98627	37.9
117.50160	0.4
134.99664	8.7
137.95798	0.4
140.00215	0.5
153.00752	0.6
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
51.84738	0.5
56.96298	0.8
56.96568	13.1
60.34901	0.5
61.82707	0.5
71.31605	0.8
71.95274	3.1
73.48621	0.5
98.97588	100.0
109.88661	0.5
114.22284	0.6
116.98626	36.8
121.20103	0.6
134.99666	9.2
140.00179	0.8
153.00735	0.9
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
52.11843	0.2
53.03940	0.3
54.51357	0.2
56.96573	1.0
56.96800	0.2
65.03930	0.3
67.05488	0.7
68.05017	0.4
69.39079	0.8
69.39506	0.6
72.01571	0.2
78.03024	0.3
78.03457	4.8
79.04217	1.0
80.05009	0.5
82.06564	0.2
82.07366	0.2
92.05004	0.4
92.05823	0.4
93.05787	0.3
94.06557	0.7
96.04494	8.8
106.02925	0.4
108.04480	2.9
109.05299	0.3
110.06089	1.0
110.06759	0.3
110.09690	0.2
111.03161	0.3
113.86450	0.2
113.93777	0.2
120.04531	0.3
124.03969	2.5
138.05504	100.0
139.05856	1.4
154.04988	0.4
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	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
53.92999	0.2
65.03919	0.6
67.05494	0.5
78.03468	0.3
86.10414	0.1
92.05004	5.3
93.05779	0.5
94.06567	12.6
96.04494	1.6
98.21518	0.4
110.06040	6.1
127.30125	0.1
136.03947	0.3
138.05501	100.0
139.05823	1.0
139.36253	0.1
154.04922	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03948	0.4
56.96316	0.2
56.96558	1.2
57.11647	0.2
61.34140	0.2
62.06908	0.3
65.03931	0.6
67.05493	0.4
70.40302	0.3
70.40646	0.6
78.03441	0.7
80.28456	0.2
90.56921	0.3
92.05007	6.3
93.05829	0.3
94.06570	13.8
96.04498	1.7
106.40883	0.2
110.05289	0.4
110.06046	6.4
120.63791	0.2
133.03468	0.4
138.05507	100.0
139.05836	1.5
154.04965	0.3
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	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03937	2.9
53.19620	1.2
55.01871	3.7
55.05515	10.8
57.03423	2.0
65.03942	7.8
67.05505	89.8
69.03416	3.9
69.07058	5.2
70.99072	3.3
77.00446	1.2
79.05495	14.4
81.07060	56.4
81.68471	1.1
83.04979	1.9
91.05483	100.0
93.07059	7.4
94.04199	6.0
95.04978	11.0
95.08610	19.0
99.86314	1.2
107.04948	4.3
107.08590	5.6
109.06528	16.7
109.10160	51.4
117.07017	1.5
119.04940	36.2
119.08556	5.0
119.43944	1.2
122.03657	6.4
122.07278	2.2
128.54037	1.1
137.05977	68.0
137.09615	40.5
137.13239	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03936	2.1
55.05502	4.2
57.07076	12.5
65.03938	1.3
67.05178	1.6
67.05504	18.5
69.07065	7.7
78.26840	1.1
78.33628	0.9
79.05491	13.4
80.62666	0.9
81.07058	90.9
91.05490	10.4
93.07049	6.1
94.04165	3.0
95.04949	1.5
95.08609	100.0
101.23787	0.9
107.04948	1.3
107.08578	1.5
109.06509	12.2
109.09443	1.6
109.10139	10.3
116.85193	1.2
119.04951	3.3
119.08548	1.1
124.17981	1.1
137.02490	1.4
137.05959	16.3
137.09630	2.4
137.12311	1.6
137.13274	19.9
138.05498	1.4
138.13536	1.2
144.54871	1.1
147.64175	1.3
158.10060	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
67.02979	0.5
71.06739	0.4
83.85159	0.2
92.02502	0.4
94.04054	2.4
109.05138	0.4
119.03552	8.5
136.06189	100.0
137.04610	3.0
137.06544	0.5
139.25952	0.2
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
50.61905	0.3
51.58423	0.4
53.03952	0.9
65.03944	1.1
66.04726	3.5
67.05523	0.9
70.28254	0.7
70.28632	0.9
71.61814	0.4
74.08132	0.4
79.05505	2.3
80.19244	0.4
81.07075	2.4
87.95397	0.3
91.05499	3.0
94.04195	26.5
98.20717	0.5
105.03359	0.5
107.04975	1.0
109.06510	1.4
122.03658	46.5
123.03994	0.6
137.05986	100.0
138.06342	1.5
143.45847	0.3
146.61176	0.4
155.13939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03934	8.1
55.01859	3.9
55.05523	13.2
56.96561	2.4
59.69508	1.9
65.03943	3.5
67.05511	23.4
69.07063	8.1
70.20213	2.2
70.20560	8.1
79.05495	72.6
81.07059	21.8
91.05479	29.8
93.07049	100.0
95.04980	8.0
98.20903	2.4
105.07011	9.3
107.04974	11.0
107.08599	75.7
109.24370	1.9
109.25181	2.3
115.05460	3.7
117.07040	4.2
119.03555	2.4
119.06024	3.3
135.04425	8.7
135.08060	27.7
135.11699	87.9
136.02168	16.4
136.06187	21.9
136.07597	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03935	7.3
53.04755	1.8
53.25190	1.8
55.01865	7.2
55.05515	12.3
56.48602	1.8
60.74921	1.8
65.03928	3.1
67.05508	30.7
67.47768	1.9
69.07053	7.6
71.56326	2.9
79.05495	79.4
79.11549	2.1
81.07056	27.7
91.05488	25.7
93.07045	100.0
95.04960	4.8
97.11256	2.4
105.04513	2.9
105.07040	5.6
107.04962	5.3
107.08598	66.2
109.06539	2.6
117.06986	3.0
117.32556	1.6
119.03585	2.2
135.04425	7.3
135.05441	2.6
135.06525	2.1
135.08063	26.3
135.11693	95.7
136.02174	14.5
136.06181	37.9
145.16858	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03942	5.3
55.05516	9.9
61.40141	2.0
65.03941	3.1
65.96861	1.7
67.04180	1.5
67.05508	52.1
69.07059	10.0
69.38667	1.6
70.06039	8.3
79.05497	58.3
81.07056	30.7
91.05482	19.2
93.07047	100.0
105.07043	3.6
107.04941	2.0
107.08599	57.7
133.10074	1.8
135.08044	6.7
135.11699	87.1
136.02139	2.3
136.06213	5.1
136.95067	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	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.01864	2.0
55.05510	11.3
59.55965	1.3
60.19067	1.3
67.05510	49.7
69.07066	9.1
69.37812	9.3
71.66650	1.3
77.03951	1.4
79.05498	68.2
81.07056	31.0
82.27929	1.2
84.23561	1.3
91.05490	20.1
93.07047	100.0
93.29892	1.0
95.04963	4.2
102.98627	1.1
104.47484	1.1
105.04510	2.9
105.07033	3.6
107.04959	1.8
107.08600	58.5
109.06512	1.2
115.05412	1.5
133.10141	2.1
135.04521	1.7
135.08080	10.4
135.11699	89.7
136.02148	2.0
136.06171	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	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59452	1.6
53.03948	8.3
55.01877	17.0
55.05509	10.1
67.05176	3.0
67.05508	39.4
69.07071	7.7
69.70296	3.9
69.70708	6.7
79.05496	76.0
81.07061	27.8
82.64574	1.6
91.05479	30.3
93.07048	100.0
95.04977	5.6
105.04523	3.9
105.07035	9.3
107.04946	7.3
107.08598	74.6
112.54545	1.6
115.05446	2.7
117.07037	4.2
119.03541	2.1
119.08612	3.1
135.04428	5.0
135.08070	40.6
135.11702	86.9
136.02162	8.8
136.06198	21.5
136.12065	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03938	5.2
55.05513	10.8
65.03935	2.4
67.05503	55.5
69.07076	8.7
71.07552	3.1
73.96417	1.4
77.03921	2.3
79.05495	70.9
81.07055	35.0
91.05488	23.3
93.07046	100.0
95.04956	4.7
95.62150	1.7
105.04524	3.1
105.07018	6.3
107.04974	4.1
107.08601	52.3
119.03580	1.5
135.04420	4.2
135.08070	11.0
135.11696	83.9
136.02162	11.0
136.06178	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	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.01874	2.7
55.05511	10.0
56.96581	1.0
65.03935	2.1
67.05503	46.9
69.03421	1.2
69.07073	7.9
71.56666	0.8
71.57051	0.9
77.03919	1.0
79.05491	66.5
81.03419	1.1
81.07053	28.8
86.72929	0.7
91.05479	25.3
92.43214	0.8
93.07041	100.0
94.07340	1.1
94.07861	0.9
95.04979	5.5
105.04519	3.1
105.07033	7.6
107.04971	5.5
107.08592	60.6
108.08930	0.8
109.06525	1.5
115.05437	3.0
117.07017	2.9
119.03569	2.0
119.06007	1.1
119.08571	2.5
120.14676	0.7
133.10106	1.8
135.04407	4.3
135.05481	1.3
135.06526	1.0
135.08061	16.6
135.11687	77.7
136.02156	9.8
136.06184	23.9
136.07440	1.1
136.07611	1.0
136.12050	0.6
137.04590	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03935	5.4
55.01863	3.7
55.05510	9.8
67.05503	50.9
68.85056	1.7
69.07068	9.1
69.73045	11.1
71.30898	1.7
79.05495	70.9
81.07059	31.1
91.05479	28.8
93.07043	100.0
95.04955	5.5
105.07021	4.5
105.28757	2.1
107.04944	4.4
107.08598	62.4
115.05406	2.0
119.08644	2.0
119.33572	1.7
135.04492	2.9
135.08073	13.3
135.11700	94.2
136.02173	3.6
136.06201	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03954	7.2
55.01859	4.3
55.05519	11.6
56.90973	1.6
67.05506	21.8
68.56328	1.4
69.07070	8.4
71.32086	2.0
72.44720	1.4
77.03902	1.7
79.05497	74.4
81.07056	24.6
91.05481	29.3
93.04578	2.2
93.07050	100.0
94.05327	2.2
95.04958	6.1
105.04506	4.0
105.07030	6.3
107.04963	3.3
107.08599	57.4
109.06534	1.8
135.04483	1.6
135.08076	10.0
135.11696	74.2
136.02164	5.3
136.06195	22.7
136.07263	2.0
136.07640	1.6
140.50864	1.4
145.12379	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03938	6.4
53.04164	1.4
55.01873	10.1
55.05507	8.5
56.96546	2.4
57.07079	1.8
62.50344	1.3
65.03934	5.1
67.05177	2.2
67.05510	33.0
69.03433	7.5
69.07072	7.3
70.73123	4.9
79.05498	77.6
81.07066	22.5
91.04897	2.2
91.05486	66.8
93.07050	94.2
94.07816	2.4
95.04974	8.9
105.04515	4.3
105.07039	26.4
107.04964	6.0
107.08598	100.0
109.01124	1.3
109.06519	8.7
115.05445	12.1
117.07034	15.7
119.03545	4.9
119.06086	6.5
119.08575	5.4
121.01571	1.8
133.10161	2.1
135.04427	4.6
135.05405	1.8
135.06525	2.1
135.06866	1.4
135.08066	34.7
135.11694	68.9
136.02174	13.7
136.06187	31.8
136.07686	1.4
137.04553	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03933	8.0
55.01866	1.8
55.05518	9.9
67.05509	15.6
69.07063	7.2
69.90755	4.7
69.91174	5.5
70.63280	1.8
77.03922	3.2
79.05495	62.7
81.07062	21.6
91.05481	33.5
93.07046	100.0
95.04964	5.4
105.04497	3.3
105.06983	5.1
107.04920	1.9
107.07879	2.8
107.08597	48.1
122.47186	1.7
135.04460	2.7
135.08040	6.9
135.10701	3.5
135.11687	54.8
136.02150	6.8
136.06198	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03942	10.0
55.01885	2.6
55.05515	17.5
55.48862	2.6
55.86201	3.2
59.22043	2.5
61.45671	2.4
65.40275	2.7
67.05500	23.3
69.07066	7.8
70.42474	2.7
70.61380	6.5
79.05064	4.9
79.05495	60.1
81.07064	14.3
91.05482	24.3
93.07047	100.0
95.04980	4.2
95.84616	2.7
105.04503	4.6
105.07027	7.9
107.04940	8.1
107.08599	77.6
117.07013	4.1
135.04384	10.3
135.05415	2.8
135.08072	17.9
135.10698	5.3
135.11703	82.5
136.02173	10.4
136.06201	27.8
145.25603	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.56870	1.4
53.03953	8.3
55.01863	5.5
55.05511	11.7
56.96556	3.2
65.03920	2.3
67.05507	16.9
69.03432	1.9
69.07058	4.9
71.45774	3.1
79.05497	65.3
79.05971	3.3
81.07057	16.3
91.00502	2.3
91.05482	41.4
92.06291	2.1
93.07047	100.0
95.04960	6.7
105.04514	3.5
105.07022	12.5
107.04973	15.4
107.08594	77.1
109.06509	4.7
115.05437	3.2
117.06993	6.3
119.06033	2.8
119.08562	6.4
120.09335	1.8
121.01595	1.6
126.93122	1.9
135.04402	20.9
135.05446	3.2
135.06482	2.7
135.08063	23.6
135.10706	3.0
135.11693	54.6
136.02170	20.8
136.06192	47.1
136.07489	3.3
137.04565	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03958	3.7
54.84442	1.9
55.01674	1.9
55.01878	20.8
55.05490	2.4
60.03864	2.0
62.98260	3.4
65.03931	7.2
66.37679	2.0
67.05512	11.3
69.03436	21.1
70.83508	2.0
71.56946	3.1
79.05496	64.3
81.07022	3.9
91.05484	100.0
92.06274	3.6
93.04530	13.6
93.07043	29.9
94.04057	2.6
94.05301	6.2
95.04960	9.2
105.04461	3.6
105.06406	2.8
105.07046	39.2
107.04958	7.6
107.08598	83.7
109.06532	15.5
109.07666	4.0
115.05460	32.4
117.07021	35.8
119.03520	4.1
119.06110	10.7
119.08598	3.2
120.05683	2.6
134.07115	10.7
135.04433	7.6
135.05539	4.9
135.06535	11.5
135.08052	97.3
135.09117	5.5
135.11707	9.8
136.02202	15.7
136.05147	4.8
136.06192	69.8
136.07422	3.5
136.07632	3.4
136.08574	5.2
139.04527	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	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.86811	1.5
53.03934	5.6
54.28180	1.6
55.01867	14.4
55.05508	2.3
57.44898	1.8
65.03934	8.5
65.68239	2.0
67.05515	10.0
69.03434	11.7
70.15377	3.2
70.15786	5.9
71.25310	1.7
77.03905	4.0
79.05496	80.4
81.07059	3.9
85.65971	1.9
89.03928	2.1
91.05486	100.0
93.07050	39.3
95.04966	7.3
98.20806	3.0
105.04530	3.6
105.07033	39.0
107.04976	9.1
107.08599	80.5
109.06550	13.1
112.01060	2.9
115.05460	28.5
117.07025	28.6
119.03539	2.0
119.06110	11.7
119.08578	3.1
120.05714	2.1
121.01559	2.2
130.77435	1.8
135.04463	10.7
135.08064	90.7
135.10794	3.5
135.11673	18.3
136.02162	10.5
136.06177	25.3
136.07594	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	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03951	11.4
55.01876	11.6
55.05497	4.6
56.96550	5.5
58.11304	1.8
65.03953	8.7
67.05508	8.4
69.03423	3.6
69.07069	4.2
71.40068	3.3
77.03902	2.4
79.05496	100.0
81.07044	3.8
91.05483	74.3
93.03377	2.2
93.05763	1.9
93.07040	42.8
95.04971	9.5
98.97624	2.1
105.04511	2.4
105.07055	26.0
107.04957	22.5
107.08598	63.7
109.06518	7.9
115.05451	19.5
117.07014	23.6
119.06063	7.2
119.08585	2.6
121.01549	3.0
135.04453	30.1
135.05478	3.2
135.06490	3.8
135.08063	70.2
135.11671	14.2
136.02200	10.9
136.06189	31.7
136.07262	3.0
142.50482	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.09203	1.3
53.03941	3.3
55.01676	1.6
55.01880	20.3
55.05487	2.4
65.03945	9.5
67.05511	7.7
68.57831	1.2
69.03436	21.3
70.00570	6.3
79.05500	62.6
81.07028	2.1
91.05488	100.0
92.05786	1.8
93.07052	20.0
95.04977	8.6
105.06388	2.6
105.07040	35.9
106.04182	1.5
107.04955	6.0
107.08601	85.6
108.08908	1.4
109.06522	12.4
115.05465	37.8
116.06244	1.5
117.07026	32.6
119.06082	13.1
119.08585	2.6
120.05723	2.2
121.01482	1.4
135.04431	4.3
135.08061	70.8
135.11633	8.0
136.02164	4.8
136.06180	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	135.026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.05501	0.4
55.72426	0.4
56.96304	0.5
56.96568	7.2
59.05779	0.4
63.79676	0.4
63.98963	1.1
70.67001	0.5
70.67358	1.1
70.98098	0.7
71.95252	1.6
72.99471	3.6
74.97603	2.0
79.05485	2.3
81.03408	0.4
82.00001	34.1
82.50172	0.9
86.97601	4.1
88.51572	1.2
89.00787	4.2
91.00523	100.0
91.05487	0.9
91.50686	2.7
93.07052	0.7
93.50765	3.0
93.99855	0.4
94.04110	0.6
97.52078	0.6
98.01300	15.1
98.97603	1.0
100.01044	24.1
100.51215	1.2
102.51306	11.8
103.00497	1.3
107.01820	2.3
107.04968	2.2
107.08595	1.2
109.52053	0.6
111.51838	2.0
112.01025	14.2
112.51260	0.5
112.95506	6.3
119.03555	1.4
121.01542	14.6
121.51725	0.6
123.51831	0.5
130.96527	4.8
132.52356	1.3
135.04396	3.9
135.11711	0.6
136.02196	1.4
136.06192	21.0
137.04660	1.0
146.99654	0.7
148.97618	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	135.026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.05501	0.4
55.72426	0.4
56.96304	0.5
56.96568	7.2
59.05779	0.4
63.79676	0.4
63.98963	1.1
70.67001	0.5
70.67358	1.1
70.98098	0.7
71.95252	1.6
72.99471	3.6
74.97603	2.0
79.05485	2.3
81.03408	0.4
82.00001	34.1
82.50172	0.9
86.97601	4.1
88.51572	1.2
89.00787	4.2
91.00523	100.0
91.05487	0.9
91.50686	2.7
93.07052	0.7
93.50765	3.0
93.99855	0.4
94.04110	0.6
97.52078	0.6
98.01300	15.1
98.97603	1.0
100.01044	24.1
100.51215	1.2
102.51306	11.8
103.00497	1.3
107.01820	2.3
107.04968	2.2
107.08595	1.2
109.52053	0.6
111.51838	2.0
112.01025	14.2
112.51260	0.5
112.95506	6.3
119.03555	1.4
121.01542	14.6
121.51725	0.6
123.51831	0.5
130.96527	4.8
132.52356	1.3
135.04396	3.9
135.11711	0.6
136.02196	1.4
136.06192	21.0
137.04660	1.0
146.99654	0.7
148.97618	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	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01881	7.4
56.05040	6.3
56.96568	15.6
57.03441	32.2
58.06604	6.1
58.99861	3.6
59.07372	4.1
59.52185	1.1
60.01391	1.4
60.08158	3.1
60.95116	1.2
61.02912	3.4
65.52190	3.5
65.78504	1.1
68.02647	2.8
68.98299	2.3
69.01913	1.6
69.03434	11.7
70.02937	1.2
70.06585	4.3
70.99857	4.6
71.04988	1.7
71.52182	1.4
72.08164	10.3
72.52970	5.5
73.02921	45.0
74.02447	12.9
74.06083	12.6
75.01901	1.6
75.04462	2.4
75.51968	1.6
77.00901	4.5
77.52183	9.3
78.52956	5.5
79.02162	7.3
79.03004	1.5
79.51900	1.7
79.96674	1.1
80.52700	1.9
81.03430	6.0
81.53498	1.4
82.01440	12.6
82.99859	5.3
83.01418	1.3
84.52978	5.6
84.96040	1.1
85.01427	1.3
85.02904	14.2
85.53721	4.9
86.03790	1.5
86.52706	36.6
87.01872	1.9
87.02770	4.1
87.53456	2.0
88.02687	28.8
88.03992	7.6
88.07609	1.7
88.52744	5.2
89.00832	2.3
89.52162	1.2
90.09189	9.9
90.52933	4.3
91.51906	1.8
91.53201	1.2
92.52699	1.8
93.01907	15.6
93.02807	1.8
93.53476	4.7
95.53227	17.3
96.03295	2.8
97.02352	1.4
97.02892	3.5
97.53302	1.8
98.06049	7.1
98.21606	2.4
98.52686	4.5
98.97604	3.8
99.04453	2.3
99.53471	9.0
100.02486	31.1
100.03539	1.8
100.52428	2.8
101.00195	1.3
101.00886	46.2
101.02585	4.8
102.00966	3.3
102.02415	18.7
102.09184	100.0
102.52485	2.7
103.02476	2.5
104.52686	3.6
105.00377	1.4
106.51553	2.4
108.53976	1.5
109.02867	3.3
110.51501	1.3
110.97567	1.4
111.02925	20.3
111.53011	3.6
113.00879	8.7
113.53195	7.2
114.00935	2.3
115.02437	4.7
115.52078	4.4
116.02534	1.1
116.03465	1.4
116.07100	3.1
118.03531	12.1
119.01926	63.4
120.01989	6.1
120.03456	3.1
121.01643	1.6
122.53725	7.8
122.54474	1.5
123.03958	1.4
124.02466	28.0
125.02560	2.9
128.01984	2.3
129.88153	1.2
131.00246	2.1
131.01912	21.6
132.02040	3.2
133.03484	4.6
134.03548	1.8
134.08167	2.4
134.11772	76.6
137.02956	4.6
138.03020	1.7
138.04015	1.4
138.05486	10.2
139.02443	1.3
141.02710	2.1
142.03506	87.9
143.01938	3.4
143.03653	10.4
145.03482	3.6
147.01373	2.9
149.01221	2.2
149.02982	2.4
154.03555	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01857	0.5
55.05495	1.8
55.19961	0.6
56.42823	0.5
65.03963	0.6
67.05515	0.8
69.54168	1.0
69.54578	3.0
69.96693	0.4
74.89151	0.5
79.05488	4.8
91.05484	18.3
93.07055	4.3
98.20816	1.0
103.05450	3.4
105.07034	59.9
106.07362	0.7
107.08610	0.7
112.02183	0.5
115.05447	5.5
116.06219	1.2
117.07034	6.8
118.07798	6.1
123.07993	1.1
129.07013	0.6
131.08583	7.6
133.02818	0.8
133.06528	3.9
133.10135	100.0
134.10503	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.4
55.01852	7.5
55.05508	2.6
56.05031	9.6
56.96566	21.2
57.03437	45.1
58.06587	6.9
58.99862	4.5
59.07368	4.2
59.52173	2.7
60.08142	1.8
60.95144	3.2
61.02920	4.2
61.94675	1.9
68.02629	4.0
68.98246	1.9
69.01915	2.1
69.03435	15.1
69.52443	2.0
70.06589	3.3
70.99860	4.6
71.04991	5.6
71.54972	3.2
72.08152	18.6
72.52967	7.7
73.02919	56.2
74.02440	15.2
74.06084	24.1
74.93168	2.6
77.52171	10.2
78.02264	2.7
78.52965	10.7
79.02174	14.3
80.52702	4.2
81.01896	2.4
81.03405	8.6
82.01437	18.4
82.99827	5.0
84.01552	2.0
84.52951	4.7
85.02909	16.9
85.53732	9.1
86.52701	44.4
86.99347	3.2
87.02731	6.2
88.02685	36.9
88.03986	8.4
88.07608	2.0
88.52773	4.1
89.00842	3.1
89.02567	2.5
90.09201	16.6
93.01888	19.1
93.53459	6.6
95.53229	18.4
97.01365	1.8
97.02888	5.8
97.81756	2.0
98.06065	10.1
98.52718	3.4
98.97597	3.3
99.04429	3.4
99.53471	16.2
100.00129	2.0
100.01865	2.6
100.02487	42.2
100.52422	4.4
100.54292	3.2
101.00887	58.7
101.02554	4.5
102.00964	6.7
102.02414	21.7
102.09181	74.2
102.52544	6.4
103.02504	3.7
103.03165	2.8
104.52663	3.1
106.51563	4.0
107.53230	3.0
108.53956	3.0
109.02887	4.9
111.02139	3.9
111.02920	25.3
111.53035	4.1
113.00871	12.7
113.53156	3.8
115.02442	5.5
115.52073	5.1
116.07117	2.6
116.98634	2.4
118.03508	12.3
119.01921	73.2
120.02056	6.7
120.03453	4.9
121.01643	3.3
122.53719	8.7
124.02451	39.0
125.00764	2.1
125.02551	4.0
126.04005	2.6
128.01941	3.4
129.03937	2.6
131.01910	26.7
132.01976	2.7
133.03479	4.2
134.03638	2.4
134.08043	2.2
134.11768	88.0
135.03171	2.4
136.02397	2.4
137.02945	6.7
138.05511	15.5
142.03500	100.0
143.01884	4.4
143.03616	14.3
144.04997	2.2
145.03474	4.8
147.01321	2.6
149.02930	3.8
154.03468	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.28030	0.4
53.03953	1.1
55.05499	2.1
57.55336	0.5
67.05493	0.9
70.09252	0.8
70.09666	1.5
74.02451	0.5
77.03954	0.5
79.05495	5.7
85.52597	0.4
90.69337	0.4
91.05480	15.7
93.07034	4.4
95.04986	0.6
103.05465	2.3
105.07030	53.5
106.07362	0.6
107.08571	1.1
115.05446	5.0
116.06242	1.0
117.07021	5.1
118.07801	6.0
123.07964	1.3
129.06996	0.5
131.08582	7.1
133.06549	3.3
133.10129	100.0
134.09647	1.2
134.10489	1.3
144.04695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.05508	4.9
56.96558	2.0
65.03935	2.1
67.05508	9.0
69.03405	1.2
70.06570	1.2
71.57021	1.2
79.05489	12.4
83.00598	1.0
83.78543	1.0
87.10014	1.5
88.02208	2.3
91.05477	84.2
91.86926	1.0
92.05824	1.8
93.07041	2.3
95.04944	1.2
97.02874	1.8
103.05457	6.1
105.07027	100.0
106.07374	1.1
112.02144	1.4
113.02947	1.4
115.05408	2.2
117.07012	3.2
118.07823	2.0
121.49475	1.0
123.07942	3.1
131.08553	7.5
133.06493	14.0
133.07578	2.7
133.10124	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	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03930	1.8
55.04285	1.0
55.05498	4.2
56.96569	1.6
61.54559	1.1
65.03949	2.1
67.05510	7.9
68.84402	0.9
69.03406	1.0
69.67442	2.8
69.67876	4.5
70.06585	1.9
70.55910	1.0
77.03937	1.0
79.05493	15.0
87.10034	1.6
88.02225	2.7
91.05483	85.6
92.05795	1.6
93.07055	2.5
93.62630	1.1
97.02840	1.4
98.20744	1.3
103.05453	2.9
104.06219	1.1
105.02183	1.2
105.07036	100.0
107.08609	1.2
110.01318	1.1
112.02161	1.3
113.02962	1.1
115.05466	3.3
116.06311	1.0
117.06990	2.3
118.07819	3.1
119.53423	1.0
123.07956	1.6
131.08563	7.9
132.51770	1.0
133.06500	12.9
133.07574	2.7
133.10132	57.9
134.09636	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03938	0.9
55.05501	1.3
56.96585	0.4
67.05477	0.4
70.57721	0.8
70.58089	0.9
79.05497	3.9
91.05486	11.8
93.07045	3.9
95.04948	0.5
103.05444	2.3
105.07035	38.7
107.08597	1.1
115.05457	5.2
116.06268	1.1
117.07021	5.1
118.07803	5.3
123.07933	0.7
131.08585	5.1
133.06482	1.5
133.10136	100.0
134.10454	1.7
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
52.57267	0.4
53.03924	1.1
55.05511	2.0
56.96560	0.4
63.50545	0.4
65.03926	0.4
70.79852	1.0
77.03925	0.6
77.17924	0.4
79.05068	0.6
79.05492	6.8
80.13614	0.4
91.05486	18.1
93.07040	4.2
95.04958	1.0
101.18360	0.4
103.05467	4.2
105.07030	54.2
105.64635	0.4
106.07361	0.4
107.08602	1.2
113.03003	0.4
115.05458	5.1
116.06243	1.0
117.07024	4.7
118.07806	5.1
123.07899	0.5
130.92732	0.5
131.08563	7.0
133.06509	14.0
133.10130	100.0
134.10501	1.5
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	0.6
55.05516	4.5
58.60245	0.4
65.03938	0.6
67.05495	2.1
71.56510	0.7
79.05485	5.2
87.06516	0.4
91.05478	32.6
93.07031	1.5
95.04956	0.6
103.05462	1.9
105.07030	100.0
106.07368	1.6
115.05433	1.2
117.07012	1.3
118.07809	0.9
128.69681	0.5
131.08562	5.1
133.06534	2.8
133.10127	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03944	0.7
55.05509	2.0
59.08218	0.3
59.81147	0.3
62.87808	0.3
65.03939	0.5
67.05504	0.5
69.59967	1.5
69.60386	0.4
79.05499	3.8
91.05483	16.3
92.06272	0.4
93.07048	3.8
95.04974	0.8
99.75327	0.3
103.05493	2.1
105.07033	45.8
106.07334	0.5
107.08609	1.0
115.05450	4.9
115.06183	0.5
116.06243	0.9
117.07017	5.0
118.07799	6.8
119.07357	0.4
128.79692	0.3
129.07033	0.8
131.08582	6.6
133.10133	100.0
134.09645	1.0
134.10495	1.0
149.03004	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03931	0.8
55.05510	3.9
65.03951	1.1
67.05508	1.8
68.12879	0.7
70.80183	1.5
79.05494	4.8
84.62202	0.7
91.05486	34.0
93.07074	1.6
103.05480	1.8
105.07033	100.0
117.07001	1.2
118.07803	1.5
118.68821	0.7
131.08586	5.4
133.06499	2.2
133.10133	40.0
134.10498	0.9
144.83203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03941	0.9
55.05496	1.7
56.96572	0.5
67.05490	0.5
69.03400	0.4
70.24953	1.7
77.03908	0.4
79.05490	4.1
81.04578	0.4
91.05482	13.7
93.07049	3.7
95.04951	1.0
97.03781	0.4
103.05457	2.6
105.07032	43.2
106.07351	0.8
107.08595	0.8
112.02188	0.6
115.05457	4.2
116.06235	1.1
116.15096	0.4
117.07024	4.6
118.07802	6.0
122.61115	0.4
123.07963	1.2
131.08568	5.9
133.06488	1.3
133.10132	100.0
134.10457	1.5
144.04745	0.4
148.80789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
56.96553	1.9
69.07085	1.2
70.58567	0.5
70.58910	1.4
73.96761	0.5
78.65141	0.5
86.09707	100.0
87.10034	1.2
96.55207	0.5
98.97617	0.6
100.02496	0.9
120.88589	0.5
132.10231	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
56.96546	0.8
68.95287	0.9
69.80981	3.6
84.08129	3.1
85.07938	1.2
85.08477	11.1
87.99864	0.7
91.05485	68.1
91.33368	0.6
92.05812	1.0
95.05499	0.7
98.21597	0.8
98.97588	0.7
103.05470	9.5
111.75723	0.6
113.07946	3.0
115.05444	3.8
116.06242	17.4
120.36448	0.7
129.07014	10.8
131.04913	2.0
131.08562	100.0
132.08934	1.1
146.88771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
56.96546	0.8
68.95287	0.9
69.80981	3.6
84.08129	3.1
85.07938	1.2
85.08477	11.1
87.99864	0.7
91.05485	68.1
91.33368	0.6
92.05812	1.0
95.05499	0.7
98.21597	0.8
98.97588	0.7
103.05470	9.5
111.75723	0.6
113.07946	3.0
115.05444	3.8
116.06242	17.4
120.36448	0.7
129.07014	10.8
131.04913	2.0
131.08562	100.0
132.08934	1.1
146.88771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0912
Annotation	3-Isopropyl-3-butenoic acid
Peak:m/z	Relative Intensity
52.07991	1.4
53.00305	2.2
55.01868	2.1
55.05513	11.9
56.96561	2.0
57.03430	3.9
57.33569	1.2
59.05009	13.2
65.03941	1.7
67.05506	14.9
69.03434	17.6
69.07070	100.0
71.05000	3.0
71.07033	2.5
79.05482	4.4
83.04976	4.3
83.08630	8.0
84.04493	5.3
84.08148	69.8
85.06549	6.8
87.04451	1.6
93.69421	1.4
94.48959	1.5
97.06541	1.7
111.04440	2.4
111.08102	5.0
112.07600	27.7
129.01843	16.3
129.05472	6.3
129.06995	1.6
129.09114	1.8
130.06537	4.5
130.08636	21.5
130.15909	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	127.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01874	1.5
55.05504	1.1
56.05029	0.5
56.96564	17.5
57.03439	0.8
58.06599	12.0
66.00520	0.4
67.05499	0.5
67.51068	0.5
69.03429	3.5
69.07059	0.9
70.06586	0.9
70.17831	0.6
70.18228	0.5
70.98120	0.9
71.04985	1.3
71.95272	0.5
72.52972	0.5
78.52969	0.8
81.01026	0.6
81.03416	6.1
82.01443	1.8
82.06558	0.5
83.00772	0.4
83.01524	0.5
84.01141	0.4
84.01565	0.6
84.08141	100.0
84.96037	0.8
85.05152	0.4
85.08491	0.6
86.51837	0.3
86.52691	1.7
90.01553	1.3
91.00533	0.3
92.52717	0.4
94.52435	0.6
95.00755	0.3
95.01301	0.3
97.02905	0.5
97.25790	0.3
97.96842	0.3
97.99177	1.7
98.21540	0.3
98.97603	2.0
99.02068	0.6
99.04463	0.8
100.02477	3.6
101.00880	1.0
101.02595	0.5
101.52327	0.3
102.02203	0.7
103.00642	0.5
103.02424	0.3
103.52126	0.3
103.53896	2.1
104.01300	2.3
104.52819	0.4
105.02080	0.5
106.03207	0.5
109.02879	9.1
110.52817	0.3
110.97565	2.5
112.03956	0.8
112.54423	6.4
113.01790	1.9
113.02466	0.3
113.04593	0.4
113.49898	0.3
114.04012	0.4
115.02374	0.3
116.00274	0.3
116.01270	0.3
116.98628	0.7
118.03546	1.0
119.01916	0.7
119.03642	0.5
121.01640	2.2
121.54945	0.7
122.02136	1.9
124.52547	0.3
124.53458	0.4
124.99142	0.6
127.00703	0.4
127.03917	11.9
127.07265	1.3
127.12309	3.5
128.98611	3.1
131.01920	0.5
133.03508	0.3
139.02722	0.3
142.03477	0.6
143.00186	1.4
143.03079	0.3
145.01692	0.3
145.03545	0.5
146.99652	1.0
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
53.03927	2.5
55.01872	16.1
55.05270	3.9
55.05513	63.3
57.03439	4.0
60.70757	2.3
61.36857	2.3
67.05498	14.3
69.03423	11.4
69.07072	15.2
71.01296	2.0
71.57179	3.7
78.95257	2.0
79.05493	32.4
81.07059	45.0
82.06562	2.7
83.04977	22.4
83.08609	7.6
88.70507	2.1
91.05475	9.7
95.08621	3.8
97.02903	25.9
97.06532	5.3
97.10175	24.6
102.02239	8.4
105.07052	5.2
107.08600	23.2
108.04485	2.6
125.02360	11.6
125.04350	10.9
125.05979	7.0
125.07159	3.9
125.08224	5.0
125.09641	100.0
125.10544	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	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.7
55.05520	6.5
57.07088	7.3
65.03937	2.3
67.05188	1.8
67.05512	29.0
67.05873	1.4
68.05032	1.2
69.07040	3.1
69.72169	4.2
69.72588	2.5
77.03912	2.7
78.03440	1.4
79.05498	17.0
80.04572	1.8
80.05019	21.5
80.05758	1.7
80.06250	1.2
81.07059	100.0
82.01041	1.5
82.01454	16.4
93.07029	6.1
95.04369	2.7
95.04976	50.3
95.08607	33.6
96.04493	5.7
96.08165	1.5
100.02488	40.5
105.04516	2.9
105.07008	2.4
106.02932	1.2
106.07362	4.8
108.05704	4.0
108.07678	6.3
118.03525	15.6
119.01928	1.9
123.04429	15.6
123.05545	68.0
123.08073	24.6
123.09038	2.4
123.09189	2.0
123.10008	13.7
123.11710	37.6
124.03950	8.3
124.07582	5.0
127.01035	1.3
132.73518	1.5
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
51.58204	0.5
52.64038	0.5
53.03950	4.8
55.05515	10.7
56.96566	0.7
57.02591	0.7
57.07061	2.1
59.66566	0.6
65.03935	2.8
67.05508	49.9
69.07054	1.1
71.09917	0.8
71.10260	0.8
73.18326	0.7
76.78703	0.8
77.03933	1.1
77.48143	0.6
78.03448	1.0
79.05067	0.7
79.05494	8.1
80.05019	10.6
80.06274	0.8
81.03418	5.2
81.06581	1.5
81.07061	29.3
82.01448	13.1
90.95137	0.7
91.05479	3.2
93.07050	11.5
95.04974	40.1
95.08611	47.3
96.04495	2.8
100.02485	27.8
100.03146	1.4
102.07296	0.6
105.04525	1.8
105.07043	3.0
106.02936	0.9
106.07365	1.3
107.02595	0.7
107.04963	1.1
108.05737	2.6
108.07677	4.4
118.03528	11.7
119.01912	1.3
121.10157	0.8
121.11366	0.6
123.04459	8.5
123.05558	42.5
123.08070	100.0
123.09966	8.7
123.11694	9.6
124.03974	5.0
124.08436	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02371	0.9
53.03949	4.1
55.01867	1.1
55.05518	11.4
57.07076	2.1
65.03931	2.1
67.05508	52.9
69.63448	6.1
74.30126	1.0
77.03928	1.4
79.01847	0.8
79.05496	8.0
80.05020	10.1
80.06290	1.2
81.03432	5.8
81.07059	25.1
82.01451	12.3
86.43477	0.8
86.77660	1.0
88.28426	0.9
89.51405	0.9
91.05482	3.0
93.07051	13.4
95.04973	35.8
95.08611	40.6
96.04498	4.1
100.02489	29.0
101.00826	0.8
105.04519	1.8
105.06998	2.0
106.07343	1.4
108.05737	2.6
108.07669	3.4
118.03520	8.4
119.01899	1.0
123.04433	7.6
123.05556	40.5
123.08069	100.0
123.09993	3.2
123.11674	5.9
124.03986	4.1
124.07576	1.1
124.08445	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	2.3
58.99861	1.7
70.10419	2.6
70.10820	1.5
72.52984	0.7
80.05010	3.3
82.01443	51.4
85.21095	0.6
95.04999	1.6
96.04516	0.9
98.20836	0.9
100.02482	100.0
101.00883	8.5
101.02581	1.0
118.03522	26.8
119.01923	18.0
119.03603	0.7
123.04120	1.3
123.05546	12.6
137.02957	2.8
142.03503	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0555
Annotation	Nicotinamide
Peak:m/z	Relative Intensity
51.50933	0.2
53.03944	0.4
55.05500	0.2
56.96576	0.5
57.03444	0.2
58.99876	0.3
69.72723	0.3
69.73130	0.8
78.03445	2.1
79.04226	0.2
80.05016	25.8
82.01443	8.1
93.53497	0.2
95.04961	0.3
95.06105	0.4
96.04489	6.1
100.02483	14.7
101.00866	0.9
101.02583	0.4
106.02908	1.8
118.03525	4.6
119.01915	1.9
119.31467	0.2
123.05550	100.0
124.03946	1.9
124.05898	0.5
137.02977	0.4
142.03543	0.2
143.61482	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	1.4
65.09115	1.0
70.96604	1.2
70.96922	1.2
75.14984	1.0
75.76339	1.0
76.23371	0.9
80.05013	4.2
82.01446	51.2
95.05011	1.2
98.20605	1.0
100.02485	100.0
101.00885	4.4
101.02557	1.1
118.03523	25.3
119.01934	6.9
123.04140	1.7
123.05560	14.3
137.02922	1.3
141.05162	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
66.37846	0.8
70.09705	1.5
70.10104	2.1
72.49436	0.8
82.01449	46.3
88.67500	0.7
98.21440	0.8
100.02487	100.0
100.36048	1.0
101.00900	5.0
101.02596	1.0
101.56712	0.8
118.03529	25.8
119.01931	11.0
123.04005	1.6
137.02943	1.8
142.03479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66931	0.9
54.44408	0.9
58.99852	1.0
70.36095	2.2
82.01446	51.1
83.05530	0.9
100.02486	100.0
101.00900	7.0
101.02576	1.1
118.03522	27.9
119.01921	16.0
120.47394	0.7
123.04083	2.1
123.05524	1.4
137.02950	2.6
142.03442	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.83020	0.9
52.36839	0.9
53.03947	6.7
53.54240	1.0
55.05510	13.2
58.81153	0.9
65.03918	1.3
67.05172	1.3
67.05504	13.2
69.63501	0.9
71.56912	1.0
77.03930	1.5
79.05495	69.7
81.04541	10.2
81.07046	1.9
90.42250	0.9
91.05479	20.4
93.07045	100.0
95.04985	7.5
103.05486	6.2
105.04498	4.8
105.07033	21.2
105.07732	0.8
106.06519	1.2
106.07762	1.8
107.07341	8.1
108.99845	0.9
110.25996	0.9
119.08558	2.7
120.05562	2.0
121.02860	3.7
121.03970	2.3
121.06491	11.2
121.10138	43.3
122.07179	8.0
122.09671	15.4
122.10506	2.0
123.08038	1.2
133.07568	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	29.5
56.96567	14.1
57.03445	4.2
60.95142	100.0
61.95188	2.8
65.03945	2.7
69.03426	3.7
71.33897	2.9
71.54995	3.1
72.52907	2.7
74.06075	40.1
78.92464	3.0
78.96194	7.3
79.50865	2.9
80.33139	3.2
82.01448	5.2
84.01205	3.4
85.53773	3.9
86.52703	3.5
100.02502	4.5
101.02544	4.8
101.97752	25.1
102.00949	5.5
102.02234	5.7
102.05540	10.3
119.98795	76.0
120.01986	18.2
120.08092	3.5
137.99823	44.9
138.03067	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03949	2.3
54.62889	0.7
59.06122	4.4
61.47054	0.6
65.03929	2.5
67.05483	1.0
71.57166	0.9
73.83565	0.8
77.03527	0.9
78.04694	0.8
79.05489	5.3
80.12698	0.7
82.90282	0.7
84.35372	0.7
87.05588	1.0
87.70441	0.7
91.05482	84.3
92.04981	0.8
93.00156	0.6
93.07043	4.0
95.04962	2.0
95.48444	0.6
103.05470	8.2
104.06244	7.3
109.06496	0.8
115.05463	5.0
117.07019	28.3
119.04974	1.3
119.06060	4.2
119.08579	100.0
120.05552	1.1
120.08927	0.7
120.10165	0.8
120.46774	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	Betaine
Peak:m/z	Relative Intensity
55.05509	3.7
55.76789	0.2
56.96567	2.7
58.06601	19.8
58.95419	0.3
59.04990	0.3
59.07382	23.2
66.39175	0.2
69.03436	0.3
70.16062	0.3
71.54766	0.4
72.08158	27.9
82.01439	0.5
83.52369	0.4
87.04464	0.7
88.50526	0.3
90.72580	0.3
94.06559	2.3
97.51068	0.4
100.02502	1.5
100.07597	0.3
104.52880	0.6
106.50835	0.5
106.51556	8.5
107.01743	0.6
112.07587	0.2
115.52079	10.1
116.02247	0.4
118.03510	0.5
118.08656	100.0
119.01872	0.3
119.08987	0.4
124.52597	0.5
125.04738	0.5
127.02854	0.4
136.00081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03935	0.7
54.95786	0.2
55.05512	15.2
56.05042	0.3
56.15886	0.2
56.96572	1.0
57.05820	1.1
58.06599	1.8
59.05004	0.3
59.07385	2.3
61.53484	0.2
63.30227	0.2
64.32009	0.2
69.03434	0.5
69.39124	1.3
72.08156	100.0
73.02151	0.2
73.08497	0.4
76.92868	0.2
78.96054	0.2
82.01432	1.0
83.52348	0.4
84.08148	0.3
85.00438	0.3
90.01576	0.3
94.54279	0.3
98.20697	0.4
99.72244	0.2
100.02480	1.4
106.05045	0.7
111.80447	0.2
112.07613	0.8
115.05568	0.3
115.83481	0.2
118.03559	0.4
118.08659	12.5
118.84178	0.2
129.17917	0.2
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
50.01594	1.8
51.02383	3.2
53.03711	2.4
53.03950	44.0
55.01872	2.3
55.05509	1.7
55.14138	1.2
58.06609	2.0
66.92001	1.4
69.74217	8.4
69.89483	1.2
72.08157	16.3
77.03946	7.4
81.03433	4.5
87.04457	3.1
87.88051	1.3
91.05501	7.2
95.04972	41.6
96.98390	1.2
97.46661	1.2
105.04519	21.3
117.07076	2.1
118.06557	100.0
118.07307	4.3
118.08635	6.4
119.08605	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01599	1.4
51.02388	2.1
53.03711	2.8
53.03949	46.3
55.01881	2.6
56.66703	1.5
58.06594	3.2
59.06121	1.8
59.07387	2.4
69.72612	1.3
69.96280	1.5
70.95889	3.0
71.72079	1.4
72.08161	11.6
77.03931	9.1
79.37460	1.4
81.03419	3.7
81.97160	1.5
87.05592	1.5
91.05476	7.0
95.04971	46.9
105.04522	27.3
116.05757	2.0
117.07038	2.5
118.06550	100.0
118.07275	3.9
118.08653	10.9
118.12272	2.9
119.08575	3.9
127.11367	1.2
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
50.01595	2.2
51.02384	2.6
53.03709	2.8
53.03949	42.7
55.01868	3.8
55.05500	2.0
58.06594	1.9
69.77139	1.1
70.87247	3.4
72.07104	1.2
72.07871	1.1
72.08163	13.0
74.51831	2.0
77.03930	9.0
81.03419	3.6
91.05478	7.2
95.04972	43.7
95.05566	2.5
105.04514	19.9
116.05795	1.8
118.06554	100.0
118.07300	5.2
118.08674	5.5
119.06867	1.8
119.08603	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01583	1.4
50.78790	1.5
51.02371	2.9
53.03950	41.8
55.01867	1.9
55.05501	2.2
69.21012	13.9
72.08158	16.4
77.03919	5.6
81.03413	4.9
91.05479	7.2
91.46295	1.5
94.20541	1.5
95.04971	40.7
96.40034	1.5
98.20737	2.4
105.04520	20.2
118.06548	100.0
118.08691	4.0
119.08630	2.9
119.39607	1.5
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
50.16663	1.1
51.02379	5.0
53.03714	2.4
53.03949	41.2
55.01864	3.1
55.05503	3.2
59.59277	1.3
68.86565	1.0
71.07615	2.5
72.08156	17.2
74.51836	1.2
75.04102	1.0
75.46717	1.2
77.03924	6.8
81.03415	4.2
83.52359	3.3
91.05479	13.8
93.23600	1.1
95.04971	35.2
105.03835	2.4
105.04513	22.3
113.32049	1.1
114.41872	1.2
116.05787	2.5
117.07046	2.8
118.06544	100.0
118.07284	4.3
118.08695	3.2
119.08565	11.2
127.35571	1.2
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
51.02374	3.2
53.03950	43.6
55.01864	3.1
65.84816	1.5
70.21562	1.9
72.08169	8.8
77.03929	8.1
81.03418	4.1
91.05501	8.2
92.52942	1.7
95.04977	44.6
103.07339	1.4
105.04526	22.1
114.58440	1.9
116.05767	1.6
117.07024	3.4
118.06554	100.0
118.07298	4.7
119.06903	1.6
119.08583	6.3
130.21468	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01580	2.4
53.03705	2.8
53.03947	47.6
54.29675	2.1
55.01862	2.6
55.05515	2.0
56.52874	1.8
70.01434	8.5
71.54992	1.6
72.08157	7.2
77.03928	8.8
81.03419	3.6
90.89164	1.7
91.05486	6.0
95.04961	42.3
102.49447	1.8
105.04515	19.6
118.06549	100.0
119.08625	3.6
121.43955	2.1
136.05589	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	118.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	3.1
51.33646	1.6
53.03947	45.4
55.01875	3.1
55.59651	1.5
55.59901	1.5
57.28069	1.5
72.08162	9.9
77.03937	8.9
81.03432	3.4
85.79993	1.7
91.05467	7.1
95.04971	47.7
105.04520	23.7
117.06995	3.0
118.06547	100.0
118.07261	3.8
118.08657	4.2
119.08576	4.1
125.90738	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02374	4.1
53.03715	2.6
53.03951	43.1
55.01889	1.7
55.05507	3.1
56.45102	1.3
58.06590	1.6
71.00061	2.7
71.00377	1.6
72.08161	18.5
77.03936	8.8
81.03419	3.3
83.52368	2.8
91.05489	9.4
92.52895	2.6
95.04973	42.7
105.04517	24.0
116.05816	1.8
117.07059	1.7
118.06546	100.0
118.08656	3.5
119.08585	2.0
125.94740	1.4
132.80162	1.3
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
56.72371	4.5
56.96571	28.5
58.95409	8.1
69.03407	7.8
70.24850	16.9
71.95233	4.9
72.27521	4.4
75.84382	4.7
81.03404	5.9
82.01414	5.2
84.08149	4.9
98.21389	5.6
98.97578	100.0
100.02473	13.3
101.02581	4.2
103.03690	4.9
104.32333	4.8
106.05058	6.9
116.98611	38.6
134.99689	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	114.0916
Annotation	epsilon-Caprolactam
Peak:m/z	Relative Intensity
53.03941	0.4
55.01859	1.2
55.05511	1.6
56.96556	1.0
57.03415	0.7
59.04984	0.7
67.05496	1.3
68.05026	2.6
68.05822	0.7
69.03413	0.7
69.07068	15.0
70.06583	0.6
70.13694	0.6
70.14085	0.5
70.98073	0.3
71.04985	0.6
71.08617	0.9
72.04505	0.7
72.08147	1.2
72.93788	21.6
73.06550	0.8
79.05491	12.8
80.05767	0.3
84.08157	0.5
86.06073	2.3
86.09692	1.0
87.04455	0.7
90.94821	4.7
91.02316	0.6
91.48219	0.3
92.70218	0.3
96.04499	0.5
96.08128	7.8
97.02881	0.4
97.06521	5.4
100.94408	0.3
108.95866	0.4
113.96384	2.1
114.02688	1.2
114.05526	3.0
114.09165	100.0
115.03937	0.5
131.97440	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02417	1.6
51.41448	1.8
55.01859	3.2
55.05510	2.9
55.81107	1.8
56.96572	19.6
57.03424	5.4
58.02952	2.0
58.99853	6.3
59.99937	1.9
62.73935	1.8
69.03419	4.8
70.02644	6.8
70.06586	5.3
70.99852	7.7
71.52190	2.9
72.02215	1.9
72.04504	5.4
72.08138	6.4
72.52054	1.9
73.02941	2.7
73.93274	1.8
77.00877	4.0
78.52954	3.0
79.02149	2.6
80.52703	6.1
81.02748	5.5
81.03381	2.9
81.52563	4.9
82.01432	43.9
82.01859	3.9
82.99813	3.2
83.01531	4.8
84.01180	4.1
85.02882	2.5
86.06106	2.4
86.09696	6.7
86.52689	3.3
88.02698	5.0
89.00900	5.1
90.80033	1.9
91.02340	6.4
92.52728	2.2
93.01931	2.2
93.51968	2.1
93.53427	4.0
100.02481	100.0
101.00879	12.0
101.02563	8.8
102.00986	5.5
102.02274	7.2
102.03236	2.3
102.53104	4.6
103.00622	4.2
111.02933	4.1
111.53646	4.4
112.07555	3.4
113.00881	3.6
114.03996	3.6
114.06651	16.3
114.09171	19.6
114.89323	6.8
115.02482	3.8
116.03807	3.1
118.03520	31.4
119.01934	15.3
119.03612	1.9
120.02009	6.0
120.03305	2.5
121.01659	8.3
123.04053	2.6
131.01892	9.5
132.02014	2.3
132.05074	2.6
133.01645	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	113.0965
Annotation	4-Hepten-2-one
Peak:m/z	Relative Intensity
50.40434	0.4
53.03938	0.7
54.03454	0.5
54.38322	0.4
55.01865	1.9
55.05513	4.9
56.96566	2.6
57.03438	19.5
57.07058	2.0
60.04521	1.0
60.75195	0.4
65.03943	4.3
67.01867	3.9
67.05506	50.2
68.05022	2.1
69.03428	2.9
69.06718	0.8
69.07069	9.8
69.37643	1.1
69.38055	3.4
70.02967	4.8
70.06587	1.8
71.01383	0.5
71.04993	13.5
71.94108	4.7
71.95261	2.1
72.04510	0.7
72.08159	0.7
72.93792	23.0
79.05489	0.7
83.04965	1.6
85.02892	0.9
85.06544	11.6
86.06042	0.7
89.00247	1.8
89.50320	2.0
89.52351	0.5
90.00127	3.0
90.94828	9.6
93.07044	3.8
95.01345	3.5
95.02473	0.8
95.04970	17.6
95.06012	0.7
95.08609	46.9
96.00867	4.5
96.04504	0.9
96.08181	0.7
96.08964	0.4
98.00766	1.2
98.21498	0.7
98.50909	0.7
99.00666	2.7
108.95875	1.7
113.02373	100.0
113.03482	7.8
113.06008	16.4
113.07174	1.5
113.07967	2.2
113.09645	11.9
113.10810	1.1
113.22923	0.5
113.96416	2.5
114.02703	1.1
114.05536	1.5
114.09163	5.4
117.95988	0.8
119.95728	1.3
120.97933	0.5
131.97456	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0597
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
50.68238	2.1
57.03441	100.0
63.01009	2.4
65.03934	4.3
67.05508	55.2
67.05871	2.9
68.05018	2.8
69.03431	3.5
69.61298	2.1
70.02940	3.5
71.04985	10.1
71.07490	3.6
72.31948	2.9
77.21378	2.3
77.41986	2.3
85.06552	39.6
88.40964	2.2
90.00124	4.3
95.04975	35.5
96.00875	3.1
104.08035	2.2
105.48186	2.2
113.02377	48.8
113.03514	12.2
113.06010	21.3
126.78169	2.3
127.75649	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	113.0601
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
53.00326	0.4
55.01874	1.0
55.05505	0.9
56.96574	1.0
57.03441	16.6
57.07081	0.7
59.40307	0.3
60.05884	0.3
65.03944	11.4
67.01874	0.7
67.05508	100.0
68.04995	0.4
69.03435	3.3
69.07067	0.9
70.02940	1.6
70.06596	0.5
71.04998	11.4
71.47686	0.6
71.94109	0.7
71.95264	0.7
72.93793	3.3
82.38713	0.4
83.04985	1.1
85.02912	0.5
85.06552	5.5
89.00275	0.4
89.50396	0.4
90.00146	1.4
90.94822	1.0
95.01342	1.4
95.04973	64.5
95.08611	1.8
96.00876	0.9
98.00759	0.5
98.50853	0.6
99.00629	0.6
113.02374	29.7
113.03474	2.3
113.06010	14.3
113.07970	0.3
113.09644	1.6
114.09172	0.9
119.95702	0.4
131.97377	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0598
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
52.75041	2.6
57.03436	100.0
57.07061	3.6
61.43024	2.5
65.03928	3.8
67.05506	62.9
69.03431	3.4
69.73672	7.3
69.74088	6.8
70.02943	6.0
71.04975	7.8
85.06544	57.1
86.56888	2.4
89.00243	3.2
95.04966	49.8
98.20906	5.9
113.00025	6.2
113.02370	71.2
113.03494	7.2
113.06003	36.6
114.09132	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	1110.6417
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05492	15.2
81.03420	2.7
81.07056	14.9
83.04987	2.4
83.08150	0.3
83.08615	5.0
85.02901	2.4
85.06525	0.9
91.03948	0.9
91.05475	14.2
93.07041	13.8
93.07633	0.6
95.04976	2.9
95.08602	9.3
97.02899	2.3
97.06526	6.5
97.10167	6.7
98.97566	1.1
99.04433	0.9
99.08080	0.8
101.06017	0.3
103.03937	0.5
103.05424	0.4
105.06312	0.7
105.07027	14.0
107.04951	3.8
107.08593	19.0
108.08893	0.4
109.02882	0.7
109.06521	2.3
109.09464	0.5
109.10156	7.2
111.04443	0.3
111.08073	1.5
112.99113	0.4
113.09653	0.3
115.05430	0.7
116.06232	0.3
116.98612	0.6
117.07010	5.5
119.08585	9.5
121.06502	2.0
121.10141	5.9
123.04382	0.4
123.08051	1.5
123.11707	1.8
125.05994	0.4
125.08765	0.5
125.09631	7.1
127.03928	1.6
128.06215	0.7
129.05501	0.4
129.07004	1.8
130.07755	0.4
131.00130	0.6
131.08565	7.8
133.06482	0.4
133.10121	9.2
133.11090	0.7
135.08058	2.5
135.11694	5.0
137.09605	1.3
137.13275	0.4
139.11165	0.7
141.06998	1.3
143.00221	0.3
143.08557	1.6
145.04956	0.4
145.06487	0.7
145.10121	11.3
147.08067	0.5
147.11691	6.8
149.01210	1.1
149.02347	1.1
149.09625	5.8
149.13277	2.9
151.11215	0.7
153.07014	0.4
153.09064	0.6
155.08571	1.0
155.10631	0.5
156.03632	0.5
157.10115	2.2
158.99667	0.4
159.08170	0.3
159.11682	8.0
161.09578	0.7
161.13222	3.0
163.11166	3.9
163.14883	0.4
165.12686	0.5
169.10107	1.4
171.10170	2.5
171.11688	2.1
173.04507	0.3
173.09695	0.3
173.11740	1.1
173.13263	3.8
175.11198	1.0
177.00764	0.4
177.12733	3.8
179.14326	2.3
183.11713	2.1
184.07367	0.6
185.13248	1.0
187.11186	0.7
187.14810	0.8
189.11229	4.7
189.12747	0.3
191.14290	0.5
193.12398	0.3
195.13795	1.2
197.13283	1.5
199.02763	0.4
199.14819	0.5
211.14871	0.6
213.16391	0.6
215.14429	0.4
215.18155	0.4
217.15948	0.5
219.01736	0.4
219.13876	0.5
225.12810	0.3
227.12767	7.1
229.14330	7.7
229.19450	1.8
233.15314	0.7
233.18993	0.4
239.17957	3.4
244.09596	0.4
244.63521	0.3
245.13820	3.4
247.20569	1.7
251.16446	1.1
252.09450	0.4
253.07390	0.4
253.18047	0.7
255.15866	4.7
257.19019	10.8
259.11844	0.4
269.17468	18.6
270.17856	0.4
275.20056	22.4
276.20319	0.6
279.05435	0.5
284.12650	0.8
293.05264	0.4
293.13217	4.1
293.20993	1.8
293.63461	0.5
297.06430	0.7
309.20599	0.9
321.17108	0.4
321.24280	0.4
331.15860	0.5
331.22733	2.0
333.17981	0.3
339.25543	0.4
349.23721	100.0
350.24005	2.9
367.24777	14.7
367.29474	0.6
389.17883	1.7
391.19882	0.4
391.24686	0.6
395.20584	0.4
413.21704	1.8
419.24097	0.4
451.31815	0.4
457.25845	0.5
475.27109	0.7
487.34286	0.5
493.27939	1.3
495.08810	0.3
495.14969	1.9
511.29102	6.6
529.29919	1.3
537.16376	2.3
564.33618	0.5
565.19470	0.5
566.28491	4.6
566.78564	1.4
569.29004	0.4
617.40283	0.8
635.40857	0.8
715.47162	0.9
733.49329	0.5
866.12183	0.3
936.17554	0.4
1110.56201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38706	0.5
53.03941	1.4
54.03469	0.8
55.01879	1.5
55.05515	31.5
56.05036	2.7
57.07082	1.3
58.06606	2.5
65.03933	1.0
65.86205	0.5
67.05514	2.4
68.05048	4.4
69.03441	1.4
69.04559	2.7
69.07072	100.0
69.34743	1.5
69.35165	2.4
70.02962	1.2
70.04916	0.8
70.06595	25.3
71.07370	1.5
71.34619	0.5
77.74326	0.4
80.05000	0.6
80.75382	0.4
82.05322	1.0
82.06576	1.3
83.04999	3.7
83.06100	4.5
84.04520	0.5
84.08155	2.4
88.00490	1.3
91.05473	0.6
93.04540	0.6
93.07063	0.7
94.06574	3.6
95.06116	1.1
96.05611	1.4
96.06890	2.6
97.00981	0.8
99.51257	0.8
107.90067	0.5
110.07172	5.6
111.04462	3.9
111.05600	10.5
111.06712	2.2
111.07516	4.9
111.08041	2.1
111.09209	71.0
111.11712	1.5
112.05089	1.2
112.08740	5.2
115.96449	0.5
120.08941	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03950	4.7
55.01878	0.7
55.05512	9.4
65.03931	3.0
65.20697	0.5
67.05507	100.0
69.07076	5.9
69.81683	0.6
71.25461	0.5
71.25793	1.1
76.05148	0.5
79.05500	8.1
80.06268	1.2
81.03423	7.7
81.07058	32.8
85.66352	0.6
86.00687	1.8
86.21786	0.6
86.50614	1.4
87.00465	5.0
91.05456	1.6
94.04208	0.8
94.07836	1.1
96.01013	0.7
107.08604	4.6
109.02889	2.4
109.06531	7.2
109.10160	60.6
110.06068	1.2
113.96400	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	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03946	4.3
55.05516	7.6
63.71456	0.5
65.03942	4.2
67.05508	100.0
69.07076	3.8
70.90081	1.1
79.05503	11.5
80.06277	1.0
81.03432	5.5
81.07061	31.5
87.00467	2.3
91.05493	1.4
91.84973	0.5
94.07849	0.8
98.51218	0.6
107.08617	3.1
109.02894	1.9
109.06525	11.8
109.10165	53.1
113.96394	0.8
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	Unknow
Peak:m/z	Relative Intensity
53.03947	7.7
55.05511	10.8
65.03932	4.1
67.05502	100.0
67.43228	0.8
69.07078	5.4
71.06976	1.1
71.07316	1.8
77.99934	2.4
79.05498	10.3
80.06260	1.6
81.03415	12.0
81.06583	1.9
81.07058	34.3
86.00688	3.2
86.50571	1.3
87.00468	9.2
88.93347	1.0
90.87521	0.9
91.05436	1.0
94.07793	1.4
96.00952	1.0
104.92307	0.9
107.08604	4.3
109.02884	4.3
109.06524	11.7
109.10154	61.6
110.06002	1.4
113.96399	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.67759	0.6
53.03948	5.5
55.05509	7.0
64.44473	0.5
65.03944	4.8
66.15934	0.5
67.05505	100.0
69.07064	5.2
71.56624	0.6
71.57124	0.6
74.99837	1.4
77.50085	0.6
77.99950	1.7
79.05495	18.4
80.06283	1.2
81.03416	6.2
81.07056	42.7
81.53069	0.6
86.00711	2.1
86.50613	4.6
87.00465	8.1
88.23935	0.6
89.00824	0.7
91.05452	3.2
94.04189	2.3
94.07864	1.2
96.01019	0.8
98.01411	0.9
98.51258	2.7
107.08606	3.4
109.02882	2.5
109.06513	18.4
109.07675	2.5
109.10157	56.3
110.06036	2.2
110.10505	0.7
111.96887	1.0
112.96674	1.7
113.96407	2.5
121.08132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03950	2.9
55.05509	7.6
64.65726	0.7
65.03937	3.2
67.05505	100.0
69.07071	4.0
69.44624	2.7
69.45047	2.4
77.99979	1.1
79.05495	7.7
80.06277	0.9
81.03402	1.9
81.07056	30.6
86.00670	1.5
87.00460	5.9
91.05468	1.9
94.04163	0.7
94.07824	0.9
98.01433	0.9
98.20727	0.7
98.21295	2.2
107.08584	3.8
109.06531	6.3
109.10156	54.0
109.44942	0.7
110.06016	0.8
110.48295	0.7
113.96407	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.03947	8.1
55.01872	3.8
55.05512	6.6
57.27336	0.6
57.84493	0.5
60.56265	0.6
65.03950	4.9
66.04716	1.0
67.05509	68.2
69.07075	3.7
71.56341	0.8
75.75677	0.5
77.99944	1.0
79.05499	32.1
80.06255	0.8
81.03423	10.2
81.07061	48.0
86.00699	1.8
87.00464	4.6
91.05487	8.2
94.04192	4.1
94.07813	0.7
95.05014	1.1
99.00194	0.6
107.04960	1.5
107.08611	2.8
109.02898	3.8
109.06523	100.0
109.10161	49.9
110.06050	1.3
113.96397	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	4-Cresol
Peak:m/z	Relative Intensity
53.03944	4.5
55.01870	4.2
55.05502	1.6
58.45092	0.5
65.03931	2.5
66.04710	0.6
67.05507	18.8
69.07057	0.6
69.72648	2.0
69.73055	1.0
74.05885	0.4
79.05494	27.4
81.03420	3.1
81.07060	30.5
86.00698	2.2
86.50624	0.8
87.00494	2.5
91.05482	8.2
94.04184	2.2
107.04984	0.7
109.02861	1.0
109.06520	100.0
109.10155	14.3
110.06059	0.5
110.06842	0.6
113.96423	0.9
118.39202	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.04375	0.6
53.03945	3.3
53.91171	0.5
55.01857	1.0
55.05521	0.5
56.33235	0.6
56.96550	1.0
57.42467	0.5
61.03585	0.5
62.99075	1.5
65.03941	12.4
66.66045	0.6
67.05504	3.6
71.56411	0.8
77.03941	0.8
79.05494	41.8
84.01552	1.0
91.05483	100.0
92.06284	3.8
95.04971	2.0
103.05466	0.6
105.04552	1.4
105.07031	30.0
106.04141	0.9
106.06551	0.6
107.04955	14.6
107.08593	49.5
109.06512	11.4
114.81902	0.5
119.06061	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02361	0.8
53.03949	5.4
53.12729	0.8
65.03946	13.0
67.05505	9.7
70.33981	1.5
70.34374	1.3
79.05497	91.2
80.05830	0.9
84.53115	0.7
91.05484	100.0
92.06268	3.8
95.04956	3.8
105.04531	2.2
105.07035	29.1
107.04961	15.8
107.08601	37.1
109.06529	9.1
116.41876	0.8
119.06069	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	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16752	0.7
53.03947	2.6
55.01863	1.2
56.96563	1.0
62.99073	1.6
65.03944	10.1
67.05501	4.6
71.07205	1.8
73.88094	0.6
79.05497	32.2
84.01563	1.4
91.05486	100.0
92.06277	3.7
95.04974	3.5
105.04549	1.2
105.07037	32.3
106.04210	1.3
107.04964	16.2
107.08603	53.7
109.06518	12.2
116.59506	0.8
119.06082	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02392	0.9
51.86529	0.5
53.03948	5.4
55.01876	0.7
56.96560	0.6
62.56528	0.6
64.47464	0.5
65.03944	13.2
66.01888	0.6
67.05508	8.1
68.76719	0.5
77.03941	1.0
79.05495	80.5
80.09525	0.7
84.01533	0.6
86.19798	0.6
91.05484	100.0
91.51282	0.6
92.06258	4.3
95.04966	5.7
103.05472	0.8
104.68767	0.6
105.04523	2.0
105.07034	30.6
106.04205	0.8
107.04957	17.3
107.08595	35.9
109.06519	9.0
119.06071	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	104.1074
Annotation	Choline
Peak:m/z	Relative Intensity
54.68726	0.2
58.06598	3.6
59.07372	1.1
60.08165	33.6
69.03084	0.3
69.03439	3.2
70.04784	0.9
70.37048	0.2
71.32262	0.2
78.11925	0.2
86.06064	1.9
87.04471	9.6
93.29212	0.2
104.10745	100.0
105.11103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1054.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02921	3.6
74.06087	0.7
77.03951	1.1
79.05492	31.1
81.03420	29.0
81.07059	28.3
83.04982	6.2
83.05396	0.6
83.08614	10.5
85.02904	14.8
85.06550	1.7
87.04482	1.0
91.03965	6.2
91.05481	43.4
92.05819	0.6
93.07042	26.6
95.04969	12.7
95.05543	1.0
95.08611	16.7
97.02893	11.8
97.06538	6.5
97.10168	6.6
98.97665	0.5
99.04476	1.2
99.08102	1.0
101.02415	1.3
103.03955	0.7
103.05460	2.6
105.04549	1.7
105.07034	23.9
106.06619	0.5
107.04963	7.0
107.08598	18.3
109.02921	1.6
109.06524	4.8
109.10158	8.2
111.04497	0.8
111.08088	5.3
113.09669	0.6
115.05460	4.0
116.06261	0.7
117.07015	8.4
117.93158	0.5
119.04943	6.5
119.08578	14.7
121.06504	3.5
121.10133	10.5
123.04427	6.5
123.08066	2.8
123.11743	2.0
125.09631	4.4
127.03916	3.5
128.06219	2.7
129.05505	0.9
129.07016	8.4
129.07898	0.6
131.04979	2.0
131.08583	13.3
131.09517	0.9
133.06511	5.5
133.10136	13.5
134.06026	0.5
135.04413	6.7
135.08099	2.0
135.11684	4.8
136.06119	3.0
137.05980	39.9
137.09641	1.9
141.06992	2.6
142.06682	0.5
142.07828	1.4
143.04922	1.1
143.08525	2.6
145.05063	1.6
145.06541	6.5
145.10132	4.8
147.04430	8.3
147.08038	5.2
147.11682	11.0
147.12756	0.7
149.05981	7.6
149.09624	11.4
149.10715	0.8
149.13347	2.1
151.07555	1.1
151.11298	1.5
153.06989	0.8
154.08693	1.7
155.06131	0.6
155.08638	1.8
157.06485	3.8
157.10118	6.4
159.04489	0.6
159.08076	4.2
159.11691	3.5
161.05981	16.1
161.09692	1.6
161.13310	1.8
163.04013	0.7
163.07547	8.3
163.11136	2.8
164.07066	2.9
165.05559	1.6
165.06998	0.7
165.12830	2.2
167.08586	1.1
169.06525	1.1
169.10196	1.3
171.08084	3.1
171.11777	1.4
173.05992	10.5
173.09732	1.8
173.11797	0.8
173.13298	1.4
175.07553	10.5
175.11162	6.2
175.12517	0.6
176.07104	1.1
177.05612	0.7
177.09225	1.3
177.12805	1.3
179.07077	0.6
179.14365	1.3
181.06487	1.0
181.10088	0.7
183.06725	0.6
183.08015	2.9
183.11774	0.9
184.07475	0.6
185.06038	0.8
185.09706	2.2
185.13277	0.8
186.06725	0.5
187.07550	11.9
187.09140	0.9
187.11346	1.4
189.05545	1.2
189.09203	4.3
189.11096	1.0
190.08708	1.2
191.07140	1.3
193.12250	13.2
195.08110	1.3
195.11708	0.6
195.13878	1.5
197.06006	1.0
197.09624	3.1
197.13512	0.5
199.07544	4.1
199.11388	0.6
201.09151	4.7
202.08833	0.7
203.06981	0.9
203.10822	1.2
209.09659	1.2
211.07689	1.7
211.11382	1.2
211.13261	7.2
213.09116	2.5
213.12808	0.6
215.10652	2.3
217.08800	0.9
217.12216	0.6
221.73351	0.6
225.09253	1.2
225.12863	0.6
227.10779	1.4
227.12755	1.0
229.08719	0.9
235.11243	0.6
237.12784	0.8
239.14334	1.0
241.12360	1.0
255.13890	0.8
257.15393	10.3
257.19159	1.0
260.29025	0.5
267.13898	1.6
269.15271	0.7
269.17807	0.9
275.20108	3.5
283.16989	1.1
284.16653	0.9
285.14838	9.3
293.15674	1.4
297.15091	0.7
301.18271	0.9
302.17520	15.3
303.15759	7.1
311.16537	3.7
314.17496	0.8
323.16525	1.4
326.17719	0.6
327.16098	0.6
328.18930	3.3
329.17477	16.3
333.17020	1.0
341.17682	2.0
344.18741	1.8
346.20139	19.7
347.18530	3.5
349.23911	1.6
356.18701	1.0
358.20450	2.1
359.18826	0.6
367.19067	0.6
367.25174	0.9
370.20425	0.9
374.19901	1.1
376.20975	2.4
385.20294	0.8
385.42877	0.5
388.21097	0.6
402.22952	2.3
403.21487	0.9
410.89355	0.6
412.21378	0.8
420.23856	5.3
438.24756	0.8
448.23508	0.7
454.22778	0.7
483.45749	0.5
498.28796	1.2
516.29852	1.2
546.27637	1.0
568.02209	0.6
572.06299	0.6
572.32611	1.9
592.34784	0.7
600.35779	2.9
614.36981	5.2
616.38770	1.3
618.36871	1.7
632.37811	4.3
684.44659	0.8
694.43298	4.7
712.44171	61.4
713.44849	1.8
716.36786	0.9
722.39685	0.5
730.45209	35.6
731.45569	1.2
734.36462	0.6
752.39050	1.7
754.45667	2.8
758.41089	0.8
762.41046	2.2
772.45087	0.6
776.42139	4.2
778.44745	1.0
790.45483	1.2
794.43335	2.1
808.46552	0.8
820.46082	3.1
838.47272	10.5
839.47614	0.8
846.50610	0.8
856.48242	10.0
874.49408	47.0
875.50177	2.2
892.50513	60.5
893.50653	3.1
914.43884	0.7
916.50214	0.9
924.46204	1.4
938.47113	4.7
942.47455	0.7
956.48718	1.2
982.51776	1.2
1000.53363	2.9
1018.53625	5.4
1036.54810	33.7
1037.55127	1.8
1054.55823	100.0
1055.55908	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	1039.6728
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05494	0.8
80.97417	0.1
81.07054	2.1
83.04981	0.1
83.08610	0.4
86.09704	50.5
87.10047	0.3
91.05472	0.5
93.07050	0.8
95.04939	0.1
95.08044	0.2
95.08607	1.7
96.34509	0.1
97.06503	0.1
97.10162	0.2
98.98464	4.7
102.41837	0.1
104.10741	97.5
105.07034	0.3
105.11040	0.7
107.08595	0.3
109.10163	0.5
112.10721	0.1
114.31657	0.1
116.99490	0.1
119.08609	0.3
121.10165	0.3
123.11713	0.3
125.00002	30.2
133.10141	0.2
135.11711	0.2
139.01540	0.2
142.97400	0.1
143.01065	0.3
147.11681	0.2
149.13268	0.1
161.13232	0.1
163.01561	1.2
166.02654	0.2
181.02682	0.4
184.07336	100.0
185.07614	0.5
194.64638	0.1
198.08885	0.6
199.03592	0.1
240.09915	0.1
258.11053	0.9
304.49429	0.1
337.27301	1.0
443.25833	0.4
496.21570	0.1
502.32932	8.3
503.33441	0.2
519.29541	0.1
520.33966	94.8
521.34216	2.2
534.35522	1.6
539.31348	0.2
539.82117	0.3
540.31476	0.1
574.36737	0.1
623.43909	1.3
980.59839	0.1
1039.67773	7.1
1040.67139	0.3
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
51.02374	1.4
53.03705	1.5
53.03948	20.2
53.07172	1.1
54.55621	0.8
55.01857	0.9
56.96567	35.6
57.03437	1.6
58.50546	4.4
58.96161	3.5
60.04506	1.2
60.08171	1.5
60.25843	0.7
60.95860	1.1
67.51079	6.5
68.01226	2.3
69.03425	1.0
69.55644	4.8
70.01334	1.1
70.51511	1.8
76.51591	3.1
77.03938	5.8
79.01860	7.5
79.52058	5.5
80.01675	1.2
81.03408	2.1
82.01439	0.9
85.02894	1.8
85.77923	0.9
87.04474	2.9
88.02390	2.2
88.52541	2.9
88.75817	0.8
95.04976	18.5
98.21575	1.2
102.04695	4.2
102.96873	0.9
103.04002	2.7
103.05472	100.0
104.05783	0.9
104.10751	3.7
105.04519	7.5
120.19100	0.7
124.72207	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1038.5626
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04425	0.3
73.02803	2.7
77.03856	0.6
78.04578	0.3
79.05376	19.8
79.05889	2.3
81.03300	17.3
81.03829	1.9
81.04090	0.5
81.06937	14.4
81.07465	1.5
83.04865	2.1
83.08497	5.9
83.09048	0.7
83.09249	0.2
85.02782	9.3
85.06424	0.8
86.09611	0.4
88.38412	0.2
89.86587	0.2
91.03831	5.0
91.05354	27.9
91.06254	1.0
93.06916	19.9
95.04842	7.9
95.05492	0.5
95.08477	11.4
95.09151	0.9
97.02766	8.6
97.03436	0.7
97.06404	2.5
97.10140	1.4
99.04313	0.9
99.07997	0.5
101.02252	1.0
103.05328	2.0
105.04398	0.8
105.06895	20.6
107.04812	2.9
107.08458	11.5
107.09253	0.7
109.02758	0.8
109.06381	2.6
109.07183	0.5
109.10016	5.2
111.04341	0.6
111.08071	2.6
115.03806	0.4
115.05453	2.2
116.06133	0.4
117.07014	6.9
117.07773	0.4
119.04935	3.6
119.08578	14.2
119.09343	1.0
121.06358	2.5
121.10139	9.0
121.10930	0.6
123.04421	5.6
123.05204	0.3
123.08064	1.3
123.11561	1.2
125.05843	0.3
125.09476	0.9
127.03871	1.5
127.07438	0.3
128.06239	1.6
129.05429	0.3
129.06996	6.6
130.07625	0.5
131.04916	1.8
131.08560	11.1
133.06491	3.1
133.10124	10.9
134.05920	0.4
135.04395	3.8
135.08046	1.2
135.11684	3.2
136.05159	0.2
136.06198	1.9
137.05972	19.7
137.06926	0.9
137.09567	1.4
141.06944	1.2
142.07784	1.4
143.04816	0.4
143.08553	3.2
145.04819	0.5
145.06470	3.9
145.10121	4.4
146.05881	0.4
147.04398	4.8
147.08037	3.0
147.11678	8.0
149.05977	5.8
149.09613	5.4
149.13245	1.2
151.07405	0.3
151.11041	0.8
152.06917	0.9
153.06870	0.6
154.08492	0.9
155.08412	1.2
156.09160	0.3
157.06485	2.4
157.10129	5.7
158.07059	0.3
159.04292	0.6
159.08058	2.4
159.11691	3.5
160.05066	0.4
161.05980	8.4
161.09457	0.7
161.13251	2.7
162.05371	0.6
163.03755	0.4
163.07523	4.6
163.11111	0.4
163.14693	0.4
164.07048	1.6
165.05330	0.8
165.06810	0.5
165.09013	0.4
165.12604	1.1
167.08455	0.9
169.06322	0.8
169.10143	1.2
170.07129	0.3
171.08023	2.0
171.11707	2.0
172.07388	0.3
173.05983	6.4
173.09467	0.9
173.13272	2.0
174.06645	0.4
175.07549	7.0
175.11172	3.7
175.14642	0.8
176.06927	0.8
177.05342	0.4
177.08934	0.8
177.12563	0.6
179.08412	0.6
181.06462	1.3
181.09978	0.6
183.08040	1.9
183.11534	0.8
184.07214	0.7
185.05960	1.3
185.09538	1.3
185.13260	1.4
187.07526	6.0
187.11058	0.5
187.14711	0.7
188.08305	0.4
189.05304	0.6
189.09119	2.6
189.12587	0.4
190.08539	0.3
191.06908	0.6
193.12231	9.5
195.08017	1.3
195.11761	0.3
195.13788	1.3
197.05804	0.6
197.09537	1.7
197.13109	0.6
198.06660	0.3
198.08830	0.3
199.07520	2.9
199.11002	0.8
199.14706	0.8
201.09103	2.8
202.08473	0.4
203.06949	0.6
203.10487	0.8
207.07970	0.6
209.09419	0.9
211.07382	1.1
211.11029	1.1
211.13136	4.4
213.09135	1.8
213.12579	0.4
215.10544	1.2
217.08473	0.5
221.09464	0.8
221.13089	0.4
223.07422	0.4
223.10995	0.9
225.09163	1.3
225.12624	0.6
227.10530	1.0
227.12515	0.3
229.12140	0.6
231.20949	0.3
233.09497	0.4
233.11604	0.4
235.11034	0.7
237.09090	0.5
237.12575	0.6
239.10442	1.0
239.14174	0.9
241.12225	0.6
241.19302	0.8
242.62079	0.3
243.13606	0.9
249.12563	0.7
251.10542	0.3
251.14243	0.5
253.12122	0.6
257.15341	4.4
259.20563	1.9
263.14169	0.4
265.12079	0.5
265.15671	0.3
267.13583	1.2
267.16049	0.5
271.20380	0.3
273.14682	0.7
279.13498	0.3
281.15143	0.5
283.13354	0.3
283.16806	0.5
285.14786	4.0
287.16446	0.4
289.14145	0.4
293.15277	0.8
297.14719	0.8
299.16360	0.3
300.15826	0.9
301.18015	0.5
302.17480	6.9
303.15866	2.6
307.16806	0.4
308.16608	0.3
311.16479	1.9
313.17932	0.5
315.15784	0.7
316.18967	0.3
323.16415	0.6
326.17337	0.9
327.15720	0.7
328.19116	0.7
329.17459	7.7
333.16919	0.8
333.24265	3.7
339.19333	0.3
341.17368	1.1
344.18579	2.0
346.20126	6.4
347.18369	1.0
349.17871	0.7
351.19434	0.5
358.20117	1.3
359.18439	0.4
367.19241	0.4
370.19833	0.8
374.19370	0.3
376.21075	1.9
381.20306	0.3
383.17871	0.3
385.20056	0.6
388.21320	0.5
388.63989	0.3
394.19778	0.3
400.21143	0.4
402.22690	1.4
403.21368	0.5
408.22070	0.3
412.20886	0.3
418.21976	0.6
420.23764	3.0
421.22955	0.4
438.24722	1.0
448.23236	0.4
454.21973	0.5
472.23105	0.5
495.29425	0.4
516.26007	0.4
528.25433	0.4
543.35071	0.4
581.69293	0.3
582.27887	0.3
587.36737	0.5
604.39813	0.4
678.43195	1.1
679.42371	1.3
696.44641	67.6
697.44788	1.9
714.44843	0.6
738.45819	2.0
764.47583	0.3
774.45801	1.8
786.45752	0.5
804.46600	1.6
822.47827	8.1
823.47906	0.4
840.48761	6.1
858.49896	91.9
859.50085	3.5
876.51172	1.4
900.50885	1.0
936.50165	0.5
966.51776	1.1
984.53015	2.2
1002.54089	3.8
1018.59247	0.3
1020.55231	100.0
1021.55170	4.9
1038.56396	10.8
1039.56738	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.6037
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01357	1.2
71.05001	1.0
71.20684	0.5
71.56672	1.1
73.02919	5.5
77.03972	0.6
79.05497	12.9
81.03423	4.2
81.07056	17.7
83.04991	1.1
83.08620	4.8
85.02428	1.0
85.02907	12.6
85.06567	1.0
91.03965	6.6
91.05480	14.1
93.07046	15.2
95.04973	2.4
95.08604	12.5
97.02893	10.8
97.06519	3.0
97.10176	2.7
99.04468	1.3
99.08083	0.9
101.02398	1.9
105.07032	14.9
107.04961	1.1
107.08592	8.7
109.02884	0.9
109.06536	1.4
109.10150	5.8
111.08096	0.9
115.03941	1.0
115.05442	2.0
116.06239	0.6
117.07019	8.5
119.08590	11.3
121.06495	0.9
121.10148	7.4
123.08105	1.2
123.11758	1.2
125.09607	1.5
127.03918	3.4
128.06230	2.0
129.07005	8.1
130.07680	0.6
131.08571	12.4
131.09529	1.0
133.10132	8.2
135.08096	0.8
135.11700	5.5
137.06001	1.0
141.06969	4.3
142.07793	2.4
143.08563	9.8
145.05006	1.5
145.10120	11.0
147.11681	8.0
149.09598	0.7
149.13280	2.4
151.69781	0.6
153.06976	1.4
154.07794	1.0
155.08583	8.2
156.09325	1.0
157.06453	0.9
157.10133	10.4
159.06741	0.7
159.08049	1.4
159.11679	7.9
161.09708	0.8
161.13217	4.2
163.11124	0.9
163.14810	0.6
167.08560	3.7
168.09344	1.0
169.10138	9.2
170.10927	0.7
171.07961	0.7
171.11670	9.9
171.12962	0.9
173.13281	5.7
175.11206	0.7
175.14861	2.8
179.08525	1.0
181.10144	4.3
182.10922	1.3
183.11694	9.9
185.13274	6.9
187.11237	0.9
187.14790	3.3
189.16483	0.6
193.10225	1.1
194.10924	0.7
195.11691	5.1
196.12428	1.3
197.13286	7.3
199.14851	5.3
201.16356	1.4
204.10089	0.7
205.10168	1.0
207.11739	3.0
209.13342	3.8
211.14807	4.9
213.16364	2.9
215.17928	0.9
217.15817	0.6
219.11780	0.9
221.13332	2.3
223.14804	3.5
225.16425	2.8
227.17958	2.6
233.13239	0.9
235.14883	1.6
237.16441	2.6
239.18039	2.6
241.19624	3.0
249.16347	0.8
251.17949	1.9
253.19707	1.3
259.20551	6.4
263.18097	0.8
265.19653	0.9
283.20532	0.7
295.20474	0.9
305.19119	0.6
309.21902	1.1
321.22162	1.4
323.23520	1.0
325.21649	0.9
333.24228	1.5
337.25201	1.5
339.26999	1.0
349.24844	0.7
351.25336	8.6
353.24722	0.7
379.29767	0.6
379.52209	0.7
381.28027	0.7
385.24261	0.6
387.25912	0.9
403.29013	0.8
415.27945	0.6
423.32159	0.7
429.30643	0.7
443.31653	0.8
447.33072	1.0
486.71921	1.1
495.23306	2.1
495.29858	1.2
507.20340	0.7
517.40332	4.8
535.41193	3.1
591.44482	5.1
609.45203	12.8
613.41168	0.8
619.41742	1.0
627.45825	1.7
665.47955	1.8
683.48889	14.4
699.47723	1.7
701.49841	100.0
702.50342	2.4
713.49908	1.7
717.48462	0.8
725.49939	1.3
735.48273	0.8
743.25702	0.6
743.51086	0.8
753.49554	1.2
767.51361	0.9
771.49542	1.5
791.51099	1.2
809.51544	2.0
827.53320	3.5
829.20569	0.7
845.53876	7.6
863.55090	33.8
864.54755	1.0
945.54004	1.3
959.29596	0.7
963.54407	1.2
971.53107	0.8
989.56104	2.3
1007.57996	4.8
1025.60059	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	1023.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01360	0.5
71.04996	0.3
73.02918	2.0
79.05492	3.2
80.43475	0.2
81.03409	2.2
81.07056	3.5
83.04987	0.5
83.08631	0.8
85.02896	3.9
85.06539	0.2
86.09707	0.4
87.04509	0.2
91.03955	2.0
91.05476	3.0
92.75284	0.2
93.07050	2.7
95.04993	0.6
95.08614	1.6
97.02890	3.8
97.06532	0.5
97.10181	0.4
98.21468	0.4
99.04469	0.5
101.02377	1.2
105.07024	1.8
107.04932	0.4
107.08592	1.4
109.02870	0.7
109.06525	0.2
109.10143	1.0
115.03928	0.4
117.07044	0.8
119.07835	0.3
119.08567	1.5
120.89025	0.3
120.97680	0.2
121.06534	0.2
121.10162	0.8
123.04474	0.4
125.09658	0.5
127.03911	1.0
129.06992	0.5
131.08536	1.2
133.06512	0.3
133.10150	0.9
135.11745	0.5
136.06148	0.6
137.05952	1.2
141.38228	0.2
145.06491	0.2
145.10129	0.5
147.04446	0.3
147.08040	0.2
147.11705	0.5
149.06068	0.3
149.09654	0.3
159.08034	0.3
159.11726	0.5
161.06020	0.5
175.11203	0.4
184.07352	0.4
185.04184	0.5
193.12289	0.4
201.03726	0.5
201.09097	0.2
203.05354	0.6
241.06871	0.3
243.08420	2.1
259.08112	0.2
275.20264	0.2
283.36182	0.2
286.27133	0.2
326.17410	0.2
329.17346	0.3
333.20349	2.3
335.25790	0.3
347.09424	2.4
363.09158	0.7
365.10770	0.7
389.23007	0.7
405.13666	5.8
413.17877	0.4
439.13760	0.3
439.19687	0.8
453.20941	1.3
463.14114	0.4
472.27631	0.2
475.14423	0.3
477.16049	0.2
547.23083	0.3
551.28320	7.5
601.24927	0.7
615.26367	0.8
698.45905	1.4
699.46411	2.2
713.33490	7.0
723.39508	0.2
785.35437	0.5
860.51324	0.6
861.51306	3.6
987.56085	0.4
1005.53772	0.3
1023.55035	100.0
1024.54822	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	1022.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01277	0.5
71.04889	1.3
71.05245	0.5
71.56201	0.5
73.02804	3.1
73.03255	0.7
77.03841	0.7
79.05379	19.7
79.05890	2.4
81.03304	18.6
81.03836	2.1
81.06941	22.7
81.07473	2.6
83.04871	2.6
83.08504	6.6
84.20161	0.4
85.02788	10.6
85.06413	1.2
86.09624	0.8
87.04361	0.7
91.03832	5.0
91.05358	26.1
93.06921	20.5
93.07569	1.7
95.04848	8.5
95.05494	0.6
95.08482	16.5
95.09149	1.4
95.33846	0.4
97.02769	9.5
97.03435	0.7
97.06403	3.1
97.10043	1.9
99.04342	1.2
99.08010	0.6
101.02261	1.1
103.05336	1.7
103.05934	0.4
105.04410	1.0
105.06900	12.8
107.04946	3.6
107.08460	11.5
107.09239	0.8
109.02765	0.9
109.06385	2.4
109.10023	7.0
111.04305	0.5
111.07949	2.5
115.03828	0.5
115.05308	1.5
117.07014	5.0
119.04945	4.4
119.05749	0.6
119.08579	10.0
121.06364	2.1
121.10144	10.3
121.10944	0.6
123.04434	5.8
123.07942	1.8
123.11565	1.7
125.09534	0.9
127.03899	1.7
128.06067	1.3
129.07008	5.4
131.04936	1.9
131.08572	9.6
133.06502	4.1
133.10118	6.7
135.04402	3.8
135.07901	1.2
135.11691	3.7
137.05977	26.7
137.06924	1.2
137.09456	1.1
141.06873	1.4
142.07614	1.0
143.04791	0.6
143.08412	1.1
144.05579	0.6
145.04842	1.0
145.06502	3.7
145.10133	2.6
147.04416	5.9
147.08054	2.7
147.11696	6.0
149.05975	4.9
149.09616	7.2
149.13115	1.7
151.07321	0.5
151.11069	0.5
153.06827	0.5
154.08536	0.9
155.08473	0.8
157.06497	2.8
157.10136	4.6
159.04323	0.6
159.08047	2.9
159.11542	1.6
160.07469	0.5
161.05986	10.0
161.09474	1.1
161.13150	1.2
163.07547	5.0
163.14774	0.5
164.07028	0.6
165.05348	1.0
165.06711	0.4
165.08923	0.6
165.12619	1.1
167.08440	0.6
169.06360	1.3
169.10039	0.6
171.08064	2.4
171.11551	0.7
173.05995	5.9
173.09464	1.6
173.13135	1.0
174.09033	0.5
175.07549	7.7
175.11160	4.1
176.06924	0.5
177.08983	1.4
177.12605	0.4
177.16370	0.4
179.06982	0.5
179.08470	0.6
181.06378	0.7
183.08026	2.0
183.11604	0.5
184.07367	2.3
185.05777	1.2
185.09602	1.7
187.07547	7.1
187.11034	0.5
187.14713	0.7
189.05386	0.9
189.09093	3.7
191.06918	0.9
193.08488	0.4
193.10431	0.7
193.12231	10.0
195.07967	0.7
195.13600	1.6
197.05789	0.5
197.09647	1.8
199.07533	2.7
199.11078	0.8
201.09145	2.6
203.06952	0.9
205.08514	0.5
209.09454	1.1
209.46436	0.4
211.07413	0.8
211.11098	1.1
211.13199	5.1
213.08937	1.7
213.12654	0.6
217.08342	0.6
223.11130	0.8
225.09036	0.8
227.10532	0.7
229.08421	0.4
229.12215	0.8
231.13564	0.4
237.12695	0.4
239.10538	0.6
239.14214	0.8
241.12030	0.7
243.13727	0.7
245.11548	0.4
250.14159	0.5
251.14320	0.7
253.12129	0.6
257.15390	6.3
261.22156	0.5
263.14075	0.5
267.13641	1.0
267.16046	0.6
269.15262	0.4
273.14709	0.8
275.14224	0.6
279.13754	0.5
285.14822	5.6
287.16318	0.4
289.14456	0.6
293.15253	0.8
295.16714	0.5
301.17892	1.1
302.14273	0.5
302.17517	6.5
303.15866	5.4
311.16418	2.6
313.17892	0.5
319.16983	0.4
323.16269	0.8
328.19000	1.1
329.17477	9.2
333.16873	0.7
335.25769	8.5
339.19516	0.5
341.17630	1.8
346.16129	0.6
346.20129	9.3
347.18417	1.4
353.17551	0.6
358.19980	1.1
359.18552	0.7
365.20676	0.5
370.20050	1.0
376.21106	1.5
385.19855	0.9
388.21097	0.7
402.22516	1.4
403.20999	1.1
420.23792	3.6
438.24844	1.0
472.23914	0.5
516.25800	0.4
539.08881	0.4
540.67993	0.4
545.36566	0.5
546.26910	0.9
631.50861	0.4
640.46533	0.4
680.44672	1.3
681.43231	0.7
698.46240	85.8
699.46393	2.2
740.47455	2.6
776.47333	1.8
788.47015	1.0
806.48425	2.5
824.49451	10.4
825.49329	0.7
842.50507	8.1
860.51501	100.0
861.51727	2.9
902.52930	0.7
938.51208	0.7
968.53442	0.8
986.54590	2.8
1004.55731	4.8
1005.56415	0.5
1022.56781	92.5
1023.56464	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	1020.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01312	0.6
71.04916	0.9
73.02814	2.7
77.03848	0.8
79.05386	17.5
79.05894	1.9
81.03310	19.6
81.03845	2.1
81.06952	15.2
81.07461	1.4
83.04876	2.7
83.08508	6.1
85.02794	9.9
85.06487	1.0
91.03847	5.1
91.05367	28.9
93.06931	19.1
93.07552	1.3
95.04850	7.9
95.08490	11.3
95.29867	0.5
97.02779	10.1
97.03448	0.8
97.06519	3.1
97.10075	1.7
99.04366	1.0
99.08000	0.5
100.22863	0.5
101.02261	1.3
103.05362	1.8
104.73644	0.5
105.04433	1.1
105.07028	19.7
105.07671	1.3
107.04958	3.5
107.08467	10.1
109.02766	1.0
109.06397	1.9
109.10159	4.4
109.42464	0.5
111.04394	0.6
111.08043	2.7
113.05978	0.6
114.23843	0.5
115.03837	1.0
115.05446	2.2
117.07019	6.4
117.07777	0.5
118.10892	0.5
119.04931	3.8
119.08578	15.0
119.09348	0.8
121.06371	3.0
121.10149	9.5
121.10928	0.6
123.04430	5.4
123.07933	1.9
123.11589	1.4
125.09490	1.3
127.03756	1.4
128.06084	1.7
129.07010	6.0
131.04787	1.8
131.08569	10.1
132.09090	0.5
133.06470	3.4
133.10136	11.2
134.05936	0.7
135.04402	3.9
135.07925	1.4
135.11691	3.0
136.06068	1.4
137.05978	22.4
137.06938	0.9
137.09515	0.9
141.06900	1.1
142.07593	1.5
143.08582	2.3
145.04823	0.7
145.06503	3.2
145.10118	6.0
147.04417	4.7
147.08032	2.6
147.11679	8.3
149.05988	5.8
149.09605	6.2
149.13138	1.9
151.11099	0.6
153.07007	0.6
153.82368	0.5
154.08553	0.8
155.08400	1.8
157.06377	2.1
157.10133	5.4
159.04353	0.6
159.08084	2.4
159.11697	4.2
161.05991	8.4
161.09491	1.3
161.13129	2.0
163.06192	0.7
163.07500	4.6
163.10982	0.5
163.14688	0.6
164.06927	1.5
165.05321	0.8
165.06790	0.8
165.12694	0.7
169.06380	1.0
169.09988	1.0
171.08041	2.6
171.11543	1.7
173.06018	5.9
173.09454	1.1
173.13139	1.7
174.06699	0.8
175.07559	5.4
175.11186	3.9
175.14513	0.8
176.06908	1.5
176.10414	0.5
177.05380	0.6
177.09021	1.0
179.08429	0.9
181.06241	0.6
181.10100	0.6
182.07216	0.7
183.07947	2.0
183.11548	0.9
185.05882	1.4
185.09465	1.5
185.13116	1.2
187.07535	7.4
187.14693	0.7
189.05322	0.7
189.09094	2.8
191.06903	1.0
193.12233	8.8
195.07887	1.5
195.13730	1.0
197.05940	0.7
197.09485	2.0
199.07651	3.1
199.14796	1.1
201.09071	2.8
202.12291	0.5
203.07082	0.5
203.10492	0.7
204.10045	1.4
207.07928	1.0
209.09494	0.7
209.13142	0.6
211.07414	1.4
211.11086	1.4
211.13168	4.1
213.08946	1.9
215.10513	1.5
217.08534	1.0
217.11981	0.5
223.11024	1.0
225.09093	1.0
227.10504	1.6
229.12068	0.5
231.09952	0.5
237.08896	0.7
239.10545	1.1
239.14198	0.5
241.12111	0.8
241.19441	0.8
243.13788	0.7
247.11043	0.5
249.12640	0.8
250.48062	0.5
257.15417	4.3
259.20578	2.5
265.12421	0.5
265.15759	0.6
267.13568	1.2
269.15182	0.8
275.14169	0.6
285.14783	4.7
293.15399	0.5
297.14963	0.9
299.16034	0.6
300.15845	0.7
300.19363	0.5
301.17941	0.8
302.17511	5.7
303.15811	3.4
311.16370	2.7
323.16537	0.7
328.19006	0.8
329.17496	7.1
333.16959	0.7
333.24213	3.6
339.19272	0.8
341.17389	1.1
344.18463	1.6
346.20126	5.8
347.18494	0.8
358.20111	1.1
370.19983	0.7
376.21075	1.5
385.19910	0.7
402.22501	1.4
412.20639	0.7
420.23682	3.4
438.24353	0.6
496.30347	0.7
582.28992	0.7
678.43536	0.9
679.42035	1.8
693.23419	0.6
696.44678	76.7
697.44800	3.3
738.45844	2.5
762.46381	0.6
774.45612	2.7
776.43872	0.5
796.47321	0.7
804.47217	2.6
822.47876	9.0
840.49005	7.6
841.49182	0.8
858.49939	100.0
859.50513	4.7
900.50537	1.1
936.51276	0.8
958.52472	0.5
966.51941	1.4
984.53235	3.1
1002.54663	6.8
1020.55273	89.4
1021.55188	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	1018.595
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01365	1.8
71.05003	7.5
71.08639	1.5
71.56521	2.2
73.02911	4.5
77.03893	1.9
79.05493	94.5
81.03424	23.2
81.07056	99.7
83.04979	14.1
83.08153	2.0
83.08620	26.7
85.02898	15.1
85.06538	5.2
86.09671	1.6
86.58253	1.2
91.03940	4.5
91.05481	85.1
93.07043	87.1
94.03243	1.1
95.04965	19.7
95.08604	55.4
97.02884	15.3
97.06534	28.5
97.10171	30.3
99.04440	4.1
99.08086	5.4
101.09666	1.3
103.05480	4.2
105.04500	2.7
105.06310	1.9
105.07028	71.7
107.04954	22.1
107.08592	74.4
109.02881	5.4
109.06537	9.7
109.10153	31.4
111.04455	2.0
111.08068	9.4
113.05981	1.4
113.09657	2.9
115.05458	4.1
117.07018	34.0
119.04944	1.0
119.08583	56.3
121.06514	9.1
121.10144	28.5
123.04471	1.7
123.08056	8.5
123.11700	7.3
125.04459	1.1
125.09633	29.1
127.03919	7.9
128.06209	4.0
129.07011	14.0
130.07794	3.6
131.08568	39.9
133.06459	3.3
133.10132	43.5
135.08070	9.5
135.11703	24.1
137.06000	3.4
137.09601	5.4
137.13120	1.3
139.07622	1.4
139.11194	1.8
141.06976	7.1
142.07793	3.5
143.08553	14.0
144.09340	1.7
145.04984	2.3
145.06485	4.2
145.10126	39.3
145.11292	2.0
146.47304	1.2
147.08055	4.3
147.11688	26.5
149.09619	31.9
149.13261	15.8
151.11169	5.0
153.09102	3.8
154.07776	2.1
155.08557	8.7
155.10646	1.6
157.10126	13.7
159.08057	3.1
159.10426	2.4
159.11687	26.4
161.09625	5.8
161.13237	11.4
163.11200	17.2
165.09169	2.5
165.12767	2.1
167.08588	2.3
169.10133	7.7
171.10139	3.4
171.11703	13.1
173.04436	4.2
173.09579	2.7
173.11736	3.5
173.13263	13.0
175.11200	4.6
175.14845	3.0
177.11450	1.5
177.12741	8.5
179.08534	1.4
179.10585	1.5
179.14284	6.7
181.10071	3.8
181.12274	1.7
183.11673	9.2
184.07361	2.4
185.13263	6.5
187.11145	5.8
187.14816	4.6
189.11243	16.9
189.12805	3.0
189.16467	1.4
191.14420	1.3
195.11772	3.8
195.13805	6.2
197.13280	7.0
198.30484	1.3
199.11108	1.4
199.14825	2.9
201.12698	2.1
205.10089	1.3
205.12135	1.9
207.13841	1.5
209.13225	3.1
211.14836	2.6
213.16461	2.0
215.17931	1.7
217.15852	1.7
219.13890	1.4
223.14977	1.8
227.10512	2.6
227.12772	48.9
227.17812	1.7
229.14268	8.8
229.19533	5.2
233.15419	1.6
239.17950	8.6
241.19539	1.4
243.04428	1.3
245.13918	4.5
247.15128	1.3
247.20572	3.7
251.16403	1.8
253.17975	3.1
255.15828	11.7
257.19043	21.3
259.20541	2.6
267.15942	4.7
269.17456	34.6
273.18509	2.9
275.20059	100.0
283.20404	1.4
287.20029	2.3
291.19659	1.7
293.21231	8.6
299.23434	1.5
301.21710	1.8
303.16040	1.4
313.21692	2.7
321.24213	2.9
331.22794	6.8
333.24240	1.2
339.18341	1.8
347.22174	1.8
349.23746	96.9
353.24625	1.6
363.26816	1.6
365.23398	1.7
367.24829	6.7
389.17892	3.0
389.22433	1.4
395.20779	1.5
397.22388	2.6
409.25763	1.8
413.21808	2.8
419.24347	1.6
419.29590	1.6
423.27310	5.4
423.32706	1.8
425.25839	1.4
429.35571	1.4
431.27768	4.3
433.30463	1.9
439.26764	3.9
445.29501	4.7
447.31564	1.8
449.29059	15.1
451.31876	2.7
463.30603	18.2
469.33051	3.7
485.32361	1.9
493.27176	1.8
501.31439	1.4
503.33685	11.7
511.34149	3.9
513.36676	2.5
518.24377	1.9
519.33246	11.9
525.35809	9.7
527.37189	4.8
529.35309	21.5
531.37885	2.2
543.36847	94.7
547.36157	3.2
561.37830	9.9
565.30322	1.6
593.32593	1.8
595.43341	2.0
605.41943	4.5
607.34149	3.9
623.43048	64.7
641.44055	23.1
651.38708	1.8
659.45081	2.0
669.40375	1.9
676.47583	2.2
687.40887	6.9
705.41431	5.7
785.48743	3.1
838.52087	4.5
1000.58344	3.6
1018.55548	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5939
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04974	6.9
71.08622	2.9
71.56950	2.7
73.02899	5.1
77.03925	3.7
79.05492	93.6
81.03422	29.0
81.07056	100.0
83.04992	14.5
83.08620	30.6
85.02903	20.5
85.06526	6.9
85.10210	2.0
86.09685	2.6
87.04451	2.1
91.03936	6.3
91.05477	86.8
93.07042	81.0
93.07637	2.8
93.07949	2.0
95.04974	17.5
95.08606	52.4
97.02893	15.5
97.06526	28.8
97.10165	32.6
99.04452	3.0
99.08086	2.7
103.05462	2.4
105.07027	74.2
107.04945	21.5
107.07868	3.7
107.08590	75.5
109.02867	5.2
109.06529	11.1
109.10148	24.6
111.04415	3.3
111.08078	9.7
113.09650	3.4
115.05442	5.9
115.07542	2.1
116.06220	1.7
117.07006	33.5
119.04925	4.5
119.08578	54.1
121.06501	6.8
121.10142	25.0
123.04401	2.7
123.08047	7.7
123.11681	4.1
125.09625	28.0
127.03961	9.5
128.06221	4.7
129.07002	19.2
130.07814	2.9
131.08565	42.7
133.06464	5.0
133.10133	40.3
134.64230	1.9
135.04437	1.7
135.08080	9.6
135.11678	21.1
137.05040	1.6
137.05989	18.4
137.09587	5.9
139.11154	2.5
141.06943	5.3
142.07806	4.6
143.08549	16.7
144.09309	2.0
145.04939	3.3
145.06471	5.2
145.10126	37.4
147.04375	2.8
147.08003	5.7
147.11685	22.4
149.05962	3.8
149.09615	29.5
149.13239	8.9
151.11205	5.6
153.09084	4.9
155.08510	7.5
156.09172	1.7
157.06508	3.5
157.10150	11.4
159.08047	4.2
159.10439	2.4
159.11691	24.9
161.05972	4.7
161.09583	4.8
161.13240	12.9
163.06076	1.8
163.07495	2.3
163.11180	19.0
165.05576	1.9
165.06908	2.0
165.09172	2.4
165.12805	4.8
167.08548	3.3
169.10162	9.2
171.08026	2.2
171.10246	3.2
171.11691	12.9
173.04446	5.3
173.05997	5.2
173.09622	2.3
173.11809	4.0
173.13251	11.8
175.07526	4.9
175.11189	4.6
175.14833	4.2
177.12714	6.4
179.14275	6.8
181.10191	3.0
183.11632	8.6
185.13271	7.3
187.07565	2.7
187.11189	4.0
187.14880	2.1
189.11217	16.0
189.12709	2.8
193.10449	1.7
193.12250	6.6
195.11649	4.1
195.13789	4.4
197.09625	2.0
197.13257	6.3
199.07515	1.8
199.14766	2.9
201.12808	2.9
207.11717	3.1
209.13301	2.3
211.13097	3.3
211.14966	2.5
213.16304	2.0
215.14191	2.0
223.14830	2.0
227.10562	2.7
227.12766	44.1
229.14304	7.8
229.19490	5.8
237.16415	2.3
239.17967	7.5
241.10812	1.9
245.13693	4.4
247.20613	5.1
253.17973	4.3
255.15736	8.4
257.19025	18.7
259.20462	3.0
267.15866	2.5
269.17453	21.2
273.18427	2.8
275.20056	92.9
285.14734	3.4
291.19559	5.1
293.21021	8.7
302.17438	6.4
303.15866	3.6
313.21518	3.0
313.27252	6.0
329.17499	4.6
331.22559	6.0
333.24359	4.0
341.17358	2.4
346.20148	5.6
349.23730	94.8
367.24802	5.1
389.18164	1.9
395.94305	2.1
397.22125	3.1
410.13531	1.6
420.24042	4.1
423.27487	2.5
433.30774	2.6
439.26736	3.1
445.29230	2.3
447.30878	2.4
449.28970	4.1
463.30402	5.5
503.33945	10.5
511.34256	3.3
519.32941	10.0
525.35516	6.7
527.37067	7.2
529.35333	19.7
531.38098	2.2
543.28424	3.2
543.36761	67.4
559.36090	2.6
561.37756	6.0
583.40063	2.0
595.43817	2.3
605.41711	4.1
623.33350	3.1
623.43005	58.6
624.42834	2.3
632.45050	4.6
641.44220	23.5
676.47882	27.7
687.40735	4.2
694.47943	2.1
705.40912	2.8
767.46509	2.3
785.48419	3.4
802.50433	4.4
838.53113	41.2
856.53381	4.1
1000.58313	39.8
1018.59235	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	1007.5944
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01345	3.7
71.04995	8.8
71.08624	1.3
73.02918	22.4
75.04468	4.2
77.03936	3.1
79.05493	78.8
81.03417	21.9
81.07058	79.9
82.07389	1.5
83.04963	9.9
83.08621	17.9
85.02904	53.6
85.06551	5.2
87.04478	2.9
91.03952	23.1
91.05480	92.5
91.60336	1.3
92.05814	1.9
93.07043	94.3
95.04974	12.5
95.07976	2.1
95.08606	79.5
97.02889	56.5
97.06519	11.9
97.10163	8.5
98.20965	5.8
99.04475	8.4
99.08080	5.2
101.02372	9.6
103.03934	9.9
103.05434	5.1
105.04498	5.5
105.07030	90.8
107.04958	4.5
107.08599	62.9
109.02868	8.5
109.06503	5.3
109.10157	28.0
111.04466	2.3
111.08078	5.6
113.05990	1.5
115.03932	4.6
115.05428	8.3
117.06220	2.5
117.07025	42.4
119.04945	1.7
119.08579	75.7
121.06498	3.9
121.10146	43.3
123.08071	3.2
123.11693	5.9
125.09622	6.1
127.03928	16.8
128.06207	12.9
129.05544	8.1
129.07007	36.5
130.07756	4.0
131.07095	2.4
131.08571	58.7
133.06502	2.1
133.10132	55.3
135.08060	4.9
135.11694	32.1
137.05954	4.5
137.09599	4.1
137.13240	2.3
141.06998	13.7
142.07797	9.5
143.07494	3.1
143.08569	41.6
144.09344	2.4
145.04974	8.1
145.06473	3.1
145.10123	53.8
146.09473	1.3
147.06757	4.3
147.07994	2.3
147.11685	40.9
148.07449	1.7
149.05986	1.7
149.09647	6.6
149.13245	20.5
151.11130	1.7
153.07005	3.8
154.07758	2.7
155.08562	27.4
156.09331	6.0
157.10139	42.7
158.10956	1.7
159.06534	1.7
159.08032	2.6
159.10448	3.0
159.11703	44.3
161.09595	2.2
161.13268	22.1
163.06078	3.2
163.11234	5.8
163.14853	7.6
164.07066	1.5
165.07028	3.4
165.12737	2.1
166.07701	2.6
167.08591	12.0
168.09315	2.7
169.10130	28.7
171.08028	2.4
171.10243	2.9
171.11690	39.3
172.12404	2.2
173.09610	2.5
173.13255	29.9
174.09116	3.5
175.09862	3.8
175.11292	1.8
175.14838	13.3
176.07027	4.0
176.10701	8.0
177.07820	3.4
177.11191	3.0
177.12715	3.1
177.16342	2.1
179.08530	4.3
181.10155	15.9
182.10814	1.5
183.06561	2.2
183.08051	2.4
183.11693	30.8
183.13234	2.7
185.09669	3.4
185.13271	26.5
187.07610	2.0
187.11189	2.2
187.14815	12.8
189.12753	3.1
189.16443	4.5
191.14209	2.7
192.09261	1.7
193.10172	5.2
194.10875	1.7
195.11725	14.8
196.12358	2.1
197.09645	1.9
197.13280	21.4
199.14830	19.0
201.07587	5.3
201.16325	6.7
202.12340	2.6
203.12584	1.6
203.14351	3.0
203.18007	2.7
204.10219	10.8
205.10812	7.4
205.15891	2.0
206.11235	1.7
207.11734	7.5
209.13264	13.1
211.14801	15.5
213.16441	10.2
215.17949	3.4
217.15970	2.6
219.11646	1.8
221.13255	5.5
223.14841	11.9
225.12819	1.7
225.16422	8.4
227.18034	8.0
229.19592	2.0
231.17343	1.7
231.21053	3.4
233.13329	2.7
235.14749	5.4
235.16873	2.3
237.16454	8.0
239.17992	6.7
241.19566	20.3
243.17351	1.7
245.18933	1.6
247.14893	3.0
249.16304	1.9
251.17989	4.7
253.19664	2.6
257.19006	4.6
259.20590	41.2
261.16333	2.6
263.17929	3.6
265.19714	3.2
267.21039	3.3
269.18939	2.4
273.13293	1.7
273.22141	2.3
275.20190	3.0
277.21701	8.1
281.22565	1.7
281.94186	1.7
283.20569	3.9
285.22095	2.6
289.21762	2.5
295.20505	3.4
297.22113	3.4
299.20020	1.5
299.23697	1.8
301.21841	2.5
301.25296	1.8
311.19952	2.3
313.21625	1.9
313.25262	3.3
315.23203	3.7
321.22058	2.0
323.23697	2.5
325.21588	2.2
331.22665	2.3
333.24286	33.3
337.25165	4.2
339.23041	3.9
339.26755	2.2
341.20041	1.6
347.23706	2.1
349.24350	4.9
351.25366	30.1
357.24020	1.5
358.27902	1.5
363.26340	3.2
365.28409	2.8
367.22540	2.9
369.27942	2.0
370.23740	6.6
371.24158	4.5
373.22769	1.5
375.25888	3.6
379.30310	1.6
381.22202	1.4
385.23502	2.4
391.29840	3.4
398.23169	9.0
399.23679	7.7
405.30176	2.0
413.30685	2.4
415.29285	1.8
416.24164	5.1
417.25012	4.1
417.30417	2.0
421.31067	2.1
425.30603	2.3
431.32126	2.6
441.26404	6.3
447.32541	5.7
459.27417	4.9
472.26825	3.8
473.27249	2.7
477.28220	4.3
483.34348	1.9
490.27844	5.5
491.28021	3.6
495.29425	13.5
499.39523	2.4
515.38794	2.9
517.40570	18.2
521.36169	2.2
535.41718	8.3
539.37024	2.0
545.38690	2.4
557.37634	2.1
573.43134	2.2
575.38940	2.6
589.42493	1.8
591.35504	2.1
591.44141	24.5
607.41760	2.2
609.36060	2.5
609.45062	24.9
613.41058	2.4
627.46021	8.6
643.43073	1.9
665.47827	9.5
670.38971	1.5
683.48798	100.0
685.40930	2.8
696.40515	1.7
699.46497	1.9
701.49878	3.0
707.48834	2.4
717.47394	2.6
725.49554	2.6
735.48248	3.7
753.49139	9.2
764.46985	4.0
765.47662	16.0
767.50903	2.0
771.50031	3.8
773.49994	3.3
782.47211	2.6
783.48761	7.7
791.51263	6.7
809.51343	14.0
827.52545	26.7
845.54144	55.9
927.53235	13.5
945.36542	2.4
945.53882	34.5
971.55750	9.2
989.56592	51.8
1007.57709	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	1006.5735
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01007	1.6
70.01398	2.0
70.06583	0.7
71.01365	1.4
71.05000	2.1
73.02914	4.3
79.05499	15.9
80.05045	0.9
81.03417	8.3
81.07054	16.1
82.07373	0.6
83.04528	0.7
83.04983	3.5
83.08622	3.1
85.02906	7.3
85.06557	0.9
91.03967	3.8
91.05483	13.7
93.07039	13.2
95.04967	4.4
95.08598	8.0
97.02885	7.1
97.06524	7.8
97.10153	3.7
99.04500	0.8
101.02427	0.9
103.05460	1.2
105.04542	0.7
105.07028	9.7
107.04971	1.7
107.08595	7.5
108.08122	0.7
109.02882	1.3
109.06519	1.0
109.10146	4.5
111.08112	1.4
115.05451	1.6
117.07004	4.8
118.06570	2.8
119.04973	1.1
119.08586	6.2
120.08134	0.8
121.06526	2.2
121.10153	4.9
123.04527	1.0
123.08119	1.1
123.11756	0.8
125.09653	2.7
127.03931	2.2
128.06242	1.4
129.07047	2.8
130.06564	1.0
131.07637	0.9
131.08556	5.7
132.08133	0.8
133.06529	1.6
133.10150	4.5
134.06050	1.5
135.08083	1.9
135.11711	2.2
137.05984	3.8
137.09639	1.3
141.07019	1.7
143.07367	1.0
143.08568	1.9
145.05110	1.0
145.06511	1.6
145.10152	2.9
146.06033	5.4
146.07051	0.7
146.09663	2.0
147.04449	1.3
147.06802	13.7
147.07938	1.1
147.10524	1.2
147.11746	2.2
148.05241	0.9
148.07576	2.2
149.06026	1.7
149.09647	2.1
149.13269	1.2
157.06525	1.3
157.10120	1.3
158.09660	1.6
159.08034	1.2
159.10478	0.8
159.11714	2.3
160.07649	0.8
161.05986	2.0
161.08391	1.8
161.13313	0.7
162.05533	2.2
163.06343	1.0
163.07553	1.2
163.11191	1.3
164.07053	3.5
169.10126	0.8
171.08089	1.6
171.11710	1.4
173.06017	1.0
173.08324	1.0
173.09677	1.0
174.09146	8.1
175.06284	2.2
175.07584	1.8
175.09918	13.6
176.07080	9.8
176.08249	0.9
176.10710	13.7
177.07845	8.4
177.09116	0.9
178.47426	0.8
183.08064	0.9
184.07484	1.6
185.09711	0.9
186.09186	1.8
187.07594	2.4
188.07094	1.6
188.10747	3.2
189.07732	1.4
189.09241	1.9
189.11374	2.0
190.08646	6.1
193.12320	1.5
198.09193	0.8
199.07565	0.8
200.10707	1.3
201.09218	1.4
202.08705	2.9
202.12248	4.1
203.09351	0.9
204.10199	22.1
204.12042	1.2
205.10979	8.2
206.11768	3.9
213.09337	1.2
214.08737	2.0
214.12277	1.4
215.10960	1.0
216.10295	2.4
216.13756	1.1
218.11812	1.2
227.12982	1.5
228.10355	1.0
228.13937	0.8
229.11131	1.8
230.11879	1.7
241.10725	0.9
242.11838	1.8
244.13251	1.6
253.18156	1.1
260.12762	1.3
269.17661	1.9
272.16467	1.0
273.13660	2.7
275.20242	1.7
286.14517	1.6
300.15955	0.7
326.17838	0.9
326.21118	3.6
328.19220	1.5
341.20038	2.9
342.24268	1.6
349.23825	1.2
352.22723	1.2
354.20850	3.1
368.22577	1.1
369.19540	1.7
370.19312	1.4
370.23822	25.3
371.24594	1.0
372.21951	3.0
380.22427	1.9
382.20096	0.7
387.20596	1.0
396.21683	4.3
398.23282	37.1
399.23849	1.6
400.21255	1.0
414.22968	1.8
415.23276	1.5
416.24368	16.3
428.24643	2.3
442.26077	1.9
443.22983	1.1
446.26019	0.8
454.25665	4.0
470.25864	0.8
472.26999	11.5
488.26944	2.3
489.27112	3.7
490.28009	17.9
516.30188	1.0
560.29022	0.9
592.34686	0.7
612.38379	0.8
614.36841	2.1
642.36597	2.9
666.40222	3.0
667.41095	2.0
668.41833	2.1
670.39935	2.8
683.40448	1.1
684.40588	6.3
686.39679	1.1
695.40051	6.5
714.41901	0.9
717.42902	0.8
720.45001	1.0
728.43365	1.7
736.48450	1.2
746.46460	2.7
764.47369	39.3
765.48126	1.5
782.48303	22.2
790.48889	1.2
804.42114	1.4
808.50055	13.6
826.50909	17.9
828.46204	1.5
844.52081	1.0
846.46454	1.2
848.44208	0.9
857.45691	2.2
872.48169	0.9
890.48505	1.8
908.50983	1.9
926.52692	31.2
927.53229	1.3
944.53619	63.7
945.54266	3.0
952.54266	2.5
962.53986	1.8
970.55249	20.8
988.56232	100.0
989.56433	4.2
1006.57318	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	1002.6001
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42467	3.1
69.42881	5.3
71.05000	6.7
71.08627	1.4
73.02899	3.4
77.03939	2.0
79.05491	80.4
81.03416	13.6
81.07056	94.5
83.04969	11.7
83.08617	23.1
85.02909	14.3
85.06520	6.0
91.03940	4.2
91.05479	100.0
93.07043	90.6
95.04961	13.6
95.08606	63.3
97.02885	11.5
97.06523	15.7
97.10168	14.4
99.04465	2.8
99.08097	4.7
103.05460	5.0
105.04516	3.0
105.07031	85.6
107.04967	9.6
107.08597	55.0
109.02869	3.3
109.06532	8.7
109.10151	26.9
111.08082	6.6
113.09609	2.0
115.05428	7.1
116.06219	2.1
117.06223	2.1
117.07020	37.1
119.04920	1.6
119.08580	68.1
121.06500	6.0
121.10143	34.8
123.08056	6.3
123.11695	11.5
125.09628	9.5
127.03924	6.8
128.06178	6.6
129.05522	2.6
129.07007	26.7
130.07802	2.8
131.08572	49.2
133.06459	2.9
133.10135	56.4
135.08054	6.9
135.11685	25.1
135.28903	1.4
137.05949	2.0
137.09589	3.8
137.13306	2.0
139.11194	2.6
141.06985	9.1
142.07741	3.8
143.08559	24.3
144.09346	1.7
145.04971	3.3
145.06435	2.0
145.10117	45.9
147.08031	4.3
147.11688	41.4
149.09615	13.0
149.13264	14.4
151.11162	6.4
153.06993	2.5
154.07793	2.6
155.08548	16.0
156.09358	1.8
157.06500	1.5
157.10126	25.2
158.10818	1.8
159.08075	2.8
159.10449	2.5
159.11694	34.8
161.09624	5.3
161.13258	25.9
163.11133	9.7
163.14798	4.4
165.07043	2.9
165.09106	1.9
165.12651	2.5
166.07774	2.3
167.08556	7.6
168.09349	1.4
168.84743	1.2
169.06422	1.2
169.10103	15.1
170.10960	1.2
171.10297	1.9
171.11674	24.5
173.04463	3.3
173.09636	2.7
173.11778	3.0
173.13239	17.9
175.11188	4.4
175.14841	9.2
177.12801	3.2
179.08485	2.0
179.14279	2.1
181.10117	7.4
181.12250	1.2
182.10863	1.7
183.10229	1.8
183.11699	16.8
184.07359	1.1
185.09689	2.7
185.13248	15.3
187.11111	1.9
187.13300	1.9
187.14813	7.0
189.11185	3.9
189.12730	3.4
189.16348	2.4
193.10229	1.8
193.12166	1.9
195.11682	10.6
195.13554	2.2
197.09746	1.7
197.13266	12.9
198.13921	1.6
199.11244	1.8
199.14827	10.3
201.16388	4.1
203.14334	2.0
205.12093	1.6
207.11697	3.2
209.13306	7.9
211.11082	1.8
211.14818	7.7
213.12683	2.2
213.14597	1.2
213.16454	6.3
215.14384	1.4
215.17851	2.9
217.15904	2.0
219.11710	1.7
221.13324	3.2
223.11125	1.2
223.14833	6.5
225.16415	4.7
227.12663	6.0
227.18013	2.4
229.14368	5.5
229.19537	3.1
231.17429	1.9
231.21176	5.2
235.14911	2.3
237.16354	4.2
239.17911	4.9
241.19557	19.8
245.19072	1.3
249.16425	2.4
251.18115	2.7
255.15759	6.3
257.18979	7.9
259.20587	53.0
261.22168	2.7
263.17947	1.8
265.19608	1.9
267.15887	4.5
269.17404	12.8
273.18497	4.3
275.20044	24.6
277.21802	3.0
283.20480	2.1
285.22083	1.6
287.20102	1.8
289.21695	1.8
295.20575	2.1
297.22043	3.5
301.21661	3.8
311.23639	1.5
313.21487	1.9
315.23080	7.4
321.22049	2.4
323.23599	1.6
325.21552	2.6
325.25226	1.6
327.23199	2.5
331.22836	3.1
333.24261	53.8
335.25726	4.0
339.23016	2.7
347.22311	1.5
349.23792	24.3
351.25436	1.8
355.26331	1.4
363.26550	1.4
365.24240	1.4
365.28366	3.3
367.24738	5.3
383.29395	1.9
385.23654	1.3
403.24652	1.6
403.29980	1.5
417.31479	2.3
421.31049	3.7
435.32959	6.1
439.32239	1.6
453.33713	6.1
457.33026	1.4
459.32211	1.5
471.34448	1.7
473.33319	1.5
485.32278	1.5
487.33936	3.4
489.35574	3.2
495.34796	3.1
497.37381	1.5
501.35287	3.6
505.34891	1.9
509.36179	5.1
513.35797	36.9
515.38300	7.5
525.35266	2.0
527.37360	62.3
531.36682	5.4
533.40070	7.7
543.36230	2.8
545.38330	11.6
551.40930	4.6
567.40137	1.8
589.42188	2.7
597.45050	1.8
607.43573	71.6
623.41174	1.8
625.44617	68.9
626.45380	2.0
629.36554	1.4
635.39532	3.0
643.45447	2.2
649.43567	1.6
653.40094	2.8
664.96149	1.4
671.41351	4.7
678.47998	1.6
689.42413	7.5
715.45410	1.6
733.46069	3.9
751.47607	2.9
769.48224	4.8
787.50189	2.3
1002.57172	4.9
1038.04138	1.3
END